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Tensile strain and compress strain can greatly affect the thermal conductivity of graphene nanoribbons (GNRs). However, the effect of GNRs under shear strain, which is also one of the main strain effect, has not been studied systematically yet. In this work, we employ reverse nonequilibrium molecular dynamics (RNEMD) to the systematical study of the thermal conductivity of GNRs (with model size of 4 nm × 15 nm) under the shear strain. Our studies show that the thermal conductivity of GNRs is not sensitive to the shear strain, and the thermal conductivity decreases only 12–16% before the pristine structure is broken. Furthermore, the phonon frequency and the change of the micro-structure of GNRs, such as band angel and bond length, are analyzed to explore the tendency of thermal conductivity. The results show that the main influence of shear strain is on the in-plane phonon density of states (PDOS), whose G band (higher frequency peaks) moved to the low frequency, thus the thermal conductivity is decreased. The unique thermal properties of GNRs under shear strains suggest their great potentials for graphene nanodevices and great potentials in the thermal managements and thermoelectric applications.
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.
Renewable energy use is on the rise and these alternative resources of energy can help combat with the climate change. Around 80% of the world's electricity comes from coal and petroleum however, the renewables are the fastest growing source of energy in the world. Solar, wind, hydro, geothermal and biogas are the most common forms of renewable energy. Among them, wind energy is emerging as a reliable and large-scaled source of power production. The recent research and confidence in the performance has led to the construction of more and bigger wind turbines around the world. As wind turbines are getting bigger, a concern regarding their safety is also in discussion. Wind turbines are expensive machinery to construct and the enormous capital investment is one of the main reasons, why many countries are unable to adopt to the wind energy. Generally, a reliable wind turbine will result in better performance and assist in minimizing the cost of operation. If a wind turbine fails, it's a loss of investment and can be harmful for the surrounding habitat. This thesis aims towards estimating the reliability of an offshore wind turbine. A model of Jacket type offshore wind turbine is prepared by using finite element software package ABAQUS and is compared with the structural failure criteria of the wind turbine tower. UQLab, which is a general uncertainty quantification framework developed at ETH Zürich, is used for the reliability analysis. Several probabilistic methods are included in the framework of UQLab, which include Monte Carlo, First Order Reliability Analysis and Adaptive Kriging Monte Carlo simulation. This reliability study is performed only for the structural failure of the wind turbine but it can be extended to many other forms of failures e.g. reliability for power production, or reliability for different component failures etc. It's a useful tool that can be utilized to estimate the reliability of future wind turbines, that could result in more safer and better performance of wind turbines.
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.
In recent years the demand on dynamic analyses of existing structures in civil engineering has remarkably increased. These analyses are mainly based on numerical models. Accordingly, the generated results depend on the quality of the used models. Therefore it is very important that the models describe the considered systems such that the behaviour of the physical structure is realistically represented. As any model is based on assumptions, there is always a certain degree of uncertainty present in the results of a simulation based on the respective numerical model. To minimise these uncertainties in the prediction of the response of a structure to a certain loading, it has become common practice to update or calibrate the parameters of a numerical model based on observations of the structural behaviour of the respective existing system.
The determination of the behaviour of an existing structure requires experimental investigations. If the numerical analyses concern the dynamic response of a structure it is sensible to direct the experimental investigations towards the identification of the dynamic structural behaviour which is determined by the modal parameters of the system. In consequence, several methods for the experimental identification of modal parameters have been developed since the 1980ies.
Due to various technical restraints in civil engineering which limit the possibilities to excitate a structure with economically reasonable effort, several methods have been developed that allow a modal identification form tests with an ambient excitation. The approach of identifying modal parameters only from measurements of the structural response without precise knowledge of the excitation is known as output-only or operational modal analysis.
Since operational modal analysis (OMA) can be considered as a link between numerical modelling and simulation on the one hand and the dynamic behaviour of an existing structure on the other hand, the respective algorithms connect both the concepts of structural dynamics and mathematical tools applied within the processing of experimental data. Accordingly, the related theoretical topics are revised after an introduction into the topic.
