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 - 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 - 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 - 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 - 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 - 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 - 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 - 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 - 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 - Tan, Fengjie T1 - Shape Optimization Design of Arch Type Dams under Uncertainties N2 - Due to an increased need for hydro-electricity, water storage, and flood protection, it is assumed that a series of new dams will be built throughout the world. Comparing existing design methodologies for arch-type dams, model-based shape optimization can effectively reduce construction costs and leverage the properties of construction materials. To apply the means of shape optimization, suitable variables need to be chosen to formulate the objective function, which is the volume of the arch dam here. In order to increase the consistency with practical conditions, a great number of geometrical and behavioral constraints are included in the mathematical model. An optimization method, namely Genetic Algorithm is adopted which allows a global search. Traditional optimization techniques are realized based on a deterministic approach, which means that the material properties and loading conditions are assumed to be fixed values. As a result, the real-world structures that are optimized by these approaches suffer from uncertainties that one needs to be aware of. Hence, in any optimization process for arch dams, it is nec- essary to find a methodology that is capable of considering the influences of uncertainties and generating a solution which is robust enough against the uncertainties. The focus of this thesis is the formulation and the numerical method for the optimization of the arch dam under the uncertainties. The two main models, the probabilistic model, and non-probabilistic models are intro- duced and discussed. Classic procedures of probabilistic approaches un- der uncertainties, such as RDO (robust design optimization) and RBDO (reliability-based design optimization), are in general computationally ex- pensive and rely on estimates of the system’s response variance and fail- ure probabilities. Instead, the robust optimization (RO) method which is based on the non-probabilistic model, will not follow a full probabilistic approach but works with pre-defined confidence levels. This leads to a bi-level optimization program where the volume of the dam is optimized under the worst combination of the uncertain parameters. By this, robust and reliable designs are obtained and the result is independent of any as- sumptions on stochastic properties of the random variables in the model. The optimization of an arch-type dam is realized here by a robust optimiza- tion method under load uncertainty, where hydraulic and thermal loads are considered. The load uncertainty is modeled as an ellipsoidal expression. Comparing with any traditional deterministic optimization (DO) method, which only concerns the minimum objective value and offers a solution candidate close to limit-states, the RO method provides a robust solution against uncertainties. All the above mentioned methods are applied to the optimization of the arch dam to compare with the optimal design with DO methods. The re- sults are compared and analyzed to discuss the advantages and drawbacks of each method. In order to reduce the computational cost, a ranking strategy and an ap- proximation model are further involved to do a preliminary screening. By means of these, the robust design can generate an improved arch dam structure which ensures both safety and serviceability during its lifetime. T3 - ISM-Bericht // Institut für Strukturmechanik, Bauhaus-Universität Weimar - 2019,2 KW - Wasserbau KW - Staudamm KW - dams Y1 - 2019 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:gbv:wim2-20190819-39608 ER - TY - THES A1 - Shaaban Mohamed, Ahmed Mostafa T1 - Isogeometric boundary element analysis and structural shape optimization for Helmholtz acoustic problems N2 - In this thesis, a new approach is developed for applications of shape optimization on the time harmonic wave propagation (Helmholtz equation) for acoustic problems. This approach is introduced for different dimensional problems: 2D, 3D axi-symmetric and fully 3D problems. The boundary element method (BEM) is coupled with the isogeometric analysis (IGA) forming the so-called (IGABEM) which speeds up meshing and gives higher accuracy in comparison with standard BEM. BEM is superior for handling unbounded domains by modeling only the inner boundaries and avoiding the truncation error, present in the finite element method (FEM) since BEM solutions satisfy the Sommerfeld radiation condition automatically. Moreover, BEM reduces the space dimension by one from a volumetric three-dimensional problem to a surface two-dimensional problem, or from a surface two-dimensional problem to a perimeter one-dimensional problem. Non-uniform rational B-splines basis functions (NURBS) are used in an isogeometric