TY - THES A1 - Zabel, Volkmar ED - Könke, Carsten ED - Lahmer, Tom ED - Rabczuk, Timon T1 - Operational modal analysis - Theory and aspects of application in civil engineering N2 - In recent years the demand on dynamic analyses of existing structures in civil engineering has remarkably increased. These analyses are mainly based on numerical models. Accordingly, the generated results depend on the quality of the used models. Therefore it is very important that the models describe the considered systems such that the behaviour of the physical structure is realistically represented. As any model is based on assumptions, there is always a certain degree of uncertainty present in the results of a simulation based on the respective numerical model. To minimise these uncertainties in the prediction of the response of a structure to a certain loading, it has become common practice to update or calibrate the parameters of a numerical model based on observations of the structural behaviour of the respective existing system. The determination of the behaviour of an existing structure requires experimental investigations. If the numerical analyses concern the dynamic response of a structure it is sensible to direct the experimental investigations towards the identification of the dynamic structural behaviour which is determined by the modal parameters of the system. In consequence, several methods for the experimental identification of modal parameters have been developed since the 1980ies. Due to various technical restraints in civil engineering which limit the possibilities to excitate a structure with economically reasonable effort, several methods have been developed that allow a modal identification form tests with an ambient excitation. The approach of identifying modal parameters only from measurements of the structural response without precise knowledge of the excitation is known as output-only or operational modal analysis. Since operational modal analysis (OMA) can be considered as a link between numerical modelling and simulation on the one hand and the dynamic behaviour of an existing structure on the other hand, the respective algorithms connect both the concepts of structural dynamics and mathematical tools applied within the processing of experimental data. Accordingly, the related theoretical topics are revised after an introduction into the topic. Several OMA methods have been developed over the last decades. The most established algorithms are presented here and their application is illustrated by means of both a small numerical and an experimental example. Since experimentally obtained results always underly manifold influences, an appropriate postprocessing of the results is necessary for a respective quality assessment. This quality assessment does not only require respective indicators but should also include the quantification of uncertainties. One special feature in modal testing is that it is common to instrument the structure in different sensor setups to improve the spacial resolution of identified mode shapes. The modal information identified from tests in several setups needs to be merged a posteriori. Algorithms to cope with this problem are also presented. Due to the fact that the amount of data generated in modal tests can become very large, manual processing can become extremely expensive or even impossible, for example in the case of a long-term continuous structural monitoring. In these situations an automated analysis and postprocessing are essential. Descriptions of respective methodologies are therefore also included in this work. Every structural system in civil engineering is unique and so also every identification of modal parameters has its specific challenges. Some aspects that can be faced in practical applications of operational modal analysis are presented and discussed in a chapter that is dedicated specific problems that an analyst may have to overcome. Case studies of systems with very close modes, with limited accessibility as well as the application of different OMA methods are described and discussed. In this context the focus is put on several types of uncertainty that may occur in the multiple stages of an operational modal analysis. In literature only very specific uncertainties at certain stages of the analysis are addressed. Here, the topic of uncertainties has been considered in a broader sense and approaches for treating respective problems are suggested. Eventually, it is concluded that the methodologies of operatinal modal analysis and related technical solutions have been well-engineered already. However, as in any discipline that includes experiments, a certain degree of uncertainty always remains in the results. From these conclusions has been derived a demand for further research and development that should be directed towards the minimisation of these uncertainties and to a respective optimisation of the steps and corresponding parameters included in an operational modal analysis. T3 - ISM-Bericht // Institut für Strukturmechanik, Bauhaus-Universität Weimar - 2019,5 KW - Modalanalyse KW - Strukturdynamik KW - Operational modal analysis KW - modal analysis KW - structural dynamics Y1 - 2019 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:gbv:wim2-20191030-40061 ER - TY - THES A1 - Hamdia, Khader T1 - On the fracture toughness of polymeric nanocomposites: Comprehensive stochastic and numerical studies N2 - Polymeric nanocomposites (PNCs) are considered for numerous nanotechnology such as: nano-biotechnology, nano-systems, nanoelectronics, and nano-structured materials. Commonly , they are formed by polymer (epoxy) matrix reinforced with a nanosized filler. The addition of rigid nanofillers to the epoxy matrix has offered great improvements in the fracture toughness without sacrificing other important thermo-mechanical properties. The physics of the fracture in PNCs is rather complicated and is influenced by different parameters. The presence of uncertainty in the predicted output is expected as a result of stochastic variance in the factors affecting the fracture mechanism. Consequently, evaluating the improved fracture toughness in PNCs is a challenging problem. Artificial neural network (ANN) and adaptive neuro-fuzzy inference system (ANFIS) have been employed to predict the fracture energy of polymer/particle nanocomposites. The ANN and ANFIS models were constructed, trained, and tested based on a collection of 115 experimental datasets gathered from the literature. The performance evaluation indices of the developed ANN and ANFIS showed relatively small error, with high coefficients of determination (R2), and low root mean square error and mean absolute percentage error. In the framework for uncertainty quantification of PNCs, a sensitivity analysis (SA) has been conducted to examine the influence of uncertain input parameters on the fracture toughness of polymer/clay nanocomposites (PNCs). The phase-field approach is employed to predict the macroscopic properties of the composite considering six uncertain input parameters. The efficiency, robustness, and repeatability are compared and evaluated comprehensively for five different SA methods. The Bayesian method is applied to develop a methodology in order to evaluate the performance of different analytical models used in predicting the fracture toughness of polymeric particles nanocomposites. The developed method have considered the model and parameters uncertainties based on different reference data (experimental measurements) gained from the literature. Three analytical models differing in theory and assumptions were examined. The coefficients of variation of the model predictions to the measurements are calculated using the approximated optimal parameter sets. Then, the model selection probability is obtained with respect to the different reference data. Stochastic finite element modeling is implemented to predict the fracture toughness of polymer/particle nanocomposites. For this purpose, 2D finite element model containing an epoxy matrix and rigid nanoparticles surrounded by an interphase zone is generated. The crack propagation is simulated by the cohesive segments method and phantom nodes. Considering the uncertainties in the input parameters, a polynomial chaos expansion (PCE) surrogate model is construed followed by a sensitivity analysis. T3 - ISM-Bericht // Institut für Strukturmechanik, Bauhaus-Universität Weimar - 2018,4 KW - Bruch KW - Unsicherheit KW - Rissausbreitung KW - Bayes KW - Sensitivitätsanalyse KW - Fracture mechanics KW - Uncertainty analysis KW - Polymer nanocomposites KW - Bayesian method KW - Phase-field modeling Y1 - 2018 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:gbv:wim2-20180712-37652 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 - Unger, Jörg F. T1 - Neural networks in a multiscale approach for concrete N2 - From a macroscopic point of view, failure within concrete structures is characterized by the initiation and propagation of cracks. In the first part of the thesis, a methodology for macroscopic crack growth simulations for concrete structures using a cohesive discrete crack approach based on the extended finite element method is introduced. Particular attention is turned to the investigation of criteria for crack initiation and crack growth. A drawback of the macroscopic simulation is that the real physical phenomena leading to the nonlinear behavior are only modeled phenomenologically. For concrete, the nonlinear behavior is characterized by the initiation of microcracks which coalesce into macroscopic cracks. In order to obtain a higher resolution of this failure zones, a mesoscale model for concrete is developed that models particles, mortar matrix and the interfacial transition zone (ITZ) explicitly. The essential features are a representation of particles using a prescribed grading curve, a material formulation based on a cohesive approach for the ITZ and a combined model with damage and plasticity for the mortar matrix. Compared