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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.

Numerical models and their combination with advanced solution strategies are standard tools for many engineering disciplines to design or redesign structures and to optimize designs with the purpose to improve specific requirements. As the successful application of numerical models depends on their suitability to represent the behavior related to the intended use, they should be validated by experimentally obtained results. If the discrepancy between numerically derived and experimentally obtained results is not acceptable, a model revision or a revision of the experiment need to be considered. Model revision is divided into two classes, the model updating and the basic revision of the numerical model. The presented thesis is related to a special branch of model updating, the vibration-based model updating. Vibration-based model updating is a tool to improve the correlation of the numerical model by adjusting uncertain model input parameters by means of results extracted from vibration tests. Evidently, uncertainties related to the experiment, the numerical model, or the applied numerical solving strategies can influence the correctness of the identified model input parameters. The reduction of uncertainties for two critical problems and the quantification of uncertainties related to the investigation of several nominally identical structures are the main emphases of this thesis. First, the reduction of uncertainties by optimizing reference sensor positions is considered. The presented approach relies on predicted power spectral amplitudes and an initial finite element model as a basis to define the assessment criterion for predefined sensor positions. In combination with geometry-based design variables, which represent the sensor positions, genetic and particle swarm optimization algorithms are applied. The applicability of the proposed approach is demonstrated on a numerical benchmark study of a simply supported beam and a case study of a real test specimen. Furthermore, the theory of determining the predicted power spectral amplitudes is validated with results from vibration tests. Second, the possibility to reduce uncertainties related to an inappropriate assignment for numerically derived and experimentally obtained modes is investigated. In the context of vibration-based model updating, the correct pairing is essential. The most common criterion for indicating corresponding mode shapes is the modal assurance criterion. Unfortunately, this criterion fails in certain cases and is not reliable for automatic approaches. Hence, an alternative criterion, the energy-based modal assurance criterion, is proposed. This criterion combines the mathematical characteristic of orthogonality with the physical properties of the structure by modal strain energies. A numerical example and a case study with experimental data are presented to show the advantages of the proposed energy-based modal assurance criterion in comparison to the traditional modal assurance criterion. Third, the application of optimization strategies combined with information theory based objective functions is analyzed for the purpose of stochastic model updating. This approach serves as an alternative to the common sensitivity-based stochastic model updating strategies. Their success depends strongly on the defined initial model input parameters. In contrast, approaches based on optimization strategies can be more flexible. It can be demonstrated, that the investigated nature inspired optimization strategies in combination with Bhattacharyya distance and Kullback-Leibler divergence are appropriate. The obtained accuracies and the respective computational effort are comparable with sensitivity-based stochastic model updating strategies. The application of model updating procedures to improve the quality and suitability of a numerical model is always related to additional costs. The presented innovative approaches will contribute to reduce and quantify uncertainties within a vibration-based model updating process. Therefore, the increased benefit can compensate the additional effort, which is necessary to apply model updating procedures.

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.

Untersuchung des dynamischen Verhaltens von Eisenbahnbrücken bei wechselnden Umweltbedingungen
(2008)

Im Zuge des Ausbaus von Eisenbahnstrecken für den Hochgeschwindigkeitsverkehr muss sichergestellt werden, dass keine Resonanz zwischen den periodisch einwirkenden Radlasten und den Brückeneigenfrequenzen entsteht. Bei der Untersuchung einzelner Bauwerke wurden teilweise recht große Schwankungen des dynamischen Verhaltens im Verlauf der Jahreszeiten festgestellt. Um diese Beobachtungen zu präzisieren, wurden an zwei ausgewählten Walzträger-in-Beton-Brücken über den Zeitraum von 15 Monaten Beschleunigungsmessungen durchgeführt. Die gewonnenen Daten wurden mit der Stochastic Subspace Methode, die im ersten Teil der Arbeit näher erläutert wird, ausgewertet. Es konnte für alle Eigenmoden ein Absinken der Eigenfrequenz bei steigender Temperatur beobachtet werden. Um die Ursachen hierfür genauer zu untersuchen, wurde für eine der beiden Brücken ein Finite-Elemente-Modell mit dem Programm SLang erstellt. Mittels einer Sensitivitätsanalyse wurden die für das Schwingverhalten maßgebenden Systemeigenschaften identifiziert. Die anschließend durchgeführte Strukturoptimierung unter Nutzung des genetischen Algorithmus sowie des adaptiven Antwortflächenverfahrens konnte die Temperaturabhängigkeit einzelner Materialparameter aufzeigen, die zumindest eine Ursache für Schwankungen der Eigenfrequenzen darstellen.