setting to describe both the CAD geometries and the physical fields. IGABEM is coupled with one of the gradient-free optimization methods, the Particle Swarm Optimization (PSO) for structural shape optimization problems. PSO is a straightforward method since it does not require any sensitivity analysis but it has some trade-offs with regard to the computational cost. Coupling IGA with optimization problems enables the NURBS basis functions to represent the three models: shape design, analysis and optimization models, by a definition of a set of control points to be the control variables and the optimization parameters as well which enables an easy transition between the three models. Acoustic shape optimization for various frequencies in different mediums is performed with PSO and the results are compared with the benchmark solutions from the literature for different dimensional problems proving the efficiency of the proposed approach with the following remarks: - In 2D problems, two BEM methods are used: the conventional isogeometric boundary element method (IGABEM) and the eXtended IGABEM (XIBEM) enriched with the partition-of-unity expansion using a set of plane waves, where the results are generally in good agreement with the linterature with some computation advantage to XIBEM which allows coarser meshes. -In 3D axi-symmetric problems, the three-dimensional problem is simplified in BEM from a surface integral to a combination of two 1D integrals. The first is the line integral similar to a two-dimensional BEM problem. The second integral is performed over the angle of revolution. The discretization is applied only to the former integration. This leads to significant computational savings and, consequently, better treatment for higher frequencies over the full three-dimensional models. - In fully 3D problems, a detailed comparison between two BEM methods: the conventional boundary integral equation (CBIE) and Burton-Miller (BM) is provided including the computational cost. The proposed models are enhanced with a modified collocation scheme with offsets to Greville abscissae to avoid placing collocation points at the corners. Placing collocation points on smooth surface enables accurate evaluation of normals for BM formulation in addition to straightforward prediction of jump-terms and avoids singularities in $\mathcal{O} (1/r)$ integrals eliminating the need for polar integration. Furthermore, no additional special treatment is required for the hyper-singular integral while collocating on highly distorted elements, such as those containing sphere poles. The obtained results indicate that, CBIE with PSO is a feasible alternative (except for a small number of fictitious frequencies) which is easier to implement. Furthermore, BM presents an outstanding treatment of the complicated geometry of mufflers with internal extended inlet/outlet tube as an interior 3D Helmholtz acoustic problem instead of using mixed or dual BEM. T3 - ISM-Bericht // Institut für Strukturmechanik, Bauhaus-Universität Weimar - 2022,6 KW - Randelemente-Methode KW - Isogeometrische Analyse KW - Gestaltoptimierung KW - Boundary Element Method KW - Isogeometric Analysis KW - Helmholtz Acoustic Problems KW - Shape Optimization Y1 - 2022 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:gbv:wim2-20220816-47030 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 - 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 - Schemmann, Christoph T1 - Optimierung von radialen Verdichterlaufrädern unter Berücksichtigung empirischer und analytischer Vorinformationen mittels eines mehrstufigen Sampling Verfahrens T1 - Optimization of Centrifugal Compressor Impellers by a Multi-fidelity Sampling Method Taking Analytical and Empirical Information into Account N2 - Turbomachinery plays an important role in many cases of energy generation or conversion. Therefore, turbomachinery is a promising approaching point for optimization in order to increase the efficiency of energy use. In recent years, the use of automated optimization strategies in combination with numerical simulation has become increasingly popular in many fields of engineering. The complex interactions between fluid and solid mechanics encountered in turbomachines on the one hand and the high computational expense needed to calculate the performance on the other hand, have, however, prevented a widespread use of these techniques in this field of engineering. The objective of this work was the development of a strategy for efficient metamodel based optimization of centrifugal compressor impellers. In this context, the main focus is the reduction of the required numerical expense. The central idea followed in this research was the incorporation of preliminary information acquired from low-fidelity computation methods and empirical correlations into the sampling process to identify promising regions of the parameter space. This information was then used to concentrate the numerically expensive high-fidelity computations of the fluid dynamic and structure mechanic performance of the impeller in these regions while still maintaining a good coverage of the whole parameter space. The development of the optimization strategy can be divided into three main