to numerical simulations, the response of real structures exhibits a stochastic scatter. This is e.g. due to the intrinsic heterogeneities of the structure. For mesoscale models, these intrinsic heterogeneities are simulated by using a random distribution of particles and by a simulation of spatially variable material parameters using random fields. There are two major problems related to numerical simulations on the mesoscale. First of all, the material parameters for the constitutive description of the materials are often difficult to measure directly. In order to estimate material parameters from macroscopic experiments, a parameter identification procedure based on Bayesian neural networks is developed which is universally applicable to any parameter identification problem in numerical simulations based on experimental results. This approach offers information about the most probable set of material parameters based on experimental data and information about the accuracy of the estimate. Consequently, this approach can be used a priori to determine a set of experiments to be carried out in order to fit the parameters of a numerical model to experimental data. The second problem is the computational effort required for mesoscale simulations of a full macroscopic structure. For this purpose, a coupling between mesoscale and macroscale model is developed. Representative mesoscale simulations are used to train a metamodel that is finally used as a constitutive model in a macroscopic simulation. Special focus is placed on the ability of appropriately simulating unloading. N2 - Makroskopisch betrachtet kann das Versagen von Beton durch die Entstehung und das Wachstum von Rissen beschrieben werden. Im ersten Teil der Arbeit wird eine Methode zur Simulation der makroskopischen Rissentwicklung von Beton unter Verwendung von kohäsiven diskreten Rissen basierend auf der erweiterten Finiten Elemente Methode vorgestellt. Besondere Bedeutung liegt dabei auf der Untersuchung von Kriterien zur Rissentstehung und zum Risswachstum. Ein Nachteil von makroskopischen Simulationen liegt in der nur phänomenologischen Berücksichtigung der tatsächlichen Vorgänge. Nichtlineares Verhalten von Beton ist durch die Entstehung von Mikrorissen gekennzeichnet, die bei weiterer Belastung zu makroskopischen Rissen zusammenwachsen. Um die Versagenszone realitätsnah abbilden zu können, wurde ein Mesoskalenmodell von Beton entwickelt, welches Zuschläge, Matrix und Übergangszone zwischen beiden Materialien (ITZ) direkt abbildet. Hauptmerkmal sind die Simulation der Zuschläge nach einer Sieblinie, eine kohäsive Materialformulierung der ITZ und ein kombiniertes Model aus Schädigung und Plastizität für das Matrixmaterial. Im Gegensatz zu numerischen Simulationen ist die Systemantwort reeller Strukturen eine unscharfe Größe. Dies liegt u.a. an Heterogenitäten innerhalb der Struktur, die im Rahmen der Arbeit durch eine zufällige Verteilung der Zuschläge und über räumlich variierende Materialparameter unter Verwendung von Zufallsfeldern simuliert werden. Zwei Hauptprobleme sind bei den Mesoskalensimulationen aufgetreten. Einerseits sind Materialparameter auf der Mesoskala oft schwer zu bestimmen. Deswegen wurde eine Methode basierend auf Bayes neuronalen Netzen entwickelt, die eine Parameteridentifikation unter Verwendung von makroskopischen Versuchen erlaubt. Diese Methode ist aber universell anwendbar auf alle Parameteridentifikationsprobleme in numerischen Simulationen basierend auf experimentellen Daten. Der Ansatz liefert sowohl Informationen über den wahrscheinlichsten Parametersatz des Models zur numerischen Simulation eines Experiments als auch eine Einschätzung der Genauigkeit dieses Schätzers. Die Methode kann auch verwendet werden, um a priori einen Satz von Experimenten auszuwählen der notwendig ist, um die Parameter eines numerischen Modells zu bestimmen. Ein zweites Problem ist der numerische Aufwand von Mesoskalensimulationen für makroskopische Strukturen. Aus diesem Grund wurde eine Kopplungsstrategie zwischen Meso- und Makromodell entwickelt, bei dem repräsentative Simulationen auf der Mesoebene verwendet werden, um ein Metamodell zu generieren, welches dann die Materialformulierung in einer makroskopischen Simulation darstellt. Ein Fokus liegt dabei auf der korrekten Abbildung von Entlastungen. T2 - Neuronale Netze in einem Multiskalenansatz für Beton T3 - ISM-Bericht // Institut für Strukturmechanik, Bauhaus-Universität Weimar - 2009,1 KW - Beton KW - Mehrskalenmodell KW - Mehrskalenanalyse KW - Neuronales Netz KW - Monte-Carlo-Simulation KW - Simulation KW - Monte-Carlo-Integration KW - Kontinuierliche Simul KW - Bayes neuronale Netze KW - Parameteridentification KW - Bayesian neural networks KW - parameter identification Y1 - 2009 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:gbv:wim2-20090626-14763 ER - TY - THES A1 - Wang, Cuixia T1 - Nanomechanical Resonators Based on Quasi-two-dimensional Materials N2 - Advances in nanotechnology lead to the development of nano-electro-mechanical systems (NEMS) such as nanomechanical resonators with ultra-high resonant frequencies. The ultra-high-frequency resonators have recently received significant attention for wide-ranging applications such as molecular separation, molecular transportation, ultra-high sensitive sensing, high-frequency signal processing, and biological imaging. It is well known that for micrometer length scale, first-principles technique, the most accurate approach, poses serious limitations for comparisons with experimental studies. For such larger size, classical molecular dynamics (MD) simulations are desirable, which require interatomic potentials. Additionally, a mesoscale method such as the coarse-grained (CG) method is another useful method to support simulations for even larger system sizes. Furthermore, quasi-two-dimensional (Q2D) materials have attracted intensive research interest due to their many novel properties over the past decades. However, the energy dissipation mechanisms of nanomechanical resonators based on several Q2D materials are still unknown. In this work, the addressed main issues include the development of the CG models for molybdenum disulphide (MoS2), investigation of the mechanism effects on black phosphorus (BP) nanoresonators and the application of graphene nanoresonators. The primary coverage and results of the dissertation are as follows: Method development. Firstly, a two-dimensional (2D) CG model for single layer MoS2 (SLMoS2) is analytically developed. The Stillinger-Weber (SW) potential for this 2D CG model is further parametrized, in which all SW geometrical parameters are determined analytically according to the equilibrium condition for each individual potential term, while the SW energy parameters are derived analytically based on the valence force field model. Next, the 2D CG model is further simplified to one-dimensional (1D) CG model, which describes the 2D SLMoS2 structure using a 1D chain model. This 1D CG model is applied to investigate the relaxed configuration and the resonant oscillation of the folded SLMoS2. Owning to the simplicity nature of the 1D CG model, the relaxed configuration of the folded SLMoS2 is determined analytically, and the resonant oscillation frequency is derived analytically. Considering the increasing interest in studying the properties of other 2D layered materials, and in particular those in the semiconducting transition metal dichalcogenide class like MoS2, the CG models proposed in current work provide valuable simulation approaches. Mechanism understanding. Two energy dissipation mechanisms of BP nanoresonators are focused exclusively, i.e. mechanical strain effects and defect effects (including vacancy and oxidation). Vacancy defect is intrinsic damping factor for the quality (Q)-factor, while mechanical strain and oxidation are extrinsic damping factors. Intrinsic dissipation (induced by thermal vibrations) in BP resonators (BPRs) is firstly investigated. Specifically, classical MD simulations are performed to examine the temperature dependence for the Q-factor of the single layer BPR (SLBPR) along the armchair and zigzag directions, where two-step fitting procedure is used to extract the frequency and Q-factor from the kinetic energy time history. The Q-factors of BPRs are evaluated through comparison with those of graphene and MoS2 nanoresonators. Next, effects of mechanical strain, vacancy and oxidation on BP nanoresonators are investigated in turn. Considering the increasing interest in studying the properties of BP, and in particular the lack of theoretical study for the BPRs, the results in current work provide a useful reference. Application. A novel application for graphene nanoresonators, using them to self-assemble small nanostructures such as water chains, is proposed. All of the underlying physics enabling this phenomenon is elucidated. In particular, by drawing inspiration from macroscale self-assembly using the higher order resonant modes of Chladni plates, classical MD simulations are used to investigate the self-assembly of water molecules using graphene nanoresonators. An analytic formula for the critical resonant frequency based on the interaction between water molecules and graphene is provided. Furthermore, the properties of the water chains assembled by the graphene nanoresonators are studied. T3 - ISM-Bericht // Institut für Strukturmechanik, Bauhaus-Universität Weimar - 2018,3 KW - Nanomechanik KW - Resonator KW - Nanomechanical Resonators Y1 - 2018 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:gbv:wim2-20180709-37609 ER - TY - THES A1 - Zhao, Jun-Hua T1 - Multiscale modeling of nanodevices based on carbon nanotubes and polymers T1 - Multiskalige Modellierung von auf Kohlenstoffnanoröhren und Polymeren basierenden Nanobauteilen N2 - This thesis concerns the physical and mechanical interactions on carbon nanotubes and polymers by multiscale modeling. CNTs have attracted considerable interests in view of their unique