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.

The underlying goal of this work is to reduce the uncertainty related to thermally induced stress prediction. This is accomplished by considering use of non-linear material behavior, notably path dependent thermal hysteresis behavior in the elastic properties.
Primary novel factors of this work center on two aspects.
1. Broad material characterization and mechanistic material understanding, giving insight into why this class of material behaves in characteristic manners.
2. Development and implementation of a thermal hysteresis material model and its use to determine impact on overall macroscopic stress predictions.
Results highlight microcracking evolution and behavior as the dominant mechanism for material property complexity in this class of materials. Additionally, it was found that for the cases studied, thermal hysteresis behavior impacts relevant peak stress predictions of a heavy-duty diesel particulate filter undergoing a drop-to-idle regeneration by less than ~15% for all conditions tested. It is also found that path independent heating curves may be utilized for a linear solution assumption to simplify analysis.
This work brings forth a newly conceived concept of a 3 state, 4 path, thermally induced microcrack evolution process; demonstrates experimental behavior that is consistent with the proposed mechanisms, develops a mathematical framework that describes the process and quantifies the impact in a real world application space.

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.

Along with environmental pollution, urban planning has been connected to public health. The research indicates that the quality of built environments plays an important role in reducing mental disorders and overall health. The structure and shape of the city are considered as one of the factors influencing happiness and health in urban communities and the type of the daily activities of citizens. The aim of this study was to promote physical activity in the main structure of the city via urban design in a way that the main form and morphology of the city can encourage citizens to move around and have physical activity within the city. Functional, physical, cultural-social, and perceptual-visual features are regarded as the most important and effective criteria in increasing physical activities in urban spaces, based on literature review. The environmental quality of urban spaces and their role in the physical activities of citizens in urban spaces were assessed by using the questionnaire tool and analytical network process (ANP) of structural equation modeling. Further, the space syntax method was utilized to evaluate the role of the spatial integration of urban spaces on improving physical activities. Based on the results, consideration of functional diversity, spatial flexibility and integration, security, and the aesthetic and visual quality of urban spaces plays an important role in improving the physical health of citizens in urban spaces. Further, more physical activities, including motivation for walking and the sense of public health and happiness, were observed in the streets having higher linkage and space syntax indexes with their surrounding texture.

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.

Structural vibration control of high-speed railway bridges using tuned mass dampers, semi-active tuned mass dampers, fluid viscous dampers and magnetorheological dampers to reduce resonant structural vibrations is studied. In this work, the addressed main issues include modeling of the dynamic interaction of the structures, optimization of the parameters of the dampers and comparison of their efficiency.
A new approach to optimize multiple tuned mass damper systems on an uncertain model is proposed based on the H-infinity optimization criteria and the DK iteration procedure with norm-bounded uncertainties in frequency domain. The parameters of tuned mass dampers are optimized directly and simultaneously on different modes contributing significantly to the multi-resonant peaks to explore the different possible combinations of parameters. The effectiveness of the present method is also evaluated through comparison with a previous method.
In the case of semi-active tuned mass dampers, an optimization algorithm is derived to control the magnetorheological damper in these semi-active damping systems. The use of the proposed algorithm can generate various combinations of control gains and state variables. This can lead to the improvement of the ability of MR dampers to track the desired control forces. An uncertain model to reduce detuning effects is also considered in this work.
Next, for fluid viscous dampers, in order to tune the optimal parameters of fluid viscous dampers to the vicinity of the exact values, analytical formulae which can include structural damping are developed based on the perturbation method. The proposed formulae can also be considered as an improvement of the previous analytical formulae, especially for bridge beams with large structural damping.
Finally, a new combination of magnetorheological dampers and a double-beam system to improve the performance of the primary structure vibration is proposed. An algorithm to control magnetorheological dampers in this system is developed by using standard linear matrix inequality techniques. Weight functions as a loop shaping procedure are also introduced in the feedback controllers to improve the tracking ability of magnetorheological damping forces. To this end, the effectiveness of magnetorheological dampers controlled by the proposed scheme, along with the effects of the uncertain and time-delay parameters on the models, are evaluated through numerical simulations.
Additionally, a comparison of the dampers based on their performance is also considered in this work.