tasks. Firstly, the available preliminary information had to be researched and rated. This research identified loss models based on one dimensional flow physics and empirical correlations as the best suited method to predict the aerodynamic performance. The loss models were calibrated using available performance data to obtain a high prediction quality. As no sufficiently exact models for the prediction of the mechanical loading of the impellercould be identified, a metamodel based on finite element computations was chosen for this estimation. The second task was the development of a sampling method which concentrates samples in regions of the parameter space where high quality designs are predicted by the preliminary information while maintaining a good overall coverage. As available methods like rejection sampling or Markov-chain Monte-Carlo methods did not meet the requirements in terms of sample distribution and input correlation, a new multi-fidelity sampling method called “Filtered Sampling“has been developed. The last task was the development of an automated computational workflow. This workflow encompasses geometry parametrization, geometry generation, grid generation and computation of the aerodynamic performance and the structure mechanic loading. Special emphasis was put into the development of a geometry parametrization strategy based on fluid mechanic considerations to prevent the generation of physically inexpedient designs. Finally, the optimization strategy, which utilizes the previously developed tools, was successfully employed to carry out three optimization tasks. The efficiency of the method was proven by the first and second testcase where an existing compressor design was optimized by the presented method. The results were comparable to optimizations which did not take preliminary information into account, while the required computational expense cloud be halved. In the third testcase, the method was applied to generate a new impeller design. In contrast to the previous examples, this optimization featuredlargervariationsoftheimpellerdesigns. Therefore, theapplicability of the method to parameter spaces with significantly varying designs could be proven, too. N2 - Turbomaschinen sind eine entscheidende Komponente in vielen Energiewandlungs- oder Energieerzeugungsprozessen und daher als vielversprechender Ansatzpunkt für eine Effizienzsteigerung der Energie-und Ressourcennutzung anzusehen. Im Laufe des letzten Jahrzehnts haben automatisierte Optimierungsmethoden in Verbindung mit numerischer Simulation zunehmend breitere Verwendung als Mittel zur Effizienzsteigerung in vielen Bereichen der Ingenieurwissenschaften gefunden. Allerdings standen die komplexen Interaktionen zwischen Strömungs- und Strukturmechanik sowie der hohe nummerische Aufwand einem weitverbreiteten Einsatz dieser Methoden im Turbomaschinenbereich bisher entgegen. Das Ziel dieser Forschungsaktivität ist die Entwicklung einer effizienten Strategie zur metamodellbasierten Optimierung von radialen Verdichterlaufrädern. Dabei liegt der Schwerpunkt auf einer Reduktion des benötigten numerischen Aufwandes. Der in diesem Vorhaben gewählte Ansatz ist das Einbeziehen analytischer und empirischer Vorinformationen (“lowfidelity“) in den Sampling Prozess, um vielversprechende Bereiche des Parameterraumes zu identifizieren. Diese Informationen werden genutzt um die aufwendigen numerischen Berechnungen (“high-fidelity“) des strömungs- und strukturmechanischen Verhaltens der Laufräder in diesen Bereichen zu konzentrieren, während gleichzeitig eine ausreichende Abdeckung des gesamten Parameterraumes sichergestellt wird. Die Entwicklung der Optimierungsstrategie ist in drei zentrale Arbeitspakete aufgeteilt. In einem ersten Schritt werden die verfügbaren empirischen und analytischen Methoden gesichtet und bewertet. In dieser Recherche sind Verlustmodelle basierend auf eindimensionaler Strömungsmechanik und empirischen Korrelationen als bestgeeignete Methode zur Vorhersage des aerodynamischen Verhaltens der Verdichter identifiziert worden. Um eine hohe Vorhersagegüte sicherzustellen, sind diese Modelle anhand verfügbarer Leistungsdaten kalibriert worden. Da zur Vorhersage der mechanischen Belastung des Laufrades keine brauchbaren analytischen oder empirischen Modelle ermittelt werden konnten, ist hier ein Metamodel basierend auf Finite-Element Berechnungen gewählt worden. Das zweite Arbeitspaket beinhaltet die Entwicklung der angepassten Samplingmethode, welche Samples in Bereichen des Parameterraumes konzentriert, die auf Basis der Vorinformationen als vielversrechend angesehen werden können. Gleichzeitig müssen eine gleichmäßige Abdeckung des gesamten Parameterraumes und ein niedriges Niveau an Eingangskorrelationen sichergestellt sein. Da etablierte Methoden wie Markov-Ketten-Monte-Carlo-Methoden oder die Verwerfungsmethode diese Voraussetzungen nicht erfüllen, ist ein neues, mehrstufiges Samplingverfahren (“Filtered Sampling“) entwickelt worden. Das letzte Arbeitspaket umfasst die Entwicklung eines automatisiertenSimulations-Workflows. Dieser Workflow umfasst Geometrieparametrisierung, Geometrieerzeugung, Netzerzeugung sowie die Berechnung des aerodynamischen Betriebsverhaltens und der strukturmechanischen