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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.
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.
Since the Industrial Revolution in the 1700s, the high emission of gaseous wastes into the atmosphere from the usage of fossil fuels has caused a general increase in temperatures globally. To combat the environmental imbalance, there is an increase in the demand for renewable energy sources. Dams play a major role in the generation of “green" energy. However, these structures require frequent and strict monitoring to ensure safe and efficient operation. To tackle the challenges faced in the application of convention dam monitoring techniques, this work proposes the inverse analysis of numerical models to identify damaged regions in the dam. Using a dynamic coupled hydro-mechanical Extended Finite Element Method (XFEM) model and a global optimization strategy, damage (crack) in the dam is identified. By employing seismic waves to probe the dam structure, a more detailed information on the distribution of heterogeneous materials and damaged regions are obtained by the application of the Full Waveform Inversion (FWI) method. The FWI is based on a local optimization strategy and thus it is highly dependent on the starting model. A variety of data acquisition setups are investigated, and an optimal setup is proposed. The effect of different starting models and noise in the measured data on the damage identification is considered. Combining the non-dependence of a starting model of the global optimization strategy based dynamic coupled hydro-mechanical XFEM method and the detailed output of the local optimization strategy based FWI method, an enhanced Full Waveform Inversion is proposed for the structural analysis of dams.
The vibration control of the tall building during earthquake excitations is a challenging task due to their complex seismic behavior. This paper investigates the optimum placement and properties of the Tuned Mass Dampers (TMDs) in tall buildings, which are employed to control the vibrations during earthquakes. An algorithm was developed to spend a limited mass either in a single TMD or in multiple TMDs and distribute them optimally over the height of the building. The Non-dominated Sorting Genetic Algorithm (NSGA – II) method was improved by adding multi-variant genetic operators and utilized to simultaneously study the optimum design parameters of the TMDs and the optimum placement. The results showed that under earthquake excitations with noticeable amplitude in higher modes, distributing TMDs over the height of the building is more effective in mitigating the vibrations compared to the use of a single TMD system. From the optimization, it was observed that the locations of the TMDs were related to the stories corresponding to the maximum modal displacements in the lower modes and the stories corresponding to the maximum modal displacements in the modes which were highly activated by the earthquake excitations. It was also noted that the frequency content of the earthquake has significant influence on the optimum location of the TMDs.
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.
Matrix-free voxel-based finite element method for materials with heterogeneous microstructures
(2019)
Modern image detection techniques such as micro computer tomography
(μCT), magnetic resonance imaging (MRI) and scanning electron microscopy (SEM) provide us with high resolution images of the microstructure of materials in a non-invasive and convenient way. They form the basis for the geometrical models of high-resolution analysis, so called image-based analysis.
However especially in 3D, discretizations of these models reach easily the size of 100 Mill. degrees of freedoms and require extensive hardware resources in terms of main memory and computing power to solve the numerical model. Consequently, the focus of this work is to combine and adapt numerical solution methods to reduce the memory demand first and then the computation time and therewith enable an execution of the image-based analysis on modern computer desktops. Hence, the numerical model is a straightforward grid discretization of the voxel-based (pixels with a third dimension) geometry which omits the boundary detection algorithms and allows reduced storage of the finite element data structure and a matrix-free solution algorithm.
This in turn reduce the effort of almost all applied grid-based solution techniques and results in memory efficient and numerically stable algorithms for the microstructural models. Two variants of the matrix-free algorithm are presented. The efficient iterative solution method of conjugate gradients is used with matrix-free applicable preconditioners such as the Jacobi and the especially suited multigrid method. The jagged material boundaries of the voxel-based mesh are smoothed through embedded boundary elements which contain different material information at the integration point and are integrated sub-cell wise though without additional boundary detection. The efficiency of the matrix-free methods can be retained.
In this work, molecular separation of aqueous-organic was simulated by using combined soft computing-mechanistic approaches. The considered separation system was a microporous membrane contactor for separation of benzoic acid from water by contacting with an organic phase containing extractor molecules. Indeed, extractive separation is carried out using membrane technology where complex of solute-organic is formed at the interface. The main focus was to develop a simulation methodology for prediction of concentration distribution of solute (benzoic acid) in the feed side of the membrane system, as the removal efficiency of the system is determined by concentration distribution of the solute in the feed channel. The pattern of Adaptive Neuro-Fuzzy Inference System (ANFIS) was optimized by finding the optimum membership function, learning percentage, and a number of rules. The ANFIS was trained using the extracted data from the CFD simulation of the membrane system. The comparisons between the predicted concentration distribution by ANFIS and CFD data revealed that the optimized ANFIS pattern can be used as a predictive tool for simulation of the process. The R2 of higher than 0.99 was obtained for the optimized ANFIS model. The main privilege of the developed methodology is its very low computational time for simulation of the system and can be used as a rigorous simulation tool for understanding and design of membrane-based systems.
Highlights are, Molecular separation using microporous membranes. Developing hybrid model based on ANFIS-CFD for the separation process, Optimization of ANFIS structure for prediction of separation process
The production of a desired product needs an effective use of the experimental model. The present study proposes an extreme learning machine (ELM) and a support vector machine (SVM) integrated with the response surface methodology (RSM) to solve the complexity in optimization and prediction of the ethyl ester and methyl ester production process. The novel hybrid models of ELM-RSM and ELM-SVM are further used as a case study to estimate the yield of methyl and ethyl esters through a trans-esterification process from waste cooking oil (WCO) based on American Society for Testing and Materials (ASTM) standards. The results of the prediction phase were also compared with artificial neural networks (ANNs) and adaptive neuro-fuzzy inference system (ANFIS), which were recently developed by the second author of this study. Based on the results, an ELM with a correlation coefficient of 0.9815 and 0.9863 for methyl and ethyl esters, respectively, had a high estimation capability compared with that for SVM, ANNs, and ANFIS. Accordingly, the maximum production yield was obtained in the case of using ELM-RSM of 96.86% for ethyl ester at a temperature of 68.48 °C, a catalyst value of 1.15 wt. %, mixing intensity of 650.07 rpm, and an alcohol to oil molar ratio (A/O) of 5.77; for methyl ester, the production yield was 98.46% at a temperature of 67.62 °C, a catalyst value of 1.1 wt. %, mixing intensity of 709.42 rpm, and an A/O of 6.09. Therefore, ELM-RSM increased the production yield by 3.6% for ethyl ester and 3.1% for methyl ester, compared with those for the experimental data.