mechanical, electronic, thermal, optical and structural properties, which enable them to have many potential applications. Carbon nanotube exists in several structure forms, from individual single-walled carbon nanotubes (SWCNTs) and multi-walled carbon nanotubes (MWCNTs) to carbon nanotube bundles and networks. The mechanical properties of SWCNTs and MWCNTs have been extensively studied by continuum modeling and molecular dynamics (MD) simulations in the past decade since the properties could be important in the CNT-based devices. CNT bundles and networks feature outstanding mechanical performance and hierarchical structures and network topologies, which have been taken as a potential saving-energy material. In the synthesis of nanocomposites, the formation of the CNT bundles and networks is a challenge to remain in understanding how to measure and predict the properties of such large systems. Therefore, a mesoscale method such as a coarse-grained (CG) method should be developed to study the nanomechanical characterization of CNT bundles and networks formation. In this thesis, the main contributions can be written as follows: (1) Explicit solutions for the cohesive energy between carbon nanotubes, graphene and substrates are obtained through continuum modeling of the van der Waals interaction between them. (2) The CG potentials of SWCNTs are established by a molecular mechanics model. (3) The binding energy between two parallel and crossing SWCNTs and MWCNTs is obtained by continuum modeling of the van der Waals interaction between them. Crystalline and amorphous polymers are increasingly used in modern industry as tructural materials due to its important mechanical and physical properties. For crystalline polyethylene (PE), despite its importance and the studies of available MD simulations and continuum models, the link between molecular and continuum descriptions of its mechanical properties is still not well established. For amorphous polymers, the chain length and temperature effect on their elastic and elastic-plastic properties has been reported based on the united-atom (UA) and CG MD imulations in our previous work. However, the effect of the CL and temperature on the failure behavior is not understood well yet. Especially, the failure behavior under shear has been scarcely reported in previous work. Therefore, understanding the molecular origins of macroscopic fracture behavior such as fracture energy is a fundamental scientific challenge. In this thesis, the main contributions can be written as follows: (1) An analytical molecular mechanics model is developed to obtain the size-dependent elastic properties of crystalline PE. (2) We show that the two molecular mechanics models, the stick-spiral and the beam models, predict considerably different mechanical properties of materials based on energy equivalence. The difference between the two models is independent of the materials. (3) The tensile and shear failure behavior dependence on chain length and temperature in amorphous polymers are scrutinized using molecular dynamics simulations. Finally, the influence of polymer wrapped two neighbouring SWNTs’ dispersion on their load transfer is investigated by molecular dynamics (MD) simulations, in which the SWNTs' position, the polymer chain length and the temperature on the interaction force is systematically studied. T3 - ISM-Bericht // Institut für Strukturmechanik, Bauhaus-Universität Weimar - 2014,1 KW - Mehrskalenmodell KW - Kohlenstoff Nanoröhre KW - Polymere KW - Multiscale modeling KW - Carbon nanotubes KW - Polymers Y1 - 2014 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:gbv:wim2-20140130-21078 ER - TY - THES A1 - Keßler, Andrea T1 - Matrix-free voxel-based finite element method for materials with heterogeneous microstructures T1 - Matrixfreie voxelbasierte Finite-Elemente-Methode für Materialien mit komplizierter Mikrostruktur N2 - Modern image detection techniques such as micro computer tomography (μCT), magnetic resonance imaging (MRI) and scanning electron microscopy (SEM) provide us with high resolution images of the microstructure of materials in a non-invasive and convenient way. They form the basis for the geometrical models of high-resolution analysis, so called image-based analysis. However especially in 3D, discretizations of these models reach easily the size of 100 Mill. degrees of freedoms and require extensive hardware resources in terms of main memory and computing power to solve the numerical model. Consequently, the focus of this work is to combine and adapt numerical solution methods to reduce the memory demand first and then the computation time and therewith enable an execution of the image-based analysis on modern computer desktops. Hence, the numerical model is a straightforward grid discretization of the voxel-based (pixels with a third dimension) geometry which omits the boundary detection algorithms and allows reduced storage of the finite element data structure and a matrix-free solution algorithm. This in turn reduce the effort of almost all applied grid-based solution techniques and results in memory efficient and numerically stable algorithms for the microstructural models. Two variants of the matrix-free algorithm are presented. The efficient iterative solution method of conjugate gradients is used with matrix-free applicable preconditioners such as the Jacobi and the especially suited multigrid method. The jagged material boundaries of the voxel-based mesh are smoothed through embedded boundary elements which contain different material information at the integration point and are integrated sub-cell wise though without additional boundary detection. The efficiency of the matrix-free methods can be retained. N2 - Moderne bildgebende Verfahren wie Mikro-Computertomographie (μCT), Magnetresonanztomographie (MRT) und Rasterelektronenmikroskopie (SEM) liefern nicht-invasiv hochauflösende Bilder der Mikrostruktur von Materialien. Sie bilden die Grundlage der geometrischen Modelle der hochauflösenden bildbasierten Analysis. Allerdings erreichen vor allem in 3D die Diskretisierungen dieser Modelle leicht die Größe von 100 Mill. Freiheitsgraden und erfordern umfangreiche Hardware-Ressourcen in Bezug auf Hauptspeicher und Rechenleistung, um das numerische Modell zu lösen. Der Fokus dieser Arbeit liegt daher darin, numerische Lösungsmethoden zu kombinieren und anzupassen, um den Speicherplatzbedarf und die Rechenzeit zu reduzieren und damit eine Ausführung der bildbasierten Analyse auf modernen Computer-Desktops zu ermöglichen. Daher ist als numerisches Modell eine einfache Gitterdiskretisierung der voxelbasierten (Pixel mit der Tiefe als dritten Dimension) Geometrie gewählt, die die Oberflächenerstellung weglässt und eine reduzierte Speicherung der finiten Elementen und einen matrixfreien Lösungsalgorithmus ermöglicht. Dies wiederum verringert den Aufwand von fast allen angewandten gitterbasierten Lösungsverfahren und führt zu Speichereffizienz und numerisch stabilen Algorithmen für die Mikrostrukturmodelle. Es werden zwei Varianten der Anpassung der matrixfreien Lösung präsentiert, die Element-für-Element Methode und eine Knoten-Kanten-Variante. Die Methode der konjugierten Gradienten in Kombination mit dem Mehrgitterverfahren als sehr effizienten Vorkonditionierer wird für den matrixfreien Lösungsalgorithmus adaptiert. Der stufige Verlauf der Materialgrenzen durch die voxelbasierte Diskretisierung wird durch Elemente geglättet, die am Integrationspunkt unterschiedliche Materialinformationen enthalten und über Teilzellen integriert werden (embedded boundary elements). Die Effizienz der matrixfreien Verfahren bleibt erhalten. T3 - ISM-Bericht // Institut für Strukturmechanik, Bauhaus-Universität Weimar - 2018,7 KW - Dissertation KW - Finite-Elemente-Methode KW - Konjugierte-Gradienten-Methode KW - Mehrgitterverfahren KW - conjugate gradient method KW - multigrid method KW - grid-based KW - finite element method KW - matrix-free Y1 - 2018 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:gbv:wim2-20190116-38448 ER - TY - THES A1 - Schwedler, Michael T1 - Integrated structural analysis using isogeometric finite element methods N2 - The gradual digitization in the architecture, engineering, and construction industry over the past fifty years led to an extremely heterogeneous software environment, which today is embodied by the multitude of different digital tools and proprietary data formats used by the many specialists contributing to the design process in a construction project. Though these projects become increasingly complex, the demands on financial efficiency and the completion within a tight schedule grow at the same time. The digital collaboration of project partners has been identified as one key issue in successfully dealing with these challenges. Yet currently, the numerous software applications and their respective individual views on the design process severely impede that collaboration. An approach to establish a unified basis for the digital collaboration, regardless of the existing software heterogeneity, is a comprehensive digital building model contributed to by all projects partners. This type of data management known as building information modeling (BIM) has many benefits, yet its adoption is associated with many difficulties and thus, proceeds only slowly. One aspect in the field of conflicting requirements on such a digital model is the cooperation of architects and structural engineers. Traditionally, these two disciplines use different abstractions of reality for their models that in consequence lead to incompatible digital representations thereof. The onset of isogeometric analysis (IGA) promised to ease the discrepancy in design and analysis model representations. Yet, that initial focus quickly shifted towards using these methods as a more powerful basis for numerical simulations. Furthermore, the isogeometric representation alone is not capable of solving the model abstraction problem. It is thus the intention of this work to contribute