Several OMA methods have been developed over the last decades. The most established algorithms are presented here and their application is illustrated by means of both a small numerical and an experimental example. Since experimentally obtained results always underly manifold influences, an appropriate postprocessing of the results is necessary for a respective quality assessment. This quality assessment does not only require respective indicators but should also include the quantification of uncertainties.
One special feature in modal testing is that it is common to instrument the structure in different sensor setups to improve the spacial resolution of identified mode shapes. The modal information identified from tests in several setups needs to be merged a posteriori. Algorithms to cope with this problem are also presented.
Due to the fact that the amount of data generated in modal tests can become very large, manual processing can become extremely expensive or even impossible, for example in the case of a long-term continuous structural monitoring. In these situations an automated analysis and postprocessing are essential. Descriptions of respective methodologies are therefore also included in this work.
Every structural system in civil engineering is unique and so also every identification of modal parameters has its specific challenges. Some aspects that can be faced in practical applications of operational modal analysis are presented and discussed in a chapter that is dedicated specific problems that an analyst may have to overcome. Case studies of systems with very close modes, with limited accessibility as well as the application of different OMA methods are described and discussed. In this context the focus is put on several types of uncertainty that may occur in the multiple stages of an operational modal analysis. In literature only very specific uncertainties at certain stages of the analysis are addressed. Here, the topic of uncertainties has been considered in a broader sense and approaches for treating respective problems are suggested.
Eventually, it is concluded that the methodologies of operatinal modal analysis and related technical solutions have been well-engineered already. However, as in any discipline that includes experiments, a certain degree of uncertainty always remains in the results. From these conclusions has been derived a demand for further research and development that should be directed towards the minimisation of these uncertainties and to a respective optimisation of the steps and corresponding parameters included in an operational modal analysis.
The aim of this study is controlling of spurious oscillations developing around discontinuous solutions of both linear and non-linear wave equations or hyperbolic partial differential equations (PDEs). The equations include both first-order and second-order (wave) hyperbolic systems. In these systems even smooth initial conditions, or smoothly varying source (load) terms could lead to discontinuous propagating solutions (fronts). For the first order hyperbolic PDEs, the concept of central high resolution schemes is integrated with the multiresolution-based adaptation to capture properly both discontinuous propagating fronts and effects of fine-scale responses on those of larger scales in the multiscale manner. This integration leads to using central high resolution schemes on non-uniform grids; however, such simulation is unstable, as the central schemes are originally developed to work properly on uniform cells/grids. Hence, the main concern is stable collaboration of central schemes and multiresoltion-based cell adapters. Regarding central schemes, the considered approaches are: 1) Second order central and central-upwind schemes; 2) Third order central schemes; 3) Third and fourth order central weighted non-oscillatory schemes (central-WENO or CWENO); 4) Piece-wise parabolic methods (PPMs) obtained with two different local stencils. For these methods, corresponding (nonlinear) stability conditions are studied and modified, as well. Based on these stability conditions several limiters are modified/developed as follows: 1) Several second-order limiters with total variation diminishing (TVD) feature, 2) Second-order uniformly high order accurate non-oscillatory (UNO) limiters, 3) Two third-order nonlinear scaling limiters, 4) Two new limiters for PPMs. Numerical results show that adaptive solvers lead to cost-effective computations (e.g., in some 1-D problems, number of adapted grid points are less than 200 points during simulations, while in the uniform-grid case, to have the same accuracy, using of 2049 points is essential). Also, in some cases, it is confirmed that fine scale responses have considerable effects on higher scales.
In numerical simulation of nonlinear first order hyperbolic systems, the two main concerns are: convergence and uniqueness. The former is important due to developing of the spurious oscillations, the numerical dispersion and the numerical dissipation. Convergence in a numerical solution does not guarantee that it is the physical/real one (the uniqueness feature). Indeed, a nonlinear systems can converge to several numerical results (which mathematically all of them are true). In this work, the convergence and uniqueness are directly studied on non-uniform grids/cells by the concepts of local numerical truncation error and numerical entropy production, respectively. Also, both of these concepts have been used for cell/grid adaptations. So, the performance of these concepts is also compared by the multiresolution-based method. Several 1-D and 2-D numerical examples are examined to confirm the efficiency of the adaptive solver. Examples involve problems with convex and non-convex fluxes. In the latter case, due to developing of complex waves, proper capturing of real answers needs more attention. For this purpose, using of method-adaptation seems to be essential (in parallel to the cell/grid adaptation). This new type of adaptation is also performed in the framework of the multiresolution analysis.