Management strategies for sustainable sugarcane production need to deal with the increasing complexity and variability of the whole sugar system. Moreover, they need to accommodate the multiple goals of different industry sectors and the wider community. Traditional disciplinary approaches are unable to provide integrated management solutions, and an approach based on whole systems analysis is essential to bring about beneficial change to industry and the community. The application of this approach to water management, environmental management and cane supply management is outlined, where the literature indicates that the application of extreme learning machine (ELM) has never been explored in this realm. Consequently, the leading objective of the current research was set to filling this gap by applying ELM to launch swift and accurate model for crop production data-driven. The key learning has been the need for innovation both in the technical aspects of system function underpinned by modelling of sugarcane growth. Therefore, the current study is an attempt to establish an integrate model using ELM to predict the concluding growth amount of sugarcane. Prediction results were evaluated and further compared with artificial neural network (ANN) and genetic programming models. Accuracy of the ELM model is calculated using the statistics indicators of Root Means Square Error (RMSE), Pearson Coefficient (r), and Coefficient of Determination (R2) with promising results of 0.8, 0.47, and 0.89, respectively. The results also show better generalization ability in addition to faster learning curve. Thus, proficiency of the ELM for supplementary work on advancement of prediction model for sugarcane growth was approved with promising results.
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.
Polymeric nanocomposites (PNCs) are considered for numerous nanotechnology such as: nano-biotechnology, nano-systems, nanoelectronics, and nano-structured materials. Commonly , they are formed by polymer (epoxy) matrix reinforced with a nanosized filler. The addition of rigid nanofillers to the epoxy matrix has offered great improvements in the fracture toughness without sacrificing other important thermo-mechanical properties. The physics of the fracture in PNCs is rather complicated and is influenced by different parameters. The presence of uncertainty in the predicted output is expected as a result of stochastic variance in the factors affecting the fracture mechanism. Consequently, evaluating the improved fracture toughness in PNCs is a challenging problem.
Artificial neural network (ANN) and adaptive neuro-fuzzy inference system (ANFIS) have been employed to predict the fracture energy of polymer/particle nanocomposites. The ANN and ANFIS models were constructed, trained, and tested based on a collection of 115 experimental datasets gathered from the literature. The performance evaluation indices of the developed ANN and ANFIS showed relatively small error, with high coefficients of determination (R2), and low root mean square error and mean absolute percentage error.
In the framework for uncertainty quantification of PNCs, a sensitivity analysis (SA) has been conducted to examine the influence of uncertain input parameters on the fracture toughness of polymer/clay nanocomposites (PNCs). The phase-field approach is employed to predict the macroscopic properties of the composite considering six uncertain input parameters. The efficiency, robustness, and repeatability are compared and evaluated comprehensively for five different SA methods.
The Bayesian method is applied to develop a methodology in order to evaluate the performance of different analytical models used in predicting the fracture toughness of polymeric particles nanocomposites. The developed method have considered the model and parameters uncertainties based on different reference data (experimental measurements) gained from the literature. Three analytical models differing in theory and assumptions were examined. The coefficients of variation of the model predictions to the measurements are calculated using the approximated optimal parameter sets. Then, the model selection probability is obtained with respect to the different reference data.
Stochastic finite element modeling is implemented to predict the fracture toughness of polymer/particle nanocomposites. For this purpose, 2D finite element model containing an epoxy matrix and rigid nanoparticles surrounded by an interphase zone is generated. The crack propagation is simulated by the cohesive segments method and phantom nodes. Considering the uncertainties in the input parameters, a polynomial chaos expansion (PCE) surrogate model is construed followed by a sensitivity analysis.
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.
The phenomenon of aerodynamic instability caused by the wind is usually a major design criterion for long-span cable-supported bridges. If the wind speed exceeds the critical flutter speed of the bridge, this constitutes an Ultimate Limit State. The prediction of the flutter boundary, therefore, requires accurate and robust models. The complexity and uncertainty of models for such engineering problems demand strategies for model assessment. This study is an attempt to use the concepts of sensitivity and uncertainty analyses to assess the aeroelastic instability prediction models for long-span bridges. The state-of-the-art theory concerning the determination of the flutter stability limit is presented. Since flutter is a coupling of aerodynamic forcing with a structural dynamics problem, different types and classes of structural and aerodynamic models can be combined to study the interaction. Here, both numerical approaches and analytical models are utilised and coupled in different ways to assess the prediction quality of the coupled model.
Biodiesel, as the main alternative fuel to diesel fuel which is produced from renewable and available resources, improves the engine emissions during combustion in diesel engines. In this study, the biodiesel is produced initially from waste cooking oil (WCO). The fuel samples are applied in a diesel engine and the engine performance has been considered from the viewpoint of exergy and energy approaches. Engine tests are performed at a constant 1500 rpm speed with various loads and fuel samples. The obtained experimental data are also applied to develop an artificial neural network (ANN) model. Response surface methodology (RSM) is employed to optimize the exergy and energy efficiencies. Based on the results of the energy analysis, optimal engine performance is obtained at 80% of full load in presence of B10 and B20 fuels. However, based on the exergy analysis results, optimal engine performance is obtained at 80% of full load in presence of B90 and B100 fuels. The optimum values of exergy and energy efficiencies are in the range of 25–30% of full load, which is the same as the calculated range obtained from mathematical modeling.
The main categories of wind effects on long span bridge decks are buffeting, flutter, vortex-induced vibrations (VIV) which are often critical for the safety and serviceability of the structure. With the rapid increase of bridge spans, research on controlling wind-induced vibrations of long span bridges has been a problem of great concern.The developments of vibration control theories have led to the wide use of tuned mass dampers (TMDs) which has been proven to be effective for suppressing these vibrations both analytically and experimentally. Fire incidents are also of special interest in the stability and safety of long span bridges due to significant role of the complex phenomenon through triple interaction between the deck with the incoming wind flow and the thermal boundary of the surrounding air.