to an improved digital collaboration of architects and engineers by exploring an integrated analysis approach on the basis of an unified digital model and solid geometry expressed by splines. In the course of this work, an analysis framework is developed that utilizes such models to automatically conduct numerical simulations commonly required in construction projects. In essence, this allows to retrieve structural analysis results from BIM models in a fast and simple manner, thereby facilitating rapid design iterations and profound design feedback. The BIM implementation Industry Foundation Classes (IFC) is reviewed with regard to its capabilities of representing the unified model. The current IFC schema strongly supports the use of redundant model data, a major pitfall in digital collaboration. Additionally, it does not allow to describe the geometry by volumetric splines. As the pursued approach builds upon a unique model for both, architectural and structural design, and furthermore requires solid geometry, necessary schema modifications are suggested. Structural entities are modeled by volumetric NURBS patches, each of which constitutes an individual subdomain that, with regard to the analysis, is incompatible with the remaining full model. The resulting consequences for numerical simulation are elaborated in this work. The individual subdomains have to be weakly coupled, for which the mortar method is used. Different approaches to discretize the interface traction fields are implemented and their respective impact on the analysis results is evaluated. All necessary coupling conditions are automatically derived from the related geometry model. The weak coupling procedure leads to a linear system of equations in saddle point form, which, owed to the volumetric modeling, is large in size and, the associated coefficient matrix has, due to the use of higher degree basis functions, a high bandwidth. The peculiarities of the system require adapted solution methods that generally cause higher numerical costs than the standard procedures for symmetric, positive-definite systems do. Different methods to solve the specific system are investigated and an efficient parallel algorithm is finally proposed. When the structural analysis model is derived from the unified model in the BIM data, it does in general initially not meet the requirements on the discretization that are necessary to obtain sufficiently accurate analysis results. The consequently necessary patch refinements must be controlled automatically to allowfor an entirely automatic analysis procedure. For that purpose, an empirical refinement scheme based on the geometrical and possibly mechanical properties of the specific entities is proposed. The level of refinement may be selectively manipulated by the structural engineer in charge. Furthermore, a Zienkiewicz-Zhu type error estimator is adapted for the use with isogeometric analysis results. It is shown that also this estimator can be used to steer an adaptive refinement procedure. T3 - ISM-Bericht // Institut für Strukturmechanik, Bauhaus-Universität Weimar - 2016,2 KW - Finite-Elemente-Methode KW - NURBS KW - Isogeometrische Analyse KW - finite element method KW - isogeometric analysis KW - mortar method KW - building information modelling Y1 - 2017 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:gbv:wim2-20170130-27372 ER - TY - THES A1 - Abeltshauser, Rainer T1 - Identification and separation of physical effects of coupled systems by using defined model abstractions N2 - The thesis investigates at the computer aided simulation process for operational vibration analysis of complex coupled systems. As part of the internal methods project “Absolute Values” of the BMW Group, the thesis deals with the analysis of the structural dynamic interactions and excitation interactions. The overarching aim of the methods project is to predict the operational vibrations of engines. Simulations are usually used to analyze technical aspects (e. g. operational vibrations, strength, ...) of single components in the industrial development. The boundary conditions of submodels are mostly based on experiences. So the interactions with neighboring components and systems are neglected. To get physically more realistic results but still efficient simulations, this work wants to support the engineer during the preprocessing phase by useful criteria. At first suitable abstraction levels based on the existing literature are defined to identify structural dynamic interactions and excitation interactions of coupled systems. So it is possible to separate different effects of the coupled subsystems. On this basis, criteria are derived to assess the influence of interactions between the considered systems. These criteria can be used during the preprocessing phase and help the engineer to build up efficient models with respect to the interactions with neighboring systems. The method was developed by using several models with different complexity levels. Furthermore, the method is proved for the application in the industrial environment by using the example of a current combustion engine. T2 - Identifikation und Separation physikalischer Effekte von gekoppelten Systemen mittels definierter Modellabstraktionen T3 - ISM-Bericht // Institut für Strukturmechanik, Bauhaus-Universität Weimar - 2017,1 KW - Strukturdynamik KW - Wechselwirkung KW - Schwingung KW - Berechnung KW - Numerische Berechnung KW - Modellbildung KW - Schwingungsanalyse KW - Simulationsprozess Y1 - 2017 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:gbv:wim2-20170314-28600 ER - TY - THES A1 - Schrader, Kai T1 - Hybrid 3D simulation methods for the damage analysis of multiphase composites T1 - Hybride 3D Simulationsmethoden zur Abbildung der Schädigungsvorgänge in Mehrphasen-Verbundwerkstoffen N2 - Modern digital material approaches for the visualization and simulation of heterogeneous materials allow to investigate the behavior of complex multiphase materials with their physical nonlinear material response at various scales. However, these computational techniques require extensive hardware resources with respect to computing power and main memory to solve numerically large-scale discretized models in 3D. Due to a very high number of degrees of freedom, which may rapidly be increased to the two-digit million range, the limited hardware ressources are to be utilized in a most efficient way to enable an execution of the numerical algorithms in minimal computation time. Hence, in the field of computational mechanics, various methods and algorithms can lead to an optimized runtime behavior of nonlinear simulation models, where several approaches are proposed and investigated in this thesis. Today, the numerical simulation of damage effects in heterogeneous materials is performed by the adaption of multiscale methods. A consistent modeling in the three-dimensional space with an appropriate discretization resolution on each scale (based on a hierarchical or concurrent multiscale model), however, still contains computational challenges in respect to the convergence behavior, the scale transition or the solver performance of the weak coupled problems. The computational efficiency and the distribution among available hardware resources (often based on a parallel hardware architecture) can significantly be improved. In the past years, high-performance computing (HPC) and graphics processing unit (GPU) based computation techniques were established for the investigationof scientific objectives. Their application results in the modification of existing and the development of new computational methods for the numerical implementation, which enables to take advantage of massively clustered computer hardware resources. In the field of numerical simulation in material science, e.g. within the investigation of damage effects in multiphase composites, the suitability of such models is often restricted by the number of degrees of freedom (d.o.f.s) in the three-dimensional spatial discretization. This proves to be difficult for the type of implementation method used for the nonlinear simulation procedure and, simultaneously has a great influence on memory demand and computational time. In this thesis, a hybrid discretization technique has been developed for the three-dimensional discretization of a three-phase material, which is respecting the numerical efficiency of nonlinear (damage) simulations of these materials. The increase of the computational efficiency is enabled by the improved scalability of the numerical algorithms. Consequently, substructuring methods for partitioning the hybrid mesh were implemented, tested and adapted to the HPC computing framework using several hundred CPU (central processing units) nodes for building the finite element assembly. A memory-efficient iterative and parallelized equation solver combined with a special preconditioning technique for solving the underlying equation system was modified and adapted to enable combined CPU and GPU based computations. Hence, it is recommended by the author to apply the substructuring method for hybrid meshes, which respects different material phases and their mechanical behavior and which enables to split the structure in elastic and inelastic parts. However, the consideration of the nonlinear material behavior, specified for the corresponding phase, is limited to the inelastic domains only, and by that causes a decreased computing time for the nonlinear procedure. Due to the high numerical effort for such simulations, an alternative approach for the nonlinear finite element analysis, based on the sequential linear analysis, was implemented in respect to scalable HPC. The incremental-iterative procedure in finite element analysis (FEA) during the nonlinear step was then replaced by a sequence of linear FE analysis when damage in critical regions occured, known in literature as saw-tooth approach. As a result, qualitative (smeared) crack initiation in 3D multiphase specimens has efficiently