Regarding second order hyperbolic PDEs (mechanical waves), the regularization concept is used to cure artificial (numerical) oscillation effects, especially for high-gradient or discontinuous solutions. There, oscillations are removed by the regularization concept acting as a post-processor. Simulations will be performed directly on the second-order form of wave equations. It should be mentioned that it is possible to rewrite second order wave equations as a system of first-order waves, and then simulated the new system by high resolution schemes. However, this approach ends to increasing of variable numbers (especially for 3D problems).
The numerical discretization is performed by the compact finite difference (FD) formulation with desire feature; e.g., methods with spectral-like or optimized-error properties. These FD methods are developed to handle high frequency waves (such as waves near earthquake sources). The performance of several regularization approaches is studied (both theoretically and numerically); at last, a proper regularization approach controlling the Gibbs phenomenon is recommended.
At the end, some numerical results are provided to confirm efficiency of numerical solvers enhanced by the regularization concept. In this part, shock-like responses due to local and abrupt changing of physical properties, and also stress wave propagation in stochastic-like domains are studied.
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.
Das Ziel der Arbeit ist, eine mögliche Verbesserung der Güte der Lebensdauervorhersage für Gusseisenwerkstoffe mit Kugelgraphit zu erreichen, wobei die Gießprozesse verschiedener Hersteller berücksichtigt werden.
Im ersten Schritt wurden Probenkörper aus GJS500 und GJS600 von mehreren Gusslieferanten gegossen und daraus Schwingproben erstellt.
Insgesamt wurden Schwingfestigkeitswerte der einzelnen gegossenen Proben sowie der Proben des Bauteils von verschiedenen Gussherstellern weltweit entweder durch direkte Schwingversuche oder durch eine Sammlung von Betriebsfestigkeitsversuchen bestimmt.
Dank der metallografischen Arbeit und Korrelationsanalyse konnten drei wesentliche Parameter zur Bestimmung der lokalen Dauerfestigkeit festgestellt werden: 1. statische Festigkeit, 2. Ferrit- und Perlitanteil der Mikrostrukturen und 3. Kugelgraphitanzahl pro Flächeneinheit.
Basierend auf diesen Erkenntnissen wurde ein neues Festigkeitsverhältnisdiagramm (sogenanntes Sd/Rm-SG-Diagramm) entwickelt.
Diese neue Methodik sollte vor allem ermöglichen, die Bauteildauerfestigkeit auf der Grundlage der gemessenen oder durch eine Gießsimulation vorhersagten lokalen Zugfestigkeitswerte sowie Mikrogefügenstrukturen besser zu prognostizieren.
Mithilfe der Versuche sowie der Gießsimulation ist es gelungen, unterschiedliche Methoden der Lebensdauervorhersage unter Berücksichtigung der Herstellungsprozesse weiterzuentwickeln.
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.
This paper presents a novel numerical procedure based on the combination of an edge-based smoothed finite element (ES-FEM) with a phantom-node method for 2D linear elastic fracture mechanics. In the standard phantom-node method, the cracks are formulated by adding phantom nodes, and the cracked element is replaced by two new superimposed elements. This approach is quite simple to implement into existing explicit finite element programs. The shape functions associated with discontinuous elements are similar to those of the standard finite elements, which leads to certain simplification with implementing in the existing codes. The phantom-node method allows modeling discontinuities at an arbitrary location in the mesh. The ES-FEM model owns a close-to-exact stiffness that is much softer than lower-order finite element methods (FEM). Taking advantage of both the ES-FEM and the phantom-node method, we introduce an edge-based strain smoothing technique for the phantom-node method. Numerical results show that the proposed method achieves high accuracy compared with the extended finite element method (XFEM) and other reference solutions.