This work begins with analyzing the buffeting response and flutter instability of three dimensional computational structural dynamics (CSD) models of a cable stayed bridge due to strong wind excitations using ABAQUS finite element commercial software. Optimization and global sensitivity analysis are utilized to target the vertical and torsional vibrations of the segmental deck through considering three aerodynamic parameters (wind attack angle, deck streamlined length and viscous damping of the stay cables). The numerical simulations results in conjunction with the frequency analysis results emphasized the existence of these vibrations and further theoretical studies are possible with a high level of accuracy. Model validation is performed by comparing the results of lift and moment coefficients between the created CSD models and two benchmarks from the literature (flat plate theory) and flat plate by (Xavier and co-authors) which resulted in very good agreements between them. Optimum values of the parameters have been identified. Global sensitivity analysis based on Monte Carlo sampling method was utilized to formulate the surrogate models and calculate the sensitivity indices. The rational effect and the role of each parameter on the aerodynamic stability of the structure were calculated and efficient insight has been constructed for the stability of the long span bridge.
2D computational fluid dynamics (CFD) models of the decks are created with the support of MATLAB codes to simulate and analyze the vortex shedding and VIV of the deck. Three aerodynamic parameters (wind speed, deck streamlined length and dynamic viscosity of the air) are dedicated to study their effects on the kinetic energy of the system and the vortices shapes and patterns. Two benchmarks from the literature (Von Karman) and (Dyrbye and Hansen) are used to validate the numerical simulations of the vortex shedding for the CFD models. A good consent between the results was detected. Latin hypercube experimental
method is dedicated to generate the surrogate models for the kinetic energy of the system and the generated lift forces. Variance based sensitivity analysis is utilized to calculate the main sensitivity indices and the interaction orders for each parameter. The kinetic energy approach performed very well in revealing the rational effect and the role of each parameter in the generation of vortex shedding and predicting the early VIV and the critical wind speed.
Both one-way fluid-structure interaction (one-way FSI) simulations and two-way fluid-structure interaction (two-way FSI) co-simulations for the 2D models of the deck are executed to calculate the shedding frequencies for the associated wind speeds in the lock-in region in addition to the lift and drag coefficients. Validation is executed with the results of (Simiu and Scanlan) and the results of flat plate theory compiled by (Munson and co-authors) respectively. High levels of agreements between all the results were detected. A decrease in the critical wind speed and the shedding frequencies considering (two-way FSI) was identified compared to those obtained in the (one-way FSI). The results from the (two-way FSI) approach predicted appreciable decrease in the lift and drag forces as well as prediction of earlier VIV for lower critical wind speeds and lock-in regions which exist at lower natural frequencies of the system. These conclusions help the designers to efficiently plan and consider for the design and safety of the long span bridge before and after construction.
Multiple tuned mass dampers (MTMDs) system has been applied in the three dimensional CSD models of the cable stayed bridge to analyze their control efficiency in suppressing both wind -induced vertical and torsional vibrations of the deck by optimizing three design parameters (mass ratio, frequency ratio and damping ratio) for the (TMDs) supporting on actual field data and minimax optimization technique in addition to MATLAB codes and Fast Fourier Transform technique. The optimum values of each parameter were identified and validated with two benchmarks from the literature, first with (Wang and co-authors) and then with (Lin and co-authors). The validation procedure detected a good agreement between the results. Box-Behnken experimental method is dedicated to formulate the surrogate models to represent the control efficiency of the vertical and torsional vibrations. Sobol's sensitivity indices are calculated for the design parameters in addition to their interaction orders. The optimization results revealed better performance of the MTMDs in controlling both the vertical and the torsional vibrations for higher mode shapes. Furthermore, the calculated rational effect of each design parameter facilitates to increase the control efficiency of the MTMDs in conjunction with the support of the surrogate models which simplifies the process of analysis for vibration control to a great extent.
A novel structural modification approach has been adopted to eliminate the early coupling between the bending and torsional mode shapes of the cable stayed bridge. Two lateral steel
beams are added to the middle span of the structure. Frequency analysis is dedicated to obtain the natural frequencies of the first eight mode shapes of vibrations before and after the structural modification. Numerical simulations of wind excitations are conducted for the 3D model of the cable stayed bridge. Both vertical and torsional displacements are calculated at the mid span of the deck to analyze the bending and the torsional stiffness of the system before and after the structural modification. The results of the frequency analysis after applying lateral steel beams declared that the coupling between the vertical and torsional mode shapes of vibrations has been removed to larger natural frequencies magnitudes and higher rare critical wind speeds with a high factor of safety.
Finally, thermal fluid-structure interaction (TFSI) and coupled thermal-stress analysis are utilized to identify the effects of transient and steady state heat-transfer on the VIV and fatigue of the deck due to fire incidents. Numerical simulations of TFSI models of the deck are dedicated to calculate the lift and drag forces in addition to determining the lock-in regions once using FSI models and another using TFSI models. Vorticity and thermal fields of three fire scenarios are simulated and analyzed. The benchmark of (Simiu and Scanlan) is used to validate the TFSI models, where a good agreement was manifested between the two results. Extended finite element method (XFEM) is adopted to create 3D models of the cable stayed bridge to simulate the fatigue of the deck considering three fire scenarios. The benchmark of (Choi and Shin) is used to validate the damaged models of the deck in which a good coincide was seen between them. The results revealed that the TFSI models and the coupled thermal-stress models are significant in detecting earlier vortex induced vibration and lock-in regions in addition to predicting damages and fatigue of the deck and identifying the role of wind-induced vibrations in speeding up the damage generation and the collapse of the structure in critical situations.
Phase Field Modeling for Fracture with Applications to Homogeneous and Heterogeneous Materials
(2017)
The thesis presents an implementation including different applications of a variational-based approach for gradient type standard dissipative solids. Phase field model for brittle fracture is an application of the variational-based framework for gradient type solids. This model allows the prediction of different crack topologies and states. Of significant concern is the application of theoretical and numerical formulation of the phase field modeling into the commercial finite element software Abaqus in 2D and 3D. The fully coupled incremental variational formulation of phase field method is implemented by using the UEL and UMAT subroutines of Abaqus. The phase field method
considerably reduces the implementation complexity of fracture problems as it removes the need for numerical tracking of discontinuities in the displacement field that are characteristic of discrete crack methods. This is accomplished by replacing the sharp discontinuities with a scalar damage phase field representing the diffuse crack topology wherein the amount of diffusion is controlled by a regularization parameter. The nonlinear coupled system consisting of the linear momentum equation and a diffusion type equation governing the phase field evolution is solved simultaneously via a Newton-
Raphson approach. Post-processing of simulation results to be used as visualization
module is performed via an additional UMAT subroutine implemented in the standard Abaqus viewer.