Nanostructured materials are extensively applied in many fields of material science for new industrial applications, particularly in the automotive, aerospace industry due to their exceptional physical and mechanical properties. Experimental testing of nanomaterials is expensive, timeconsuming,challenging and sometimes unfeasible. Therefore,computational simulations have been employed as alternative method to predict macroscopic material properties. The behavior of polymeric nanocomposites (PNCs) are highly complex.
The origins of macroscopic material properties reside in the properties and interactions taking place on finer scales. It is therefore essential to use multiscale modeling strategy to properly account for all large length and time scales associated with these material systems, which across many orders of magnitude. Numerous multiscale models of PNCs have been established, however, most of them connect only two scales. There are a few multiscale models for PNCs bridging four length scales (nano-, micro-, meso- and macro-scales). In addition, nanomaterials are stochastic in nature and the prediction of macroscopic mechanical properties are influenced by many factors such as fine-scale features. The predicted mechanical properties obtained by traditional approaches significantly deviate from the measured values in experiments due to neglecting uncertainty of material features. This discrepancy is indicated that the effective macroscopic properties of materials are highly sensitive to various sources of uncertainty, such as loading and boundary conditions and material characteristics, etc., while very few stochastic multiscale models for PNCs have been developed. Therefore, it is essential to construct PNC models within the framework of stochastic modeling and quantify the stochastic effect of the input parameters on the macroscopic mechanical properties of those materials.
This study aims to develop computational models at four length scales (nano-, micro-, meso- and macro-scales) and hierarchical upscaling approaches bridging length scales from nano- to macro-scales. A framework for uncertainty quantification (UQ) applied to predict the mechanical properties
of the PNCs in dependence of material features at different scales is studied. Sensitivity and uncertainty analysis are of great helps in quantifying the effect of input parameters, considering both main and interaction effects, on the mechanical properties of the PNCs. To achieve this major
goal, the following tasks are carried out:
At nano-scale, molecular dynamics (MD) were used to investigate deformation mechanism of glassy amorphous polyethylene (PE) in dependence of temperature and strain rate. Steered molecular dynamics (SMD)were also employed to investigate interfacial characteristic of the PNCs.
At mico-scale, we developed an atomistic-based continuum model represented by a representative volume element (RVE) in which the SWNT’s properties and the SWNT/polymer interphase are modeled at nano-scale, the surrounding polymer matrix is modeled by solid elements. Then, a two-parameter model was employed at meso-scale. A hierarchical multiscale approach has been developed to obtain the structure-property relations at one length scale and transfer the effect to the higher length
scales. In particular, we homogenized the RVE into an equivalent fiber.
The equivalent fiber was then employed in a micromechanical analysis (i.e. Mori-Tanaka model) to predict the effective macroscopic properties of the PNC. Furthermore, an averaging homogenization process was also used to obtain the effective stiffness of the PCN at meso-scale.
Stochastic modeling and uncertainty quantification consist of the following ingredients:
- Simple random sampling, Latin hypercube sampling, Sobol’ quasirandom sequences, Iman and Conover’s method (inducing correlation in Latin hypercube sampling) are employed to generate independent and dependent sample data, respectively.
- Surrogate models, such as polynomial regression, moving least squares (MLS), hybrid method combining polynomial regression and MLS, Kriging regression, and penalized spline regression, are employed as an approximation of a mechanical model. The advantage of the surrogate models is the high computational efficiency and robust as they can be constructed from a limited amount of available data.
- Global sensitivity analysis (SA) methods, such as variance-based methods for models with independent and dependent input parameters, Fourier-based techniques for performing variance-based methods and partial derivatives, elementary effects in the context of local SA, are used to quantify the effects of input parameters and their interactions on the mechanical properties of the PNCs. A bootstrap technique is used to assess the robustness of the global SA methods with respect to their performance.
In addition, the probability distribution of mechanical properties are determined by using the probability plot method. The upper and lower bounds of the predicted Young’s modulus according to 95 % prediction intervals were provided.
The above-mentioned methods study on the behaviour of intact materials. Novel numerical methods such as a node-based smoothed extended finite element method (NS-XFEM) and an edge-based smoothed phantom node method (ES-Phantom node) were developed for fracture problems. These methods can be used to account for crack at macro-scale for future works. The predicted mechanical properties were validated and verified. They show good agreement with previous experimental and simulations results.