been simulated. T3 - ISM-Bericht // Institut für Strukturmechanik, Bauhaus-Universität Weimar - 2013,2 KW - high-performance computing KW - finite element method KW - heterogeneous material KW - domain decomposition KW - scalable smeared crack analysis KW - FEM KW - multiphase KW - damage KW - HPC KW - solver Y1 - 2012 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:gbv:wim2-20131021-20595 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 - Vollmering, Max T1 - Damage Localization of Mechanical Structures by Subspace Identification and Krein Space Based H-infinity Estimation N2 - This dissertation is devoted to the theoretical development and experimental laboratory verification of a new damage localization method: The state projection estimation error (SP2E). This method is based on the subspace identification of mechanical structures, Krein space based H-infinity estimation and oblique projections. To explain method SP2E, several theories are discussed and laboratory experiments have been conducted and analysed. A fundamental approach of structural dynamics is outlined first by explaining mechanical systems based on first principles. Following that, a fundamentally different approach, subspace identification, is comprehensively explained. While both theories, first principle and subspace identification based mechanical systems, may be seen as widespread methods, barely known and new techniques follow up. Therefore, the indefinite quadratic estimation theory is explained. Based on a Popov function approach, this leads to the Krein space based H-infinity theory. Subsequently, a new method for damage identification, namely SP2E, is proposed. Here, the introduction of a difference process, the analysis by its average process power and the application of oblique projections is discussed in depth. Finally, the new method is verified in laboratory experiments. Therefore, the identification of a laboratory structure at Leipzig University of Applied Sciences is elaborated. Then structural alterations are experimentally applied, which were localized by SP2E afterwards. In the end four experimental sensitivity studies are shown and discussed. For each measurement series the structural alteration was increased, which was successfully tracked by SP2E. The experimental results are plausible and in accordance with the developed theories. By repeating these experiments, the applicability of SP2E for damage localization is experimentally proven. T3 - ISM-Bericht // Institut für Strukturmechanik, Bauhaus-Universität Weimar - 2018,5 KW - Strukturmechanik KW - Schätztheorie Y1 - 2018 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:gbv:wim2-20180730-37728 ER - TY - THES A1 - ZHANG, CHAO T1 - Crack Identification using Dynamic Extended Finite Element Method and Thermal Conductivity Engineering for Nanomaterials N2 - Identification of flaws in structures is a critical element in the management of maintenance and quality assurance processes in engineering. Nondestructive testing (NDT) techniques based on a wide range of physical principles have been developed and are used in common practice for structural health monitoring. However, basic NDT techniques are usually limited in their ability to provide the accurate information on locations, dimensions and shapes of flaws. One alternative to extract additional information from the results of NDT is to append it with a computational model that provides detailed analysis of the physical process involved and enables the accurate identification of the flaw parameters. The aim here is to develop the strategies to uniquely identify cracks in two-dimensional 2D) structures under dynamic loadings. A local NDT technique combined eXtended Finite Element Method (XFEM) with dynamic loading in order to identify the cracks in the structures quickly and accurately is developed in this dissertation. The Newmark-b time integration method with Rayleigh damping is used for the time integration. We apply Nelder-Mead (NM)and Quasi-Newton (QN) methods for identifying the crack tip in plate. The inverse problem is solved iteratively, in which XFEM is used for solving the forward problem in each iteration. For a timeharmonic excitation with a single frequency and a short-duration signal measured along part of the external boundary, the crack is detected through the solution of an inverse time-dependent problem. Compared to the static load, we show that the dynamic loads are more effective for crack detection problems. Moreover, we tested different dynamic loads and find that NM method works more efficient under the harmonic load than the pounding load while the QN method achieves almost the same results for both load types. A global strategy, Multilevel Coordinate Search (MCS) with XFEM (XFEM-MCS) methodology under the dynamic electric load, to detect multiple cracks in 2D piezoelectric plates is proposed in this dissertation. The Newmark-b method is employed for the time integration and in each iteration the forward problem is solved by XFEM for various cracks. The objective functional is minimized by using a global search algorithm MCS. The test problems show that the XFEM-MCS algorithm under the dynamic electric load can be effectively employed for multiple cracks detection in piezoelectric materials, and it proves to be robust in identifying defects in piezoelectric structures. Fiber-reinforced composites (FRCs) are extensively applied in practical engineering since they have high stiffness and strength. Experiments reveal a so-called interphase zone, i.e. the space between the outside interface of the fiber and the inside interface of the matrix. The interphase strength between the fiber and the matrix strongly affects the mechanical properties as a result of the large ratio of interface/volume. For the purpose of understanding the mechanical properties of FRCs with functionally graded interphase (FGI), a closed-form expression of the interface strength between a fiber and a matrix is obtained in this dissertation using a continuum modeling approach according to the ver derWaals (vdW) forces. Based on the interatomic potential, we develop a new modified nonlinear cohesive law, which is applied to study the interface delamination of FRCs with FGI under different loadings. The analytical solutions show that the delamination behavior strongly depends on the interphase thickness, the fiber radius, the Young’s moduli and Poisson’s ratios of the fiber and the matrix. Thermal conductivity is the property of a material to conduct heat. With the development and deep research of 2D materials, especially graphene and molybdenum disulfide (MoS2), the thermal conductivity of 2D materials attracts wide attentions. The thermal conductivity of graphene nanoribbons (GNRs) is found to appear a tendency of decreasing under tensile strain by classical molecular dynamics (MD) simulations. Hence, the strain effects of graphene can play a key role in the continuous tunability and applicability of its thermal conductivity property at nanoscale, and the dissipation of thermal conductivity is an obstacle for the applications of thermal management. Up to now, the thermal conductivity of graphene under shear deformation has not been investigated yet. From a practical point of view, good thermal managements of GNRs have significantly potential applications of future GNR-based thermal nanodevices, which can greatly improve performances of the nanosized devices due to heat dissipations. Meanwhile, graphene is a thin membrane structure, it is also important to understand the wrinkling behavior under shear deformation. MoS2 exists in the stable semiconducting 1H phase (1H-MoS2) while the metallic 1T phase (1T-MoS2) is unstable at ambient conditions. As it’s well known that much attention has been focused on studying the nonlinear optical properties of the 1H-MoS2. In a very recent research, the 1T-type monolayer crystals of TMDCs, MX2 (MoS2, WS2 ...) was reported having an intrinsic in-plane negative Poisson’s ratio. Luckily, nearly at the same time, unprecedented long-term (>3months) air stability of the 1T-MoS2 can be achieved by using the donor lithium hydride (LiH). Therefore, it’s very important to study the thermal conductivity of 1T-MoS2. The thermal conductivity of graphene under shear strain is systematically studied in this dissertation by MD simulations. The results show that, in contrast to the dramatic decrease of thermal conductivity of graphene under uniaxial tensile, the thermal conductivity of graphene is not sensitive to the shear strain, and the thermal conductivity decreases only 12-16%. The wrinkle evolves when the shear strain is around 5%-10%, but the thermal conductivity barely changes. The thermal conductivities of single-layer 1H-MoS2(1H-SLMoS2) and single-layer 1T-MoS2 (1T-SLMoS2) with different sample sizes, temperatures and strain rates have been studied systematically in this dissertation. We find that the thermal conductivities of 1H-SLMoS2 and 1T-SLMoS2 in both the armchair and the zigzag directions increase with the increasing of the sample length, while the increase of the width of the sample has minor effect on the thermal conductions of these two structures. The thermal conductivity of 1HSLMoS2 is smaller than that of 1T-SLMoS2 under size effect. Furthermore, the temperature effect results show that the thermal conductivities of both 1H-SLMoS2 and 1T-SLMoS2 decrease with the increasing of the temperature. The thermal conductivities of 1HSLMoS2 and 1T-SLMoS2 are nearly the same (difference <6%) in both of the chiral orientations under corresponding temperatures, especially in the armchair direction (difference <2.8%). Moreover, we find that the strain effects on the thermal conductivity of 1HSLMoS2 and 1T-SLMoS2 are different. More specifically, the thermal conductivity decreases with the increasing tensile strain rate for 1T-SLMoS2, while fluctuates with the growth of the strain for 1HSLMoS2. Finally, we find that the thermal conductivity of same sized 1H-SLMoS2 is similar