Belastung. Dabei liegt ein Schwerpunkt auf der Entwicklung eines Parametrisierungskonzeptes, welches auf strömungsmechanischen Zusammenhängen beruht, um so physikalisch nicht zielführende Parameterkombinationen zu vermeiden. Abschließend ist die auf den zuvor entwickelten Werkzeugen aufbauende Optimierungsstrategie erfolgreich eingesetzt worden, um drei Optimierungsfragestellungen zu bearbeiten. Im ersten und zweiten Testcase sind bestehende Verdichterlaufräder mit der vorgestellten Methode optimiert worden. Die erzielten Optimierungsergebnisse sind von ähnlicher Güte wie die solcher Optimierungen, die keine Vorinformationen berücksichtigen, allerdingswirdnurdieHälfteannumerischemAufwandbenötigt. IneinemdrittenTestcase ist die Methode eingesetzt worden, um ein neues Laufraddesign zu erzeugen. Im Gegensatz zu den vorherigen Beispielen werden im Rahmen dieser Optimierung stark unterschiedliche Designs untersucht. Dadurch kann an diesem dritten Beispiel aufgezeigt werden, dass die Methode auch für Parameterräume mit stakt variierenden Designs funktioniert. T3 - ISM-Bericht // Institut für Strukturmechanik, Bauhaus-Universität Weimar - 2019,3 KW - Simulation KW - Maschinenbau KW - Optimierung KW - Strömungsmechanik KW - Strukturmechanik Y1 - 2019 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:gbv:wim2-20190910-39748 ER - TY - THES A1 - Nickerson, Seth T1 - Thermo-Mechanical Behavior of Honeycomb, Porous, Microcracked Ceramics BT - Characterization and analysis of thermally induced stresses with specific consideration of synthetic, porous cordierite honeycomb substrates N2 - The underlying goal of this work is to reduce the uncertainty related to thermally induced stress prediction. This is accomplished by considering use of non-linear material behavior, notably path dependent thermal hysteresis behavior in the elastic properties. Primary novel factors of this work center on two aspects. 1. Broad material characterization and mechanistic material understanding, giving insight into why this class of material behaves in characteristic manners. 2. Development and implementation of a thermal hysteresis material model and its use to determine impact on overall macroscopic stress predictions. Results highlight microcracking evolution and behavior as the dominant mechanism for material property complexity in this class of materials. Additionally, it was found that for the cases studied, thermal hysteresis behavior impacts relevant peak stress predictions of a heavy-duty diesel particulate filter undergoing a drop-to-idle regeneration by less than ~15% for all conditions tested. It is also found that path independent heating curves may be utilized for a linear solution assumption to simplify analysis. This work brings forth a newly conceived concept of a 3 state, 4 path, thermally induced microcrack evolution process; demonstrates experimental behavior that is consistent with the proposed mechanisms, develops a mathematical framework that describes the process and quantifies the impact in a real world application space. T3 - ISM-Bericht // Institut für Strukturmechanik, Bauhaus-Universität Weimar - 2019,4 KW - Keramik KW - ceramics Y1 - 2019 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:gbv:wim2-20190911-39753 ER - TY - THES A1 - Nguyen-Thanh, Nhon T1 - Isogeometric analysis based on rational splines over hierarchical T-mesh and alpha finite element method for structural analysis N2 - This thesis presents two new methods in finite elements and isogeometric analysis for structural analysis. The first method proposes an alternative alpha finite element method using triangular elements. In this method, the piecewise constant strain field of linear triangular finite element method models is enhanced by additional strain terms with an adjustable parameter a, which results in an effectively softer stiffness formulation compared to a linear triangular element. In order to avoid the transverse shear locking of Reissner-Mindlin plates analysis the alpha finite element method is coupled with a discrete shear gap technique for triangular elements to significantly improve the accuracy of the standard triangular finite elements. The basic idea behind this element formulation is to approximate displacements and rotations as in the standard finite element method, but to construct the bending, geometrical and shear strains using node-based smoothing domains. Several numerical examples are presented and show that the alpha FEM gives a good agreement compared to several other methods in the literature. Second method, isogeometric analysis based on rational splines over hierarchical T-meshes (RHT-splines) is proposed. The RHT-splines are a generalization of Non-Uniform Rational B-splines (NURBS) over hierarchical T-meshes, which is a piecewise bicubic polynomial over a hierarchical T-mesh. The RHT-splines basis functions not only inherit all the properties of NURBS such as non-negativity, local support and partition of unity but also more importantly as the capability of joining geometric objects without gaps, preserving higher order continuity everywhere and allow local refinement and adaptivity. In order to drive the adaptive refinement, an efficient recovery-based error estimator is employed. For