Briefly, the two basic questions that this research is supposed to answer are:
1. Howmuch fiber is needed and how fibers should be distributed through a fiber reinforced composite (FRC) structure in order to obtain the optimal and reliable structural response?
2. How do uncertainties influence the optimization results and reliability of the structure?
Giving answer to the above questions a double stage sequential optimization algorithm for finding the optimal content of short fiber reinforcements and their distribution in the composite structure, considering uncertain design parameters, is presented. In the first stage, the optimal amount of short fibers in a FRC structure with uniformly distributed fibers is conducted in the framework of a Reliability Based Design Optimization (RBDO) problem. Presented model considers material, structural and modeling uncertainties. In the second stage, the fiber distribution optimization (with the aim to further increase in structural reliability) is performed by defining a fiber distribution function through a Non-Uniform Rational BSpline (NURBS) surface. The advantages of using the NURBS surface as a fiber distribution function include: using the same data set for the optimization and analysis; high convergence rate due to the smoothness of the NURBS; mesh independency of the optimal layout; no need for any post processing technique and its non-heuristic nature. The output of stage 1 (the optimal fiber content for homogeneously distributed fibers) is considered as the input of stage 2. The output of stage 2 is the Reliability Index (b ) of the structure with the optimal fiber content and distribution.
First order reliability method (in order to approximate the limit state function) as well as different material models including Rule of Mixtures, Mori-Tanaka, energy-based approach and stochastic multi-scales are implemented in different examples. The proposed combined model is able to capture the role of available uncertainties in FRC structures through a computationally efficient algorithm using all sequential, NURBS and sensitivity based techniques. The methodology is successfully implemented for interfacial shear stress optimization in sandwich beams and also for optimization of the internal cooling channels in a ceramic matrix composite.
Finally, after some changes and modifications by combining Isogeometric Analysis, level set and point wise density mapping techniques, the computational framework is extended for topology optimization of piezoelectric / flexoelectric materials.

The polymeric clay nanocomposites are a new class of materials of which recently have become the centre of attention due to their superior mechanical and physical properties. Several studies have been performed on the mechanical characterisation of these nanocomposites; however most of those studies have neglected the effect of the interfacial region between the clays and the matrix despite of its significant influence on the mechanical performance of the nanocomposites.
There are different analytical methods to calculate the overall elastic material properties of the composites. In this study we use the Mori-Tanaka method to determine the overall stiffness of the composites for simple inclusion geometries of cylinder and sphere. Furthermore, the effect of interphase layer on the overall properties of composites is calculated. Here, we intend to get ounds for the effective mechanical properties to compare with the analytical results. Hence, we use linear displacement boundary conditions (LD) and uniform traction boundary conditions (UT) accordingly. Finally, the analytical results are compared with numerical results and they are in a good agreement.
The next focus of this dissertation is a computational approach with a hierarchical multiscale method on the mesoscopic level. In other words, in this study we use the stochastic analysis and computational homogenization method to analyse the effect of thickness and stiffness of the interfacial region on the overall elastic properties of the clay/epoxy nanocomposites. The results show that the increase in interphase thickness, reduces the stiffness of the clay/epoxy naocomposites and this decrease becomes significant in higher clay contents. The results of the sensitivity analysis prove that the stiffness of the interphase layer has more significant effect on the final stiffness of nanocomposites. We also validate the results with the available experimental results from the literature which show good agreement.

Temporary changes in precipitation may lead to sustained and severe drought or massive floods in different parts of the world. Knowing the variation in precipitation can effectively help the water resources decision-makers in water resources management. Large-scale circulation drivers have a considerable impact on precipitation in different parts of the world. In this research, the impact of El Niño-Southern Oscillation (ENSO), Pacific Decadal Oscillation (PDO), and North Atlantic Oscillation (NAO) on seasonal precipitation over Iran was investigated. For this purpose, 103 synoptic stations with at least 30 years of data were utilized. The Spearman correlation coefficient between the indices in the previous 12 months with seasonal precipitation was calculated, and the meaningful correlations were extracted. Then, the month in which each of these indices has the highest correlation with seasonal precipitation was determined. Finally, the overall amount of increase or decrease in seasonal precipitation due to each of these indices was calculated. Results indicate the Southern Oscillation Index (SOI), NAO, and PDO have the most impact on seasonal precipitation, respectively. Additionally, these indices have the highest impact on the precipitation in winter, autumn, spring, and summer, respectively. SOI has a diverse impact on winter precipitation compared to the PDO and NAO, while in the other seasons, each index has its special impact on seasonal precipitation. Generally, all indices in different phases may decrease the seasonal precipitation up to 100%. However, the seasonal precipitation may increase more than 100% in different seasons due to the impact of these indices. The results of this study can be used effectively in water resources management and especially in dam operation.