with that of the strained 1H-SLMoS2 structure. T3 - ISM-Bericht // Institut für Strukturmechanik, Bauhaus-Universität Weimar - 2018,6 KW - crack KW - Wärmeleitfähigkeit KW - crack identification KW - thermal conductivity Y1 - 2018 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:gbv:wim2-20190119-38478 ER - TY - THES A1 - Abu Bakar, Ilyani Akmar T1 - Computational Analysis of Woven Fabric Composites: Single- and Multi-Objective Optimizations and Sensitivity Analysis in Meso-scale Structures N2 - This study permits a reliability analysis to solve the mechanical behaviour issues existing in the current structural design of fabric structures. Purely predictive material models are highly desirable to facilitate an optimized design scheme and to significantly reduce time and cost at the design stage, such as experimental characterization. The present study examined the role of three major tasks; a) single-objective optimization, b) sensitivity analyses and c) multi-objective optimization on proposed weave structures for woven fabric composites. For single-objective optimization task, the first goal is to optimize the elastic properties of proposed complex weave structure under unit cells basis based on periodic boundary conditions. We predict the geometric characteristics towards skewness of woven fabric composites via Evolutionary Algorithm (EA) and a parametric study. We also demonstrate the effect of complex weave structures on the fray tendency in woven fabric composites via tightness evaluation. We utilize a procedure which does not require a numerical averaging process for evaluating the elastic properties of woven fabric composites. The fray tendency and skewness of woven fabrics depends upon the behaviour of the floats which is related to the factor of weave. Results of this study may suggest a broader view for further research into the effects of complex weave structures or may provide an alternative to the fray and skewness problems of current weave structure in woven fabric composites. A comprehensive study is developed on the complex weave structure model which adopts the dry woven fabric of the most potential pattern in singleobjective optimization incorporating the uncertainties parameters of woven fabric composites. The comprehensive study covers the regression-based and variance-based sensitivity analyses. The second task goal is to introduce the fabric uncertainties parameters and elaborate how they can be incorporated into finite element models on macroscopic material parameters such as elastic modulus and shear modulus of dry woven fabric subjected to uni-axial and biaxial deformations. Significant correlations in the study, would indicate the need for a thorough investigation of woven fabric composites under uncertainties parameters. The study describes here could serve as an alternative to identify effective material properties without prolonged time consumption and expensive experimental tests. The last part focuses on a hierarchical stochastic multi-scale optimization approach (fine-scale and coarse-scale optimizations) under geometrical uncertainties parameters for hybrid composites considering complex weave structure. The fine-scale optimization is to determine the best lamina pattern that maximizes its macroscopic elastic properties, conducted by EA under the following uncertain mesoscopic parameters: yarn spacing, yarn height, yarn width and misalignment of yarn angle. The coarse-scale optimization has been carried out to optimize the stacking sequences of symmetric hybrid laminated composite plate with uncertain mesoscopic parameters by employing the Ant Colony Algorithm (ACO). The objective functions of the coarse-scale optimization are to minimize the cost (C) and weight (W) of the hybrid laminated composite plate considering the fundamental frequency and the buckling load factor as the design constraints. Based on the uncertainty criteria of the design parameters, the appropriate variation required for the structural design standards can be evaluated using the reliability tool, and then an optimized design decision in consideration of cost can be subsequently determined. T3 - ISM-Bericht // Institut für Strukturmechanik, Bauhaus-Universität Weimar - 2020,1 KW - Verbundwerkstoff KW - Gewebeverbundwerkstoff KW - woven composites Y1 - 2020 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:gbv:wim2-20200605-41762 SN - 1610-7381 ER - TY - THES A1 - Alalade, Muyiwa T1 - An Enhanced Full Waveform Inversion Method for the Structural Analysis of Dams N2 - Since the Industrial Revolution in the 1700s, the high emission of gaseous wastes into the atmosphere from the usage of fossil fuels has caused a general increase in temperatures globally. To combat the environmental imbalance, there is an increase in the demand for renewable energy sources. Dams play a major role in the generation of “green" energy. However, these structures require frequent and strict monitoring to ensure safe and efficient operation. To tackle the challenges faced in the application of convention dam monitoring techniques, this work proposes the inverse analysis of numerical models to identify damaged regions in the dam. Using a dynamic coupled hydro-mechanical Extended Finite Element Method (XFEM) model and a global optimization strategy, damage (crack) in the dam is identified. By employing seismic waves to probe the dam structure, a more detailed information on the distribution of heterogeneous materials and damaged regions are obtained by the application of the Full Waveform Inversion (FWI) method. The FWI is based on a local optimization strategy and thus it is highly dependent on the starting model. A variety of data acquisition setups are investigated, and an optimal setup is proposed. The effect of different starting models and noise in the measured data on the damage identification is considered. Combining the non-dependence of a starting model of the global optimization strategy based dynamic coupled hydro-mechanical XFEM method and the detailed output of the local optimization strategy based FWI method, an enhanced Full Waveform Inversion is proposed for the structural analysis of dams. T3 - ISM-Bericht // Institut für Strukturmechanik, Bauhaus-Universität Weimar - 2019,1 KW - Talsperre KW - Staumauer KW - Damage identification KW - Inverse analysis KW - Dams KW - Full waveform inversion KW - Wave propagation Y1 - 2019 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:gbv:wim2-20190813-39566 ER - TY - THES A1 - Budarapu, Pattabhi Ramaiah T1 - Adaptive multiscale methods for fracture T1 - Adaptive Multiskalen-Methoden zur Modellierung von Materialversagen N2 - One major research focus in the Material Science and Engineering Community in the past decade has been to obtain a more fundamental understanding on the phenomenon 'material failure'. Such an understanding is critical for engineers and scientists developing new materials with higher strength and toughness, developing robust designs against failure, or for those concerned with an accurate estimate of a component's design life. Defects like cracks and dislocations evolve at nano scales and influence the macroscopic properties such as strength, toughness and ductility of a material. In engineering applications, the global response of the system is often governed by the behaviour at the smaller length scales. Hence, the sub-scale behaviour must be computed accurately for good predictions of the full scale behaviour. Molecular Dynamics (MD) simulations promise to reveal the fundamental mechanics of material failure by modeling the atom to atom interactions. Since the atomistic dimensions are of the order of Angstroms ( A), approximately 85 billion atoms are required to model a 1 micro- m^3 volume of Copper. Therefore, pure atomistic models are prohibitively expensive with everyday engineering computations involving macroscopic cracks and shear bands, which are much larger than the atomistic length and time scales. To reduce the computational effort, multiscale methods are required, which are able to couple a continuum description of the structure with an atomistic description. In such paradigms, cracks and dislocations are explicitly modeled at the atomistic scale, whilst a self-consistent continuum model elsewhere. Many multiscale methods for fracture are developed for "fictitious" materials based on "simple" potentials such as the Lennard-Jones potential. Moreover, multiscale methods for evolving cracks are rare. Efficient methods to coarse grain the fine scale defects are missing. However, the existing multiscale methods for fracture do not adaptively adjust the fine scale domain as the crack propagates. Most methods, therefore only "enlarge" the fine scale domain and therefore drastically increase computational cost. Adaptive adjustment requires the fine scale domain to be refined and coarsened. One of the major difficulties in multiscale methods for fracture is to up-scale fracture related material information from the fine scale to the coarse scale, in particular for complex crack problems. Most of the existing approaches therefore were applied to examples with comparatively few macroscopic cracks. Key contributions The bridging scale method is enhanced using the phantom node method so that cracks can be modeled at the coarse scale. To ensure self-consistency in the bulk, a virtual atom cluster is devised providing the response of the intact material at the coarse scale. A molecular statics model is employed in the fine scale where crack propagation is modeled by naturally breaking the bonds. The fine scale and coarse scale models are coupled by enforcing the displacement boundary conditions on the ghost atoms. An energy criterion is used to detect the crack tip location. Adaptive refinement and coarsening schemes are developed and implemented during the crack propagation. The results were observed to be in excellent agreement with the pure atomistic simulations. The developed multiscale method is one of the first adaptive