this problem an imaginary surface is defined. The imaginary surface is basically constructed by RHT-splines basis functions which is used for approximation and interpolation functions as well as the construction of the recovered stress components. Numerical investigations prove that the proposed method is capable to obtain results with higher accuracy and convergence rate than NURBS results. T3 - ISM-Bericht // Institut für Strukturmechanik, Bauhaus-Universität Weimar - 2013,4 KW - Isogeometric analysis KW - NURBS KW - FEM KW - RHT-splines KW - Isogeometric analysis KW - NURBS KW - FEM KW - RHT-splines Y1 - 2013 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:gbv:wim2-20131125-20781 SN - 1610-7381 ER - TY - THES A1 - Mojahedin, Arvin T1 - Analysis of Functionally Graded Porous Materials Using Deep Energy Method and Analytical Solution N2 - Porous materials are an emerging branch of engineering materials that are composed of two elements: One element is a solid (matrix), and the other element is either liquid or gas. Pores can be distributed within the solid matrix of porous materials with different shapes and sizes. In addition, porous materials are lightweight, and flexible, and have higher resistance to crack propagation and specific thermal, mechanical, and magnetic properties. These properties are necessary for manufacturing engineering structures such as beams and other engineering structures. These materials are widely used in solid mechanics and are considered a good replacement for classical materials by many researchers recently. Producing lightweight materials has been developed because of the possibility of exploiting the properties of these materials. Various types of porous material are generated naturally or artificially for a specific application such as bones and foams. Like functionally graded materials, pore distribution patterns can be uniform or non-uniform. Biot’s theory is a well-developed theory to study the behavior of poroelastic materials which investigates the interaction between fluid and solid phases of a fluid-saturated porous medium. Functionally graded porous materials (FGPM) are widely used in modern industries, such as aerospace, automotive, and biomechanics. These advanced materials have some specific properties compared to materials with a classic structure. They are extremely light, while they have specific strength in mechanical and high-temperature environments. FGPMs are characterized by a gradual variation of material parameters over the volume. Although these materials can be made naturally, it is possible to design and manufacture them for a specific application. Therefore, many studies have been done to analyze the mechanical and thermal properties of FGPM structures, especially beams. Biot was the pioneer in formulating the linear elasticity and thermoelasticity equations of porous material. Since then, Biot's formulation has been developed in continuum mechanics which is named poroelasticity. There are obstacles to analyzing the behavior of these materials accurately like the shape of the pores, the distribution of pores in the material, and the behavior of the fluid (or gas) that saturated pores. Indeed, most of the engineering structures made of FGPM have nonlinear governing equations. Therefore, it is difficult to study engineering structures by solving these complicated equations. The main purpose of this dissertation is to analyze porous materials in engineering structures. For this purpose, the complex equations of porous materials have been simplified and applied to engineering problems so that the effect of all parameters of porous materials on the behavior of engineering structure has been investigated. The effect of important parameters of porous materials on beam behavior including pores compressibility, porosity distribution, thermal expansion of fluid within pores, the interaction of stresses between pores and material matrix due to temperature increase, effects of pore size, material thickness, and saturated pores with fluid and unsaturated conditions are investigated. Two methods, the deep energy method, and the exact solution have been used to reduce the problem hypotheses, increase accuracy, increase processing speed, and apply these in engineering structures. In both methods, they are analyzed nonlinear and complex equations of porous materials. To increase the accuracy of analysis and study of the effect of shear forces, Timoshenko and Reddy's beam theories have been used. Also, neural networks such as residual and fully connected networks are designed to have high accuracy and less processing time than other computational methods. T3 - ISM-Bericht // Institut für Strukturmechanik, Bauhaus-Universität Weimar - 2022,12 KW - Poröser Stoff KW - Analytische Lösung KW - Porous Materials KW - Deep Energy Method KW - Analytical Solution KW - Functionally Graded Materials Y1 - 2022 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:gbv:wim2-20221220-48674 ER - TY - THES A1 - Mai, Luu T1 - Structural Control Systems in High-speed Railway Bridges N2 - Structural vibration control of high-speed railway bridges using tuned mass dampers, semi-active tuned mass dampers, fluid viscous dampers and magnetorheological dampers