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.

The purpose of this study is to develop self-contained methods for obtaining smooth meshes which are compatible with isogeometric analysis (IGA). The study contains three main parts. We start by developing a better understanding of shapes and splines through the study of an image-related problem. Then we proceed towards obtaining smooth volumetric meshes of the given voxel-based images. Finally, we treat the smoothness issue on the multi-patch domains with C1 coupling. Following are the highlights of each part.
First, we present a B-spline convolution method for boundary representation of voxel-based images. We adopt the filtering technique to compute the B-spline coefficients and gradients of the images effectively. We then implement the B-spline convolution for developing a non-rigid images registration method. The proposed method is in some sense of “isoparametric”, for which all the computation is done within the B-splines framework. Particularly, updating the images by using B-spline composition promote smooth transformation map between the images. We show the possible medical applications of our method by applying it for registration of brain images.
Secondly, we develop a self-contained volumetric parametrization method based on the B-splines boundary representation. We aim to convert a given voxel-based data to a matching C1 representation with hierarchical cubic splines. The concept of the osculating circle is employed to enhance the geometric approximation, where it is done by a single template and linear transformations (scaling, translations, and rotations) without the need for solving an optimization problem. Moreover, we use the Laplacian smoothing and refinement techniques to avoid irregular meshes and to improve mesh quality. We show with several examples that the method is capable of handling complex 2D and 3D configurations. In particular, we parametrize the 3D Stanford bunny which contains irregular shapes and voids.
Finally, we propose the B´ezier ordinates approach and splines approach for C1 coupling. In the first approach, the new basis functions are defined in terms of the B´ezier Bernstein polynomials. For the second approach, the new basis is defined as a linear combination of C0 basis functions. The methods are not limited to planar or bilinear mappings. They allow the modeling of solutions to fourth order partial differential equations (PDEs) on complex geometric domains, provided that the given patches are G1
continuous. Both methods have their advantages. In particular, the B´ezier approach offer more degree of freedoms, while the spline approach is more computationally efficient. In addition, we proposed partial degree elevation to overcome the C1-locking issue caused by the over constraining of the solution space. We demonstrate the potential of the resulting C1 basis functions for application in IGA which involve fourth order PDEs such as those appearing in Kirchhoff-Love shell models, Cahn-Hilliard phase field application, and biharmonic problems.

Hydrological drought forecasting plays a substantial role in water resources management. Hydrological drought highly affects the water allocation and hydropower generation. In this research, short term hydrological drought forecasted based on the hybridized of novel nature-inspired optimization algorithms and Artificial Neural Networks (ANN). For this purpose, the Standardized Hydrological Drought Index (SHDI) and the Standardized Precipitation Index (SPI) were calculated in one, three, and six aggregated months. Then, three states where proposed for SHDI forecasting, and 36 input-output combinations were extracted based on the cross-correlation analysis. In the next step, newly proposed optimization algorithms, including Grasshopper Optimization Algorithm (GOA), Salp Swarm algorithm (SSA), Biogeography-based optimization (BBO), and Particle Swarm Optimization (PSO) hybridized with the ANN were utilized for SHDI forecasting and the results compared to the conventional ANN. Results indicated that the hybridized model outperformed compared to the conventional ANN. PSO performed better than the other optimization algorithms. The best models forecasted SHDI1 with R2 = 0.68 and RMSE = 0.58, SHDI3 with R 2 = 0.81 and RMSE = 0.45 and SHDI6 with R 2 = 0.82 and RMSE = 0.40.

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.

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.