In the same context, we propose a simple yet effective algorithm to initiate and propagate cracks in 2D geometries which is independent of both particular constitutive laws and specific element technology and dimension. It consists of a localization limiter in the form of the screened Poisson equation with, optionally, local mesh refinement. A staggered scheme for standard equilibrium and screened Cauchy equations is used. The remeshing part of the algorithm consists of a sequence of mesh subdivision and element erosion steps. Element subdivision is based on edge split operations using a
given constitutive quantity (either damage or void fraction). Mesh smoothing makes use of edge contraction as function of a given constitutive quantity such as the principal stress or void fraction. To assess the robustness and accuracy of this algorithm, we use both quasi-brittle benchmarks and ductile tests.
Furthermore, we introduce a computational approach regarding mechanical loading in microscale on an inelastically deforming composite material. The nanocomposites material of fully exfoliated clay/epoxy is shaped to predict macroscopic elastic and fracture related material parameters based on their fine–scale features. Two different configurations of polymer nanocomposites material (PNCs) have been studied. These configurations are fully bonded PNCs and PNCs with an interphase zone formation between the matrix and the clay reinforcement. The representative volume element of PNCs specimens with different clay weight contents, different aspect ratios, and different
interphase zone thicknesses are generated by adopting Python scripting. Different constitutive models are employed for the matrix, the clay platelets, and the interphase zones. The brittle fracture behavior of the epoxy matrix and the interphase zones material are modeled using the phase field approach, whereas the stiff silicate clay platelets of the composite are designated as a linear elastic material. The comprehensive study investigates the elastic and fracture behavior of PNCs composites, in addition to predict Young’s modulus, tensile strength, fracture toughness, surface energy dissipation, and cracks surface area in the composite for different material parameters, geometry, and interphase zones properties and thicknesses.
A coupled thermo-hydro-mechanical model of jointed hard rock for compressed air energy storage
(2014)
Renewable energy resources such as wind and solar are intermittent, which causes instability when being connected to utility grid of electricity. Compressed air energy storage (CAES) provides an economic and technical viable solution to this problem by utilizing subsurface rock cavern to store the electricity generated by renewable energy in the form of compressed air. Though CAES has been used for over three decades, it is only restricted to salt rock or aquifers for air tightness reason. In this paper, the technical feasibility of utilizing hard rock for CAES is investigated by using a coupled thermo-hydro-mechanical (THM) modelling of nonisothermal gas flow. Governing equations are derived from the rules of energy balance, mass balance, and static equilibrium. Cyclic volumetric mass source and heat source models are applied to simulate the gas injection and production. Evaluation is carried out for intact rock and rock with discrete crack, respectively. In both cases, the heat and pressure losses using air mass control and supplementary air injection are compared.
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.
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.
A simple multiscale analysis framework for heterogeneous solids based on a computational homogenization technique is presented. The macroscopic strain is linked kinematically to the boundary displacement of a circular or spherical representative volume which contains the microscopic information of the material. The macroscopic stress is obtained from the energy principle between the macroscopic scale and the microscopic scale. This new method is applied to several standard examples to show its accuracy and consistency of the method proposed.
We conducted extensive molecular dynamics simulations to investigate the thermal conductivity of polycrystalline hexagonal boron-nitride (h-BN) films. To this aim, we constructed large atomistic models of polycrystalline h-BN sheets with random and uniform grain configuration. By performing equilibrium molecular dynamics (EMD) simulations, we investigated the influence of the average grain size on the thermal conductivity of polycrystalline h-BN films at various temperatures. Using the EMD results, we constructed finite element models of polycrystalline h-BN sheets to probe the thermal conductivity of samples with larger grain sizes. Our multiscale investigations not only provide a general viewpoint regarding the heat conduction in h-BN films but also propose that polycrystalline h-BN sheets present high thermal conductivity comparable to monocrystalline sheets.
We investigate the thermal conductivity in the armchair and zigzag MoS2 nanoribbons, by combining the non-equilibrium Green's function approach and the first-principles method. A strong orientation dependence is observed in the thermal conductivity. Particularly, the thermal conductivity for the armchair MoS2 nanoribbon is about 673.6 Wm−1 K−1 in the armchair nanoribbon, and 841.1 Wm−1 K−1 in the zigzag nanoribbon at room temperature. By calculating the Caroli transmission, we disclose the underlying mechanism for this strong orientation dependence to be the fewer phonon transport channels in the armchair MoS2 nanoribbon in the frequency range of [150, 200] cm−1. Through the scaling of the phonon dispersion, we further illustrate that the thermal conductivity calculated for the MoS2 nanoribbon is esentially in consistent with the superior thermal conductivity found for graphene.
In this study, an application of evolutionary multi-objective optimization algorithms on the optimization of sandwich structures is presented. The solution strategy is known as Elitist Non-Dominated Sorting Evolution Strategy (ENSES) wherein Evolution Strategies (ES) as Evolutionary Algorithm (EA) in the elitist Non-dominated Sorting Genetic algorithm (NSGA-II) procedure. Evolutionary algorithm seems a compatible approach to resolve multi-objective optimization problems because it is inspired by natural evolution, which closely linked to Artificial Intelligence (AI) techniques and elitism has shown an important factor for improving evolutionary multi-objective search. In order to evaluate the notion of performance by ENSES, the well-known study case of sandwich structures are reconsidered. For Case 1, the goals of the multi-objective optimization are minimization of the deflection and the weight of the sandwich structures. The length, the core and skin thicknesses are the design variables of Case 1. For Case 2, the objective functions are the fabrication cost, the beam weight and the end deflection of the sandwich structures. There are four design variables i.e., the weld height, the weld length, the beam depth and the beam width in Case 2. Numerical results are presented in terms of Paretooptimal solutions for both evaluated cases.