to reduce resonant structural vibrations is studied. In this work, the addressed main issues include modeling of the dynamic interaction of the structures, optimization of the parameters of the dampers and comparison of their efficiency. A new approach to optimize multiple tuned mass damper systems on an uncertain model is proposed based on the H-infinity optimization criteria and the DK iteration procedure with norm-bounded uncertainties in frequency domain. The parameters of tuned mass dampers are optimized directly and simultaneously on different modes contributing significantly to the multi-resonant peaks to explore the different possible combinations of parameters. The effectiveness of the present method is also evaluated through comparison with a previous method. In the case of semi-active tuned mass dampers, an optimization algorithm is derived to control the magnetorheological damper in these semi-active damping systems. The use of the proposed algorithm can generate various combinations of control gains and state variables. This can lead to the improvement of the ability of MR dampers to track the desired control forces. An uncertain model to reduce detuning effects is also considered in this work. Next, for fluid viscous dampers, in order to tune the optimal parameters of fluid viscous dampers to the vicinity of the exact values, analytical formulae which can include structural damping are developed based on the perturbation method. The proposed formulae can also be considered as an improvement of the previous analytical formulae, especially for bridge beams with large structural damping. Finally, a new combination of magnetorheological dampers and a double-beam system to improve the performance of the primary structure vibration is proposed. An algorithm to control magnetorheological dampers in this system is developed by using standard linear matrix inequality techniques. Weight functions as a loop shaping procedure are also introduced in the feedback controllers to improve the tracking ability of magnetorheological damping forces. To this end, the effectiveness of magnetorheological dampers controlled by the proposed scheme, along with the effects of the uncertain and time-delay parameters on the models, are evaluated through numerical simulations. Additionally, a comparison of the dampers based on their performance is also considered in this work. T3 - ISM-Bericht // Institut für Strukturmechanik, Bauhaus-Universität Weimar - 2014,3 KW - High-speed railway bridge KW - Control system KW - Passive damper KW - Semi-active damper KW - Railway bridges Y1 - 2014 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:gbv:wim2-20141223-23391 SN - 1610-7381 ER - TY - THES A1 - López Zermeño, Jorge Alberto T1 - Isogeometric and CAD-based methods for shape and topology optimization: Sensitivity analysis, Bézier elements and phase-field approaches N2 - The Finite Element Method (FEM) is widely used in engineering for solving Partial Differential Equations (PDEs) over complex geometries. To this end, it is required to provide the FEM software with a geometric model that is typically constructed in a Computer-Aided Design (CAD) software. However, FEM and CAD use different approaches for the mathematical description of the geometry. Thus, it is required to generate a mesh, which is suitable for FEM, based on the CAD model. Nonetheless, this procedure is not a trivial task and it can be time consuming. This issue becomes more significant for solving shape and topology optimization problems, which consist in evolving the geometry iteratively. Therefore, the computational cost associated to the mesh generation process is increased exponentially for this type of applications. The main goal of this work is to investigate the integration of CAD and CAE in shape and topology optimization. To this end, numerical tools that close the gap between design and analysis are presented. The specific objectives of this work are listed below: • Automatize the sensitivity analysis in an isogeometric framework for applications in shape optimization. Applications for linear elasticity are considered. • A methodology is developed for providing a direct link between the CAD model and the analysis mesh. In consequence, the sensitivity analysis can be performed in terms of the design variables located in the design model. • The last objective is to develop an isogeometric method for shape and topological optimization. This method should take advantage of using Non-Uniform Rational B-Splines (NURBS) with higher continuity as basis functions. Isogeometric Analysis (IGA) is a framework designed to integrate the design and analysis in engineering problems. The fundamental idea of IGA is to use the same basis functions for modeling the geometry, usually NURBS, for the approximation of the solution fields. The advantage of integrating design and analysis is two-fold. First, the analysis stage is more accurate since the system of PDEs is not solved using an approximated geometry, but the exact CAD model. Moreover, providing a direct link between the design and analysis discretizations makes possible the implementation of efficient sensitivity analysis methods. Second, the computational time is significantly