Estimating the solubility of carbon dioxide in ionic liquids, using reliable models, is of paramount importance from both environmental and economic points of view. In this regard, the current research aims at evaluating the performance of two data-driven techniques, namely multilayer perceptron (MLP) and gene expression programming (GEP), for predicting the solubility of carbon dioxide (CO2) in ionic liquids (ILs) as the function of pressure, temperature, and four thermodynamical parameters of the ionic liquid. To develop the above techniques, 744 experimental data points derived from the literature including 13 ILs were used (80% of the points for training and 20% for validation). Two backpropagation-based methods, namely Levenberg–Marquardt (LM) and Bayesian Regularization (BR), were applied to optimize the MLP algorithm. Various statistical and graphical assessments were applied to check the credibility of the developed techniques. The results were then compared with those calculated using Peng–Robinson (PR) or Soave–Redlich–Kwong (SRK) equations of state (EoS). The highest coefficient of determination (R2 = 0.9965) and the lowest root mean square error (RMSE = 0.0116) were recorded for the MLP-LMA model on the full dataset (with a negligible difference to the MLP-BR model). The comparison of results from this model with the vastly applied thermodynamic equation of state models revealed slightly better performance, but the EoS approaches also performed well with R2 from 0.984 up to 0.996. Lastly, the newly established correlation based on the GEP model exhibited very satisfactory results with overall values of R2 = 0.9896 and RMSE = 0.0201.

Environmental and operational variables and their impact on structural responses have been acknowledged as one of the most important challenges for the application of the ambient vibration-based damage identification in structures. The damage detection procedures may yield poor results, if the impacts of loading and environmental conditions of the structures are not considered.
The reference-surface-based method, which is proposed in this thesis, is addressed to overcome this problem. In the proposed method, meta-models are used to take into account significant effects of the environmental and operational variables. The usage of the approximation models, allows the proposed method to simply handle multiple non-damaged variable effects simultaneously, which for other methods seems to be very complex. The input of the meta-model are the multiple non-damaged variables while the output is a damage indicator.
The reference-surface-based method diminishes the effect of the non-damaged variables to the vibration based damage detection results. Hence, the structure condition that is assessed by using ambient vibration data at any time would be more reliable. Immediate reliable information regarding the structure condition is required to quickly respond to the event, by means to take necessary actions concerning the future use or further investigation of the structures, for instance shortly after extreme events such as earthquakes.
The critical part of the proposed damage detection method is the learning phase, where the meta-models are trained by using input-output relation of observation data. Significant problems that may encounter during the learning phase are outlined and some remedies to overcome the problems are suggested.
The proposed damage identification method is applied to numerical and experimental models. In addition to the natural frequencies, wavelet energy and stochastic subspace damage indicators are used.

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.

Pressure fluctuations beneath hydraulic jumps potentially endanger the stability of stilling basins. This paper deals with the mathematical modeling of the results of laboratory-scale experiments to estimate the extreme pressures. Experiments were carried out on a smooth stilling basin underneath free hydraulic jumps downstream of an Ogee spillway. From the probability distribution of measured instantaneous pressures, pressures with different probabilities could be determined. It was verified that maximum pressure fluctuations, and the negative pressures, are located at the positions near the spillway toe. Also, minimum pressure fluctuations are located at the downstream of hydraulic jumps. It was possible to assess the cumulative curves of pressure data related to the characteristic points along the basin, and different Froude numbers. To benchmark the results, the dimensionless forms of statistical parameters include mean pressures (P*m), the standard deviations of pressure fluctuations (σ*X), pressures with different non-exceedance probabilities (P*k%), and the statistical coefficient of the probability distribution (Nk%) were assessed. It was found that an existing method can be used to interpret the present data, and pressure distribution in similar conditions, by using a new second-order fractional relationships for σ*X, and Nk%. The values of the Nk% coefficient indicated a single mean value for each probability.

In this paper, an artificial neural network is implemented for the sake of predicting the thermal conductivity ratio of TiO2-Al2O3/water nanofluid. TiO2-Al2O3/water in the role of an innovative type of nanofluid was synthesized by the sol–gel method. The results indicated that 1.5 vol.% of nanofluids enhanced the thermal conductivity by up to 25%. It was shown that the heat transfer coefficient was linearly augmented with increasing nanoparticle concentration, but its variation with temperature was nonlinear. It should be noted that the increase in concentration may cause the particles to agglomerate, and then the thermal conductivity is reduced. The increase in temperature also increases the thermal conductivity, due to an increase in the Brownian motion and collision of particles. In this research, for the sake of predicting the thermal conductivity of TiO2-Al2O3/water nanofluid based on volumetric concentration and temperature functions, an artificial neural network is implemented. In this way, for predicting thermal conductivity, SOM (self-organizing map) and BP-LM (Back Propagation-Levenberq-Marquardt) algorithms were used. Based on the results obtained, these algorithms can be considered as an exceptional tool for predicting thermal conductivity. Additionally, the correlation coefficient values were equal to 0.938 and 0.98 when implementing the SOM and BP-LM algorithms, respectively, which is highly acceptable. View Full-Text

A novel combination of the ant colony optimization algorithm (ACO)and computational fluid dynamics (CFD) data is proposed for modeling the multiphase chemical reactors. The proposed intelligent model presents a probabilistic computational strategy for predicting various levels of three-dimensional bubble column reactor (BCR) flow. The results prove an enhanced communication between ant colony prediction and CFD data in different sections of the BCR.