The point collocation method of finite spheres (PCMFS) is used to model the hyperelastic response of soft biological tissue in real time within the framework of virtual surgery simulation. The proper orthogonal decomposition (POD) model order reduction (MOR) technique was used to achieve reduced-order model of the problem, minimizing computational cost. The PCMFS is a physics-based meshfree numerical technique for real-time simulation of surgical procedures where the approximation functions are applied directly on the strong form of the boundary value problem without the need for integration, increasing computational efficiency. Since computational speed has a significant role in simulation of surgical procedures, the proposed technique was able to model realistic nonlinear behavior of organs in real time. Numerical results are shown to demonstrate the effectiveness of the new methodology through a comparison between full and reduced analyses for several nonlinear problems. It is shown that the proposed technique was able to achieve good agreement with the full model; moreover, the computational and data storage costs were significantly reduced.
The node moving and multistage node enrichment adaptive refinement procedures are extended in mixed discrete least squares meshless (MDLSM) method for efficient analysis of elasticity problems. In the formulation of MDLSM method, mixed formulation is accepted to avoid second-order differentiation of shape functions and to obtain displacements and stresses simultaneously. In the refinement procedures, a robust error estimator based on the value of the least square residuals functional of the governing differential equations and its boundaries at nodal points is used which is inherently available from the MDLSM formulation and can efficiently identify the zones with higher numerical errors. The results are compared with the refinement procedures in the irreducible formulation of discrete least squares meshless (DLSM) method and show the accuracy and efficiency of the proposed procedures. Also, the comparison of the error norms and convergence rate show the fidelity of the proposed adaptive refinement procedures in the MDLSM method.
Paraffin Nanocomposites for Heat Management of Lithium-Ion Batteries: A Computational Investigation
(2016)
Lithium-ion (Li-ion) batteries are currently considered as vital components for advances in mobile technologies such as those in communications and transport. Nonetheless, Li-ion batteries suffer from temperature rises which sometimes lead to operational damages or may even cause fire. An appropriate solution to control the temperature changes during the operation of Li-ion batteries is to embed batteries inside a paraffin matrix to absorb and dissipate heat. In the present work, we aimed to investigate the possibility of making paraffin nanocomposites for better heat management of a Li-ion battery pack. To fulfill this aim, heat generation during a battery charging/discharging cycles was simulated using Newman’s well established electrochemical pseudo-2D model. We couple this model to a 3D heat transfer model to predict the temperature evolution during the battery operation. In the later model, we considered different paraffin nanocomposites structures made by the addition of graphene, carbon nanotubes, and fullerene by assuming the same thermal conductivity for all fillers. This way, our results mainly correlate with the geometry of the fillers. Our results assess the degree of enhancement in heat dissipation of Li-ion batteries through the use of paraffin nanocomposites. Our results may be used as a guide for experimental set-ups to improve the heat management of Li-ion batteries.
The current study attempts to recognise an adequate classification for a semi-rigid beam-to-column connection by investigating strength, stiffness and ductility. For this purpose, an experimental test was carried out to investigate the moment-rotation (M-theta) features of flush end-plate (FEP) connections including variable parameters like size and number of bolts, thickness of end-plate, and finally, size of beams and columns. The initial elastic stiffness and ultimate moment capacity of connections were determined by an extensive analytical procedure from the proposed method prescribed by ANSI/AISC 360-10, and Eurocode 3 Part 1-8 specifications. The behaviour of beams with partially restrained or semi-rigid connections were also studied by incorporating classical analysis methods. The results confirmed that thickness of the column flange and end-plate substantially govern over the initial rotational stiffness of of flush end-plate connections. The results also clearly showed that EC3 provided a more reliable classification index for flush end-plate (FEP) connections. The findings from this study make significant contributions to the current literature as the actual response characteristics of such connections are non-linear. Therefore, such semirigid behaviour should be used to for an analysis and design method.
The extended finite element method (XFEM) offers an elegant tool to model material discontinuities and cracks within a regular mesh, so that the element edges do not necessarily coincide with the discontinuities. This allows the modeling of propagating cracks without the requirement to adapt the mesh incrementally. Using a regular mesh offers the advantage, that simple refinement strategies based on the quadtree data structure can be used to refine the mesh in regions, that require a high mesh density. An additional benefit of the XFEM is, that the transmission of cohesive forces through a crack can be modeled in a straightforward way without introducing additional interface elements. Finally different criteria for the determination of the crack propagation angle are investigated and applied to numerical tests of cracked concrete specimens, which are compared with experimental results.
Major problems of applying selective sensitivity to system identification are requirement of precise knowledge about the system parameters and realization of the required system of forces. This work presents a procedure which is able to deriving selectively sensitive excitation by iterative experiments. The first step is to determine the selectively sensitive displacement and selectively sensitive force patterns. These values are obtained by introducing the prior information of system parameters into an optimization which minimizes the sensitivities of the structure response with respect to the unselected parameters while keeping the sensitivities with respect to the selected parameters as a constant. In a second step the force pattern is used to derive dynamic loads on the tested structure and measurements are carried out. An automatic control ensures the required excitation forces. In a third step, measured outputs are employed to update the prior information. The strategy is to minimize the difference between a predicted displacement response, formulated as function of the unknown parameters and the measured displacements, and the selectively sensitive displacement calculated in the first step. With the updated values of the parameters a re-analysis of selective sensitivity is performed and the experiment is repeated until the displacement response of the model and the actual structure are conformed. As an illustration a simply supported beam made of steel, vibrated by harmonic excitation is investigated, thereby demonstrating that the adaptive excitation can be obtained efficiently.