multiscale method for fracture. A robust and simple three dimensional coarse graining technique to convert a given atomistic region into an equivalent coarse region, in the context of multiscale fracture has been developed. The developed method is the first of its kind. The developed coarse graining technique can be applied to identify and upscale the defects like: cracks, dislocations and shear bands. The current method has been applied to estimate the equivalent coarse scale models of several complex fracture patterns arrived from the pure atomistic simulations. The upscaled fracture pattern agree well with the actual fracture pattern. The error in the potential energy of the pure atomistic and the coarse grained model was observed to be acceptable. A first novel meshless adaptive multiscale method for fracture has been developed. The phantom node method is replaced by a meshless differential reproducing kernel particle method. The differential reproducing kernel particle method is comparatively more expensive but allows for a more "natural" coupling between the two scales due to the meshless interpolation functions. The higher order continuity is also beneficial. The centro symmetry parameter is used to detect the crack tip location. The developed multiscale method is employed to study the complex crack propagation. Results based on the meshless adaptive multiscale method were observed to be in excellent agreement with the pure atomistic simulations. The developed multiscale methods are applied to study the fracture in practical materials like Graphene and Graphene on Silicon surface. The bond stretching and the bond reorientation were observed to be the net mechanisms of the crack growth in Graphene. The influence of time step on the crack propagation was studied using two different time steps. Pure atomistic simulations of fracture in Graphene on Silicon surface are presented. Details of the three dimensional multiscale method to study the fracture in Graphene on Silicon surface are discussed. T3 - ISM-Bericht // Institut für Strukturmechanik, Bauhaus-Universität Weimar - 2015,1 KW - Material KW - Strukturmechanik KW - Materialversagen KW - material failure Y1 - 2015 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:gbv:wim2-20150507-23918 ER - TY - THES A1 - Eckardt, Stefan T1 - Adaptive heterogeneous multiscale models for the nonlinear simulation of concrete N2 - The nonlinear behavior of concrete can be attributed to the propagation of microcracks within the heterogeneous internal material structure. In this thesis, a mesoscale model is developed which allows for the explicit simulation of these microcracks. Consequently, the actual physical phenomena causing the complex nonlinear macroscopic behavior of concrete can be represented using rather simple material formulations. On the mesoscale, the numerical model explicitly resolves the components of the internal material structure. For concrete, a three-phase model consisting of aggregates, mortar matrix and interfacial transition zone is proposed. Based on prescribed grading curves, an efficient algorithm for the generation of three-dimensional aggregate distributions using ellipsoids is presented. In the numerical model, tensile failure of the mortar matrix is described using a continuum damage approach. In order to reduce spurious mesh sensitivities, introduced by the softening behavior of the matrix material, nonlocal integral-type material formulations are applied. The propagation of cracks at the interface between aggregates and mortar matrix is represented in a discrete way using a cohesive crack approach. The iterative solution procedure is stabilized using a new path following constraint within the framework of load-displacement-constraint methods which allows for an efficient representation of snap-back phenomena. In several examples, the influence of the randomly generated heterogeneous material structure on the stochastic scatter of the results is analyzed. Furthermore, the ability of mesoscale models to represent size effects is investigated. Mesoscale simulations require the discretization of the internal material structure. Compared to simulations on the macroscale, the numerical effort and the memory demand increases dramatically. Due to the complexity of the numerical model, mesoscale simulations are, in general, limited to small specimens. In this thesis, an adaptive heterogeneous multiscale approach is presented which allows for the incorporation of mesoscale models within nonlinear simulations of concrete structures. In heterogeneous multiscale models, only critical regions, i.e. regions in which damage develops, are resolved on the mesoscale, whereas undamaged or sparsely damage regions are modeled on the macroscale. A crucial point in simulations with heterogeneous multiscale models is the coupling of sub-domains discretized on different length scales. The sub-domains differ not only in the size of the finite elements but also in the constitutive description. In this thesis, different methods for the coupling of non-matching discretizations - constraint equations, the mortar method and the arlequin method - are investigated and the application to heterogeneous multiscale models is presented. Another important point is the detection of critical regions. An adaptive solution procedure allowing the transfer of macroscale sub-domains to the mesoscale is proposed. In this context, several indicators which trigger the model adaptation are introduced. Finally, the application of the proposed adaptive heterogeneous multiscale approach in nonlinear simulations of concrete structures is presented. N2 - Das nichtlineare Materialverhalten von Beton ist durch die Entwicklung von Mikrorissen innerhalb der heterogenen Materialstruktur gekennzeichnet. In dieser Arbeit wird ein Mesoskalenmodell entwickelt, welches die einzelnen Bestandteile der Materialstruktur explizit auflöst und somit die Simulation dieser Mikrorisse erlaubt. Dadurch können die wirklichen physikalischen Vorgänge, welche das komplexe nichtlineare Verhalten von Beton verursachen, durch relativ einfache Materialformulierungen abgebildet werden. Für Beton wird auf der Mesoskala ein 3-Phasenmodell vorgeschlagen, bestehend aus groben Zuschlägen, Mörtelmatrix und Übergangszone zwischen Zuschlag und Matrix. In diesem Zusammenhang wird ein effizienter Algorithmus vorgestellt, welcher ausgehend von einer gegebenen Sieblinie dreidimensionale Kornstrukturen mittels Ellipsoiden simuliert. Im Mesoskalenmodell wird das Zugversagen der Mörtelmatrix durch einen Kontinuumsansatz beschrieben. Um Netzabhängigkeiten, welche durch das Entfestigungsverhalten des Materials hervorgerufen werden, zu reduzieren, kommen nichtlokale Materialformulierungen zum Einsatz. Risse innerhalb der Übergangszone zwischen Zuschlag und Matrix werden, basierend auf einem kohäsiven Modell, mittels eines diskreten Rissansatzes abgebildet. Die Verwendung einer neuen Nebenbedingung innerhalb der Last-Verschiebungs-Zwangsmethode führt zu einer Stabilisierung des iterativen Lösungverfahrens, so dass eine effiziente Simulation von Snap-back Phänomenen möglich wird. Anhand von Beispielen wird gezeigt, dass Mesoskalenmodelle die stochastische Streuung von Ergebnissen und Maßstabseffekte abbilden können. Da auf der Mesoskala die Diskretisierung der inneren Materialstruktur erforderlich ist, steigt im Vergleich zu Simulationen auf der Makroskala der numerische Aufwand erheblich. Aufgrund der Komplexität des numerischen Modells sind Mesoskalensimulationen in der Regel auf kleine Probekörper beschränkt. In dieser Arbeit wird ein adaptiver heterogener Mehrskalenansatz vorgestellt, welcher die Verwendung von Mesoskalenmodellen in nichtlinearen Simulationen von Betonstrukturen erlaubt. In heterogenen Mehrskalenmodellen werden nur kritische Bereiche auf der Mesoskala aufgelöst, während ungeschädigte Bereiche auf der Makroskala abgebildet werden. Ein wichtiger Aspekt in Simulationen mit heterogenen Mehrskalenmodellen ist die Kopplung der auf unterschiedlichen Längenskalen diskretisierten Teilgebiete. Diese unterscheiden sich nicht nur in der Größe der finiten Elemente sondern auch in der Beschreibung des Materials. Verschiedene Methoden zur Kopplung nicht übereinstimmender Vernetzungen - Kopplungsgleichungen, die Mortar-Methode und die Arlequin-Methode - werden untersucht und ihre Anwendung in heterogenen Mehrskalenmodellen wird gezeigt. Ein weiterer wichtiger Aspekt ist die Bestimmung kritischer Regionen. Eine adaptive Lösungsstrategie wird entwickelt, welche die Umwandlung von Makroskalengebieten auf die Mesoskala erlaubt. In diesem Zusammenhang werden Indikatoren vorgestellt, die eine Modellanpassung auslösen. Anhand nichtlinearer Simulationen von Betonstrukturen wird die Anwendung des vorgestellten adaptiven heterogenen Mehrskalenansatzes demonstriert. T2 - Adaptive heterogene Mehrskalenmodelle zur nichtlinearen Simulation von Beton T3 - ISM-Bericht // Institut für Strukturmechanik, Bauhaus-Universität Weimar - 2010,1 KW - Beton KW - Mehrskalenanalyse KW - Finite-Elemente-Methode KW - Nichtlineare Finite-Elemente-Methode KW - Schadensmechanik KW - Mehrskalenmodell KW - Adaptives Verfahren KW - concrete KW - multiscale method KW - finite element method KW - continuum damage mechanics KW - adaptive simulation Y1 - 2009 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:gbv:wim2-20100317-15023 ER - TY - THES A1 - Luther, Torsten T1 - Adaptation of atomistic and continuum methods for multiscale simulation of quasi-brittle intergranular damage N2 - The numerical simulation of damage using phenomenological models on the macroscale was state of the art for many decades. However, such models are not able to capture the complex nature of damage, which simultaneously proceeds on multiple length scales. Furthermore, these phenomenological models usually contain damage parameters, which are physically not interpretable. Consequently, a reasonable experimental determination of these parameters is often impossible. In the last