The assessment of wind-induced vibrations is considered vital for the design of long-span bridges. The aim of this research is to develop a methodological framework for robust and efficient prediction strategies for complex aerodynamic phenomena using hybrid models that employ numerical analyses as well as meta-models. Here, an approach to predict motion-induced aerodynamic forces is developed using artificial neural network (ANN). The ANN is implemented in the classical formulation and trained with a comprehensive dataset which is obtained from computational fluid dynamics forced vibration simulations. The input to the ANN is the response time histories of a bridge section, whereas the output is the motion-induced forces. The developed ANN has been tested for training and test data of different cross section geometries which provide promising predictions. The prediction is also performed for an ambient response input with multiple frequencies. Moreover, the trained ANN for aerodynamic forcing is coupled with the structural model to perform fully-coupled fluid--structure interaction analysis to determine the aeroelastic instability limit. The sensitivity of the ANN parameters to the model prediction quality and the efficiency has also been highlighted. The proposed methodology has wide application in the analysis and design of long-span bridges.

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.

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.

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.

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.

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.

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.

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.

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.

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.

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.

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 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.

From a macroscopic point of view, failure within concrete structures is characterized by the initiation and propagation of cracks. In the first part of the thesis, a methodology for macroscopic crack growth simulations for concrete structures using a cohesive discrete crack approach based on the extended finite element method is introduced. Particular attention is turned to the investigation of criteria for crack initiation and crack growth. A drawback of the macroscopic simulation is that the real physical phenomena leading to the nonlinear behavior are only modeled phenomenologically. For concrete, the nonlinear behavior is characterized by the initiation of microcracks which coalesce into macroscopic cracks. In order to obtain a higher resolution of this failure zones, a mesoscale model for concrete is developed that models particles, mortar matrix and the interfacial transition zone (ITZ) explicitly. The essential features are a representation of particles using a prescribed grading curve, a material formulation based on a cohesive approach for the ITZ and a combined model with damage and plasticity for the mortar matrix. Compared to numerical simulations, the response of real structures exhibits a stochastic scatter. This is e.g. due to the intrinsic heterogeneities of the structure. For mesoscale models, these intrinsic heterogeneities are simulated by using a random distribution of particles and by a simulation of spatially variable material parameters using random fields. There are two major problems related to numerical simulations on the mesoscale. First of all, the material parameters for the constitutive description of the materials are often difficult to measure directly. In order to estimate material parameters from macroscopic experiments, a parameter identification procedure based on Bayesian neural networks is developed which is universally applicable to any parameter identification problem in numerical simulations based on experimental results. This approach offers information about the most probable set of material parameters based on experimental data and information about the accuracy of the estimate. Consequently, this approach can be used a priori to determine a set of experiments to be carried out in order to fit the parameters of a numerical model to experimental data. The second problem is the computational effort required for mesoscale simulations of a full macroscopic structure. For this purpose, a coupling between mesoscale and macroscale model is developed. Representative mesoscale simulations are used to train a metamodel that is finally used as a constitutive model in a macroscopic simulation. Special focus is placed on the ability of appropriately simulating unloading.