The Element-free Galerkin Method has become a very popular tool for the simulation of mechanical problems with moving boundaries. The internally applied Moving Least Squares approximation uses in general Gaussian or cubic weighting functions and has compact support. Due to the approximative character of this method the obtained shape functions do not fulfill the interpolation condition, which causes additional numerical effort for the imposition of the essential boundary conditions. The application of a singular weighting function, which leads to singular coefficient matrices at the nodes, can solve this problem, but requires a very careful placement of the integration points. Special procedures for the handling of such singular matrices were proposed in literature, which require additional numerical effort. In this paper a non-singular weighting function is presented, which leads to an exact fulfillment of the interpolation condition. This weighting function leads to regular values of the weights and the coefficient matrices in the whole interpolation domain even at the nodes. Furthermore this function gives much more stable results for varying size of the influence radius and for strongly distorted nodal arrangements than classical weighting function types. Nevertheless, for practical applications the results are similar as these obtained with the regularized weighting type presented by the authors in previous publications. Finally a new concept will be presented, which enables an efficient analysis of systems with strongly varying node density. In this concept the nodal influence domains are adapted depending on the nodal configuration by interpolating the influence radius for each direction from the distances to the natural neighbor nodes. This approach requires a Voronoi diagram of the domain, which is available in this study since Delaunay triangles are used as integration background cells. In the numerical examples it will be shown, that this method leads to a more uniform and reduced number of influencing nodes for systems with varying node density than the classical circular influence domains, which means that the small additional numerical effort for interpolating the influence radius leads to remarkable reduction of the total numerical cost in a linear analysis while obtaining similar results. For nonlinear calculations this advantage would be even more significant.
The modeling of crack propagation in plain and reinforced concrete structures is still a field for many researchers. If a macroscopic description of the cohesive cracking process of concrete is applied, generally the Fictitious Crack Model is utilized, where a force transmission over micro cracks is assumed. In the most applications of this concept the cohesive model represents the relation between the normal crack opening and the normal stress, which is mostly defined as an exponential softening function, independently from the shear stresses in tangential direction. The cohesive forces are then calculated only from the normal stresses. By Carol et al. 1997 an improved model was developed using a coupled relation between the normal and shear damage based on an elasto-plastic constitutive formulation. This model is based on a hyperbolic yield surface depending on the normal and the shear stresses and on the tensile and shear strength. This model also represents the effect of shear traction induced crack opening. Due to the elasto-plastic formulation, where the inelastic crack opening is represented by plastic strains, this model is limited for applications with monotonic loading. In order to enable the application for cases with un- and reloading the existing model is extended in this study using a combined plastic-damage formulation, which enables the modeling of crack opening and crack closure. Furthermore the corresponding algorithmic implementation using a return mapping approach is presented and the model is verified by means of several numerical examples. Finally an investigation concerning the identification of the model parameters by means of neural networks is presented. In this analysis an inverse approximation of the model parameters is performed by using a given set of points of the load displacement curves as input values and the model parameters as output terms. It will be shown, that the elasto-plastic model parameters could be identified well with this approach, but require a huge number of simulations.
In engineering science the modeling and numerical analysis of complex systems and relations plays an important role. In order to realize such an investigation, for example a stochastic analysis, in a reasonable computational time, approximation procedure have been developed. A very famous approach is the response surface method, where the relation between input and output quantities is represented for example by global polynomials or local interpolation schemes as Moving Least Squares (MLS). In recent years artificial neural networks (ANN) have been applied as well for such purposes. Recently an adaptive response surface approach for reliability analyses was proposed, which is very efficient concerning the number of expensive limit state function evaluations. Due to the applied simplex interpolation the procedure is limited to small dimensions. In this paper this approach is extended for larger dimensions using combined ANN and MLS response surfaces for evaluating the adaptation criterion with only one set of joined limit state points. As adaptation criterion a combination by using the maximum difference in the conditional probabilities of failure and the maximum difference in the approximated radii is applied. Compared to response surfaces on directional samples or to plain directional sampling the failure probability can be estimated with a much smaller number of limit state points.
The design and application of high performance materials demands extensive knowledge of the materials damage behavior, which significantly depends on the meso- and microstructural complexity. Numerical simulations of crack growth on multiple length scales are promising tools to understand the damage phenomena in complex materials. In polycrystalline materials it has been observed that the grain boundary decohesion is one important mechanism that leads to micro crack initiation. Following this observation the paper presents a polycrystal mesoscale model consisting of grains with orthotropic material behavior and cohesive interfaces along grain boundaries, which is able to reproduce the crack initiation and propagation along grain boundaries in polycrystalline materials. With respect to the importance of modeling the geometry of the grain structure an advanced Voronoi algorithm is proposed to generate realistic polycrystalline material structures based on measured grain size distribution. The polycrystal model is applied to investigate the crack initiation and propagation in statically loaded representative volume elements of aluminum on the mesoscale without the necessity of initial damage definition. Future research work is planned to include the mesoscale model into a multiscale model for the damage analysis in polycrystalline materials.
Advanced finite elements are proposed for the mechanical analysis of heterogeneous materials. The approximation quality of these finite elements can be controlled by a variable order of B-spline shape functions. An element-based formulation is developed such that the finite element problem can iteratively be solved without storing a global stiffness matrix. This memory saving allows for an essential increase of problem size. The heterogeneous material is modelled by projection onto a uniform, orthogonal grid of elements. Conventional, strictly grid-based finite element models show severe oscillating defects in the stress solutions at material interfaces. This problem is cured by the extension to multiphase finite elements. This concept enables to define a heterogeneous material distribution within the finite element. This is possible by a variable number of integration points to each of which individual material properties can be assigned. Based on an interpolation of material properties at nodes and further smooth interpolation within the finite elements, a continuous material function is established. With both, continuous B-spline shape function and continuous material function, also the stress solution will be continuous in the domain. The inaccuracy implied by the continuous material field is by far less defective than the prior oscillating behaviour of stresses. One- and two-dimensional numerical examples are presented.
The present paper is part of a comprehensive approach of grid-based modelling. This approach includes geometrical modelling by pixel or voxel models, advanced multiphase B-spline finite elements of variable order and fast iterative solver methods based on the multigrid method. So far, we have only presented these grid-based methods in connection with linear elastic analysis of heterogeneous materials. Damage simulation demands further considerations. The direct stress solution of standard bilinear finite elements is severly defective, especially along material interfaces. Besides achieving objective constitutive modelling, various nonlocal formulations are applied to improve the stress solution. Such a corrective data processing can either refer to input data in terms of Young's modulus or to the attained finite element stress solution, as well as to a combination of both. A damage-controlled sequentially linear analysis is applied in connection with an isotropic damage law. Essentially by a high resolution of the heterogeneous solid, local isotropic damage on the material subscale allows to simulate complex damage topologies such as cracks. Therefore anisotropic degradation of a material sample can be simulated. Based on an effectively secantial global stiffness the analysis is numerically stable. The iteration step size is controlled for an adequate simulation of the damage path. This requires many steps, but in the iterative solution process each new step starts with the solution of the prior step. Therefore this method is quite effective. The present paper provides an introduction of the proposed concept for a stable simulation of damage in heterogeneous solids.