twenty years, the ongoing advance in computational capacities provided new opportunities for more and more detailed studies of the microstructural damage behavior. Today, multiphase models with several million degrees of freedom enable for the numerical simulation of micro-damage phenomena in naturally heterogeneous materials. Therewith, the application of multiscale concepts for the numerical investigation of the complex nature of damage can be realized. The presented thesis contributes to a hierarchical multiscale strategy for the simulation of brittle intergranular damage in polycrystalline materials, for example aluminum. The numerical investigation of physical damage phenomena on an atomistic microscale and the integration of these physically based information into damage models on the continuum meso- and macroscale is intended. Therefore, numerical methods for the damage analysis on the micro- and mesoscale including the scale transfer are presented and the transition to the macroscale is discussed. The investigation of brittle intergranular damage on the microscale is realized by the application of the nonlocal Quasicontinuum method, which fully describes the material behavior by atomistic potential functions, but reduces the number of atomic degrees of freedom by introducing kinematic couplings. Since this promising method is applied only by a limited group of researchers for special problems, necessary improvements have been realized in an own parallelized implementation of the 3D nonlocal Quasicontinuum method. The aim of this implementation was to develop and combine robust and efficient algorithms for a general use of the Quasicontinuum method, and therewith to allow for the atomistic damage analysis in arbitrary grain boundary configurations. The implementation is applied in analyses of brittle intergranular damage in ideal and nonideal grain boundary models of FCC aluminum, considering arbitrary misorientations. From the microscale simulations traction separation laws are derived, which describe grain boundary decohesion on the mesoscale. Traction separation laws are part of cohesive zone models to simulate the brittle interface decohesion in heterogeneous polycrystal structures. 2D and 3D mesoscale models are presented, which are able to reproduce crack initiation and propagation along cohesive interfaces in polycrystals. An improved Voronoi algorithm is developed in 2D to generate polycrystal material structures based on arbitrary distribution functions of grain size. The new model is more flexible in representing realistic grain size distributions. Further improvements of the 2D model are realized by the implementation and application of an orthotropic material model with Hill plasticity criterion to grains. The 2D and 3D polycrystal models are applied to analyze crack initiation and propagation in statically loaded samples of aluminum on the mesoscale without the necessity of initial damage definition. N2 - Strukturmechanische Ermüdungs- und Lebensdaueranalysen basieren meist auf der Anwendung phänomenologischer Modelle der Schädigungs- und Bruchmechanik zur numerischen Simulationen des makroskopischen Schädigungsverhaltens. Ausgehend von einer definierten Anfangsschädigung sind diese Modelle nicht in der Lage, die tatsächlichen Vorgänge der Rissinitiierung und unterschiedlichen Rissausbreitung zu erfassen. Eine physikalische Interpretation der phänomenologisch eingeführten Schädigungsparameter ist oftmals nicht möglich und deren experimentelle Bestimmung schwierig. Die Berücksichtigung des mikrostrukturellen Aufbaus von Materialien in numerischen Modellen der Schädigungs- und Bruchmechanik bietet neue Möglichkeiten, die für die Rissinitiierung und Rissausbreitung ursächlichen physikalischen Phänomene abzubilden. Zunehmende Erkenntnisse über gleichzeitig auftretende Mikro- und Makroschädigungsvorgänge resultieren in verbesserten numerischen Modellen, mit denen aufwändige und kostenintensive Experimente in der Materialentwicklung zum Teil ersetzt werden können. In Kenntnis einer Vielfalt von unterschiedlichen Schädigungsphänomenen in technischen Materialien fokussiert die vorliegende Dissertation auf die Entwicklung und Verbesserung numerischer Methoden der Atomistik und der Kontinuumsmechanik zur Mehrskalenuntersuchung quasi-spröder Korngrenzenschädigung in polykristallinen Werkstoffen, z.B. Aluminium. Die kombinierte Anwendung dieser Methoden ist Teil eines hierarchischen Mehrskalenansatzes zur Integration des physikalisch beschriebenen Materialverhaltens der Atomistik in ein ingenieurmäßiges Kontinuumsschädigungsmodell. Ziel der Dissertation ist die Entwicklung einer Methodik, die es erlaubt, den Verlust atomarer Bindungen als physikalische Ursache spröder Schädigung zu simulieren und Ergebnisse aus diesen atomistischen Mikroskalen-Simulationen zur Parametrisierung von kohäsiven Materialmodellen der Kontinuumsmechanik zu nutzen. Diese beschreiben den intergranularen Sprödbruch in heterogenen Polykristallmodellen der Mesoskala. Der Einfluss der Heterogenität wird in nichtlinearen Finite-Elemente-Simulationen durch explizite Abbildung der Kornstruktur im mesoskopischen Polykristallmodell berücksichtigt. Durch den Einsatz des kohäsiven Interface-Gesetzes erlaubt das auf der Mesoskala angewandte Kontinuumsmodell die Simulation spröder Korngrenzenschädigung in statisch belasteten 2D und 3D Modellen ohne die Notwendigkeit der Definition einer Anfangsschädigung, wie dies in klassischen Modellen der linear-elastischen Bruchmechanik notwendig ist. Zur effizienten Realisierung der atomistischen Mikroskalen-Simulationen wird eine Implementation der nichtlokalen 3D Quasikontinuumsmethode angewandt. Diese Methode basiert auf einem atomistischen Ansatz und beschreibt das Materialverhalten auf Grundlage atomarer Bindungskräfte. In Modellgebieten mit gleichmäßigem Verformungsfeld werden kinematische Kopplungen atomarer Freiheitsgrade eingeführt, sodass sich die Zahl unabhängiger Freiheitsgrade stark reduziert. Deren effizienter Einsatz erlaubt Simulationen an größeren Modellen ohne Kopplung mit kontinuumsmechanischen Methoden. Eine verbesserte Vernetzung, ein robuster Optimierungsalgorithmus und die vorgenommene Parallelisierung machen die implementierte nichtlokale 3D Quasikontinuumsmethode zu einem effizienten Werkzeug für die robuste Simulation von physikalischen Schädigungsphänomenen in beliebigen atomistischen Konfigurationen. In quasistatischen Simulationen wird eine deutliche Beschleunigung gegenüber der Methode der Gitterstatik bei vergleichbarer Qualität der Ergebnisse erreicht. T2 - Weiterentwicklung numerischer Methoden der Atomistik und Kontinuumsmechanik zur Multiskalen-Simulation quasi-spröder intergranularer Schädigung T3 - ISM-Bericht // Institut für Strukturmechanik, Bauhaus-Universität Weimar - 2010,2 KW - Mechanik KW - Computersimulation KW - Mikro-Scale KW - Meso-Scale KW - Polykristall KW - intergranular damage KW - atomistic simulation methods KW - continuum mechanics KW - quasicontinuum method KW - scale transition Y1 - 2010 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:gbv:wim2-20101101-15245 ER - TY - THES A1 - Winkel, Benjamin T1 - A three-dimensional model of skeletal muscle for physiological, pathological and experimental mechanical simulations T1 - Ein dreidimensionales Skelettmuskel-Modell für physiologische, pathologische und experimentelle mechanische Simulationen N2 - In recent decades, a multitude of concepts and models were developed to understand, assess and predict muscular mechanics in the context of physiological and pathological events. Most of these models are highly specialized and designed to selectively address fields in, e.g., medicine, sports science, forensics, product design or CGI; their data are often not transferable to other ranges of application. A single universal model, which covers the details of biochemical and neural processes, as well as the development of internal and external force and motion patterns and appearance could not be practical with regard to the diversity of the questions to be investigated and the task to find answers efficiently. With reasonable limitations though, a generalized approach is feasible. The objective of the work at hand was to develop a model for muscle simulation which covers the phenomenological aspects, and thus is universally applicable in domains where up until now specialized models were utilized. This includes investigations on active and passive motion, structural interaction of muscles within the body and with external elements, for example in crash scenarios, but also research topics like the verification of in vivo experiments and parameter identification. For this purpose, elements for the simulation of incompressible deformations were studied, adapted and implemented into the finite element code SLang. Various anisotropic, visco-elastic muscle models were developed or enhanced. The applicability was demonstrated on the base of several examples, and a general base for the implementation of further material models was developed and elaborated. T3 - ISM-Bericht // Institut für Strukturmechanik, Bauhaus-Universität Weimar - 2020,3 KW - Biomechanik KW - Nichtlineare Finite-Elemente-Methode KW - Muskel KW - Brustkorb KW - Muscle model KW - FEM KW - Biomechanics KW - Incompressibility KW - Thorax Y1 - 2020 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:gbv:wim2-20201211-43002 ER - TY - THES A1 - Zhang, Yongzheng T1 - A Nonlocal Operator Method for Quasi-static and Dynamic Fracture Modeling N2 - 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. T3 - ISM-Bericht // Institut für Strukturmechanik, Bauhaus-Universität Weimar - 2022,9 KW - Variationsprinzip KW - Partial Differential Equations KW - Taylor Series Expansion KW - Peridynamics KW - Variational principle KW - Phase field method KW - Peridynamik KW - Phasenfeldmodell KW - Partielle Differentialgleichung KW - Nichtlokale Operatormethode Y1 - 2022 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:gbv:wim2-20221026-47321 ER -