reduced because the mesh generation process can be avoided. Sensitivity analysis is essential for solving optimization problems when gradient-based optimization algorithms are employed. Automatic differentiation can compute exact gradients, automatically by tracking the algebraic operations performed on the design variables. For the automation of the sensitivity analysis, an isogeometric framework is used. Here, the analysis mesh is obtained after carrying out successive refinements, while retaining the coarse geometry for the domain design. An automatic differentiation (AD) toolbox is used to perform the sensitivity analysis. The AD toolbox takes the code for computing the objective and constraint functions as input. Then, using a source code transformation approach, it outputs a code for computing the objective and constraint functions, and their sensitivities as well. The sensitivities obtained from the sensitivity propagation method are compared with analytical sensitivities, which are computed using a full isogeometric approach. The computational efficiency of AD is comparable to that of analytical sensitivities. However, the memory requirements are larger for AD. Therefore, AD is preferable if the memory requirements are satisfied. Automatic sensitivity analysis demonstrates its practicality since it simplifies the work of engineers and designers. Complex geometries with sharp edges and/or holes cannot easily be described with NURBS. One solution is the use of unstructured meshes. Simplex-elements (triangles and tetrahedra for two and three dimensions respectively) are particularly useful since they can automatically parameterize a wide variety of domains. In this regard, unstructured Bézier elements, commonly used in CAD, can be employed for the exact modelling of CAD boundary representations. In two dimensions, the domain enclosed by NURBS curves is parameterized with Bézier triangles. To describe exactly the boundary of a two-dimensional CAD model, the continuity of a NURBS boundary representation is reduced to C^0. Then, the control points are used to generate a triangulation such that the boundary of the domain is identical to the initial CAD boundary representation. Thus, a direct link between the design and analysis discretizations is provided and the sensitivities can be propagated to the design domain. In three dimensions, the initial CAD boundary representation is given as a collection of NURBS surfaces that enclose a volume. Using a mesh generator (Gmsh), a tetrahedral mesh is obtained. The original surface is reconstructed by modifying the location of the control points of the tetrahedral mesh using Bézier tetrahedral elements and a point inversion algorithm. This method offers the possibility of computing the sensitivity analysis using the analysis mesh. Then, the sensitivities can be propagated into the design discretization. To reuse the mesh originally generated, a moving Bézier tetrahedral mesh approach was implemented. A gradient-based optimization algorithm is employed together with a sensitivity propagation procedure for the shape optimization cases. The proposed shape optimization approaches are used to solve some standard benchmark problems in structural mechanics. The results obtained show that the proposed approach can compute accurate gradients and evolve the geometry towards optimal solutions. In three dimensions, the moving mesh approach results in faster convergence in terms of computational time and avoids remeshing at each optimization step. For considering topological changes in a CAD-based framework, an isogeometric phase-field based shape and topology optimization is developed. In this case, the diffuse interface of a phase-field variable over a design domain implicitly describes the boundaries of the geometry. The design variables are the local values of the phase-field variable. The descent direction to minimize the objective function is found by using the sensitivities of the objective function with respect to the design variables. The evolution of the phase-field is determined by solving the time dependent Allen-Cahn equation. Especially for topology optimization problems that require C^1 continuity, such as for flexoelectric structures, the isogeometric phase field method is of great advantage. NURBS can achieve the desired continuity more efficiently than the traditional employed functions. The robustness of the method is demonstrated when applied to different geometries, boundary conditions, and material configurations. The applications illustrate that compared to piezoelectricity, the electrical performance of flexoelectric microbeams is larger under bending. In contrast, the electrical power for a structure under compression becomes larger with piezoelectricity. T3 - ISM-Bericht // Institut für Strukturmechanik, Bauhaus-Universität Weimar - 2022,4 KW - CAD KW - Gestaltoptimierung KW - Topologieoptimierung KW - Isogeometrische Analyse KW - Finite-Elemente-Methode KW - Computer-Aided Design KW - Shape Optimization KW - Topology Optimization KW - Isogeometric Analysis KW - Finite Element Method Y1 - 2022 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:gbv:wim2-20220831-47102 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 -