A fast solver method called the multigrid preconditioned conjugate gradient method is proposed for the mechanical analysis of heterogeneous materials on the mesoscale. Even small samples of a heterogeneous material such as concrete show a complex geometry of different phases. These materials can be modelled by projection onto a uniform, orthogonal grid of elements. As one major problem the possible resolution of the concrete specimen is generally restricted due to (a) computation times and even more critical (b) memory demand. Iterative solvers can be based on a local element-based formulation while orthogonal grids consist of geometrical identical elements. The element-based formulation is short and transparent, and therefore efficient in implementation. A variation of the material properties in elements or integration points is possible. The multigrid method is a fast iterative solver method, where ideally the computational effort only increases linear with problem size. This is an optimal property which is almost reached in the implementation presented here. In fact no other method is known which scales better than linear. Therefore the multigrid method gains in importance the larger the problem becomes. But for heterogeneous models with very large ratios of Young's moduli the multigrid method considerably slows down by a constant factor. Such large ratios occur in certain heterogeneous solids, as well as in the damage analysis of solids. As solution to this problem the multigrid preconditioned conjugate gradient method is proposed. A benchmark highlights the multigrid preconditioned conjugate gradient method as the method of choice for very large ratio's of Young's modulus. A proposed modified multigrid cycle shows good results, in the application as stand-alone solver or as preconditioner.
In this paper an adaptive heterogeneous multiscale model, which couples two substructures with different length scales into one numerical model is introduced for the simulation of damage in concrete. In the presented approach the initiation, propagation and coalescence of microcracks is simulated using a mesoscale model, which explicitly represents the heterogeneous material structure of concrete. The mesoscale model is restricted to the damaged parts of the structure, whereas the undamaged regions are simulated on the macroscale. As a result an adaptive enlargement of the mesoscale model during the simulation is necessary. In the first part of the paper the generation of the heterogeneous mesoscopic structure of concrete, the finite element discretization of the mesoscale model, the applied isotropic damage model and the cohesive zone model are briefly introduced. Furthermore the mesoscale simulation of a uniaxial tension test of a concrete prism is presented and own obtained numerical results are compared to experimental results. The second part is focused on the adaptive heterogeneous multiscale approach. Indicators for the model adaptation and for the coupling between the different numerical models will be introduced. The transfer from the macroscale to the mesoscale and the adaptive enlargement of the mesoscale substructure will be presented in detail. A nonlinear simulation of a realistic structure using an adaptive heterogeneous multiscale model is presented at the end of the paper to show the applicability of the proposed approach to large-scale structures.
PARAMETER IDENTIFICATION OF MESOSCALE MODELS FROM MACROSCOPIC TESTS USING BAYESIAN NEURAL NETWORKS
(2010)
In this paper, a parameter identification procedure using Bayesian neural networks is proposed. Based on a training set of numerical simulations, where the material parameters are simulated in a predefined range using Latin Hypercube sampling, a Bayesian neural network, which has been extended to describe the noise of multiple outputs using a full covariance matrix, is trained to approximate the inverse relation from the experiment (displacements, forces etc.) to the material parameters. The method offers not only the possibility to determine the parameters itself, but also the accuracy of the estimate and the correlation between these parameters. As a result, a set of experiments can be designed to calibrate a numerical model.
The numerical simulation of microstructure models in 3D requires, due to enormous d.o.f., significant resources of memory as well as parallel computational power. Compared to homogeneous materials, the material hetrogeneity on microscale induced by different material phases demand for adequate computational methods for discretization and solution process of the resulting highly nonlinear problem. To enable an efficient/scalable solution process of the linearized equation systems the heterogeneous FE problem will be described by a FETI-DP (Finite Element Tearing and Interconnecting - Dual Primal) discretization. The fundamental FETI-DP equation can be solved by a number of different approaches. In our approach the FETI-DP problem will be reformulated as Saddle Point system, by eliminating the primal and Lagrangian variables. For the reduced Saddle Point system, only defined by interior and dual variables, special Uzawa algorithms can be adapted for iteratively solving the FETI-DP saddle-point equation system (FETI-DP SPE). A conjugate gradient version of the Uzawa algorithm will be shown as well as some numerical tests regarding to FETI-DP discretization of small examples using the presented solution technique. Furthermore the inversion of the interior-dual Schur complement operator can be approximated using different techniques building an adequate preconditioning matrix and therewith leading to substantial gains in computing time efficiency.
A four-node quadrilateral shell element with smoothed membrane-bending based on Mindlin-Reissner theory is proposed. The element is a combination of a plate bending and membrane element. It is based on mixed interpolation where the bending and membrane stiffness matrices are calculated on the boundaries of the smoothing cells while the shear terms are approximated by independent interpolation functions in natural coordinates. The proposed element is robust, computationally inexpensive and free of locking. Since the integration is done on the element boundaries for the bending and membrane terms, the element is more accurate than the MITC4 element for distorted meshes. This will be demonstrated for several numerical examples.
The thesis investigates at the computer aided simulation process for operational vibration analysis of complex coupled systems. As part of the internal methods project “Absolute Values” of the BMW Group, the thesis deals with the analysis of the structural dynamic interactions and excitation interactions. The overarching aim of the methods project is to predict the operational vibrations of engines.
Simulations are usually used to analyze technical aspects (e. g. operational vibrations, strength, ...) of single components in the industrial development. The boundary conditions of submodels are mostly based on experiences. So the interactions with neighboring components and systems are neglected. To get physically more realistic results but still efficient simulations, this work wants to support the engineer during the preprocessing phase by useful criteria.
At first suitable abstraction levels based on the existing literature are defined to identify structural dynamic interactions and excitation interactions of coupled systems. So it is possible to separate different effects of the coupled subsystems. On this basis, criteria are derived to assess the influence of interactions between the considered systems. These criteria can be used during the preprocessing phase and help the engineer to build up efficient models with respect to the interactions with neighboring systems. The method was developed by using several models with different complexity levels. Furthermore, the method is proved for the application in the industrial environment by using the example of a current combustion engine.