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 thesis concerns the physical and mechanical interactions on carbon nanotubes and polymers by multiscale modeling. CNTs have attracted considerable interests in view of their unique mechanical, electronic, thermal, optical and structural properties, which enable them to have many potential applications.
Carbon nanotube exists in several structure forms, from individual single-walled carbon nanotubes (SWCNTs) and multi-walled carbon nanotubes (MWCNTs) to carbon nanotube bundles and networks. The mechanical properties of SWCNTs and MWCNTs have been extensively studied by continuum modeling and molecular dynamics (MD) simulations in the past decade since the properties could be important in the CNT-based devices. CNT bundles and networks feature outstanding mechanical performance and hierarchical structures and network topologies, which have been taken as a potential saving-energy material. In the synthesis of nanocomposites, the formation of the CNT bundles and networks is a challenge to remain in understanding how to measure and predict the properties of such large systems. Therefore, a mesoscale method such as a coarse-grained (CG) method should be developed to study the nanomechanical characterization of CNT bundles and networks formation.
In this thesis, the main contributions can be written as follows: (1) Explicit solutions for the cohesive energy between carbon nanotubes, graphene and substrates are obtained through continuum modeling of the van der Waals interaction between them. (2) The CG potentials of SWCNTs are established by a molecular mechanics model. (3) The binding energy between two parallel and crossing SWCNTs and MWCNTs is obtained by continuum modeling of the van der Waals interaction between them. Crystalline and amorphous polymers are increasingly used in modern industry as tructural materials due to its important mechanical and physical properties. For crystalline polyethylene (PE), despite its importance and the studies of available MD simulations and continuum models, the link between molecular and continuum descriptions of its mechanical properties is still not well established. For amorphous polymers, the chain length and temperature effect on their
elastic and elastic-plastic properties has been reported based on the united-atom (UA) and CG MD imulations in our previous work. However, the effect of the CL and temperature on the failure behavior is not understood well yet. Especially, the failure behavior under shear has been scarcely reported in previous work. Therefore, understanding the molecular origins of macroscopic fracture behavior such as fracture energy is a fundamental scientific challenge.
In this thesis, the main contributions can be written as follows: (1) An analytical molecular mechanics model is developed to obtain the size-dependent elastic properties of crystalline PE.
(2) We show that the two molecular mechanics models, the stick-spiral and the beam models, predict considerably different mechanical properties of materials based on energy equivalence. The difference between the two models is independent of the materials. (3) The tensile and shear failure behavior dependence on chain length and temperature in amorphous polymers are scrutinized using molecular dynamics simulations. Finally, the influence of polymer wrapped two neighbouring SWNTs’ dispersion on their load transfer is investigated by molecular dynamics (MD) simulations, in which the SWNTs' position, the polymer chain length and the temperature on the interaction force is systematically studied.

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.

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.

Material properties play a critical role in durable products manufacturing. Estimation of the precise characteristics in different scales requires complex and expensive experimental measurements. Potentially, computational methods can provide a platform to determine the fundamental properties before the final experiment. Multi-scale computational modeling leads to the modeling of the various time, and length scales include nano, micro, meso, and macro scales. These scales can be modeled separately or in correlation with coarser scales. Depend on the interested scales modeling, the right selection of multi-scale methods leads to reliable results and affordable computational cost. The present dissertation deals with the problems in various length and time scales using computational methods include density functional theory (DFT), molecular mechanics (MM), molecular dynamics (MD), and finite element (FE) methods.
Physical and chemical interactions in lower scales determine the coarser scale properties. Particles interaction modeling and exploring fundamental properties are significant challenges of computational science. Downscale modelings need more computational effort due to a large number of interacted atoms/particles. To deal with this problem and bring up a fine-scale (nano) as a coarse-scale (macro) problem, we extended an atomic-continuum framework. The discrete atomic models solve as a continuum problem using the computationally efficient FE method. MM or force field method based on a set of assumptions approximates a solution on the atomic scale. In this method, atoms and bonds model as a harmonic oscillator with a system of mass and springs. The negative gradient of the potential energy equal to the forces on each atom. In this way, each bond's total potential energy includes bonded, and non-bonded energies are simulated as equivalent structural strain energies. Finally, the chemical nature of the atomic bond is modeled as a piezoelectric beam element that solves by the FE method.
Exploring novel materials with unique properties is a demand for various industrial applications. During the last decade, many two-dimensional (2D) materials have been synthesized and shown outstanding properties. Investigation of the probable defects during the formation/fabrication process and studying their strength under severe service life are the critical tasks to explore performance prospects. We studied various defects include nano crack, notch, and point vacancy (Stone-Wales defect) defects employing MD analysis. Classical MD has been used to simulate a considerable amount of molecules at micro-, and meso- scales. Pristine and defective nanosheet structures considered under the uniaxial tensile loading at various temperatures using open-source LAMMPS codes. The results were visualized with the open-source software of OVITO and VMD.
Quantum based first principle calculations have been conducting at electronic scales and known as the most accurate Ab initio methods. However, they are computationally expensive to apply for large systems. We used density functional theory (DFT) to estimate the mechanical and electrochemical response of the 2D materials. Many-body Schrödinger's equation describes the motion and interactions of the solid-state