NUMERICAL SIMULATION OF THERMO-HYGRAL ALKALI-SILICA REACTION MODEL IN CONCRETE AT THE MESOSCALE
(2010)
This research aims to model Alkali-Silica Reaction gel expansion in concrete under the influence of hygral and thermal loading, based on experimental results. ASR provokes a heterogeneous expansion in concrete leading to dimensional changes and eventually the premature failure of the concrete structure. This can result in map cracking on the concrete surface which will decrease the concrete stiffness. Factors that influence ASR are parameters such as the cement alkalinity, the number of deleterious silica from the aggregate used, concrete porosity, and external factors like temperature, humidity and external source of alkali from ingression of deicing salts. Uncertainties of the influential factors make ASR a difficult phenomenon to solve; hence my approach to this matter is to solve the problem using stochastic modelling, where a numerical simulation of concrete cross-section with integration of experimental results from Finger-Institute for Building Materials Science at the Bauhaus-Universität Weimar. The problem is formulated as a multi-field problem, combining heat transfer, fluid transfer and the reaction rate model with the mechanical stress field. Simulation is performed as a mesoscale model considering aggregates and mortar matrix. The reaction rate model will be conducted using experimental results from concrete expansions due to ASR gained from concrete prism tests. Expansive strains values for transient environmental conditions due to the reaction rate will be determined from calculation based on the reaction rate model. Results from these models will be able to predict the rate of ASR expansion and the cracking propagation that may arise.
The present article proposes an alternative way to compute the torsional stiffness based on three-dimensional continuum mechanics instead of applying a specific theory of torsion. A thin, representative beam slice is discretized by solid finite elements. Adequate boundary conditions and coupling conditions are integrated into the numerical model to obtain a proper answer on the torsion behaviour, thus on shear center, shear stress and torsional stiffness. This finite element approach only includes general assumptions of beam torsion which are independent of cross-section geometry. These assumptions essentially are: no in-plane deformation, constant torsion and free warping. Thus it is possible to achieve numerical solutions of high accuracy for arbitrary cross-sections. Due to the direct link to three-dimensional continuum mechanics, it is possible to extend the range of torsion analysis to sections which are composed of different materials or even to heterogeneous beams on a high scale of resolution. A brief study follows to validate the implementation and results are compared to analytical solutions.
In nonlinear simulations the loading is, in general, applied in an incremental way. Path-following algorithms are used to trace the equilibrium path during the failure process. Standard displacement controlled solution strategies fail if snap-back phenomena occur. In this contribution, a path-following algorithm based on the dissipation of the inelastic energy is presented which allows for the simulation of snap-backs. Since the constraint is defined in terms of the internal energy, the algorithm is not restricted to continuum damage models. Furthermore, no a priori knowledge about the final damage distribution is required. The performance of the proposed algorithm is illustrated using nonlinear mesoscale simulations.
In the context of finite element model updating using vibration test data, natural frequencies and mode shapes are used as validation criteria. Consequently, the order of natural frequencies and mode shapes is important. As only limited spatial information is available and noise is present in the measurements, the automatic selection of the most likely numerical mode shape corresponding to a measured mode shape is a difficult task. The most common criterion to indicate corresponding mode shapes is the modal assurance criterion. Unfortunately, this criterion fails in certain cases. In this paper, the pure mathematical modal assurance criterion will be enhanced by additional physical information of the numerical model in terms of modal strain energies. A numerical example and a benchmark study with real measured data are presented to show the advantages of the enhanced energy based criterion in comparison to the traditional modal assurance criterion.
From the design experiences of arch dams in the past, it has significant practical value to carry out the shape optimization of arch dams, which can fully make use of material characteristics and reduce the cost of constructions. Suitable variables need to be chosen to formulate the objective function, e.g. to minimize the total volume of the arch dam. Additionally a series of constraints are derived and a reasonable and convenient penalty function has been formed, which can easily enforce the characteristics of constraints and optimal design. For the optimization method, a Genetic Algorithm is adopted to perform a global search. Simultaneously, ANSYS is used to do the mechanical analysis under the coupling of thermal and hydraulic loads. One of the constraints of the newly designed dam is to fulfill requirements on the structural safety. Therefore, a reliability analysis is applied to offer a good decision supporting for matters concerning predictions of both safety and service life of the arch dam. By this, the key factors which would influence the stability and safety of arch dam significantly can be acquired, and supply a good way to take preventive measures to prolong ate the service life of an arch dam and enhances the safety of structure.
This study contributes to the identification of coupled THM constitutive model parameters via back analysis against information-rich experiments. A sampling based back analysis approach is proposed comprising both the model parameter identification and the assessment of the reliability of identified model parameters. The results obtained in the context of buffer elements indicate that sensitive parameter estimates generally obey the normal distribution. According to the sensitivity of the parameters and the probability distribution of the samples we can provide confidence intervals for the estimated parameters and thus allow a qualitative estimation on the identified parameters which are in future work used as inputs for prognosis computations of buffer elements. These elements play e.g. an important role in the design of nuclear waste repositories.
A topology optimization method has been developed for structures subjected to multiple load cases (Example of a bridge pier subjected to wind loads, traffic, superstructure...). We formulate the problem as a multi-criterial optimization problem, where the compliance is computed for each load case. Then, the Epsilon constraint method (method proposed by Chankong and Haimes, 1971) is adapted. The strategy of this method is based on the concept of minimizing the maximum compliance resulting from the critical load case while the other remaining compliances are considered in the constraints. In each iteration, the compliances of all load cases are computed and only the maximum one is minimized. The topology optimization process is switching from one load to another according to the variation of the resulting compliance. In this work we will motivate and explain the proposed methodology and provide some numerical examples.
In this paper, wavelet energy damage indicator is used in response surface methodology to identify the damage in simulated filler beam railway bridge. The approximate model is addressed to include the operational and surrounding condition in the assessment. The procedure is split into two stages, the training and detecting phase. During training phase, a so-called response surface is built from training data using polynomial regression and radial basis function approximation approaches. The response surface is used to detect the damage in structure during detection phase. The results show that the response surface model is able to detect moderate damage in one of bridge supports while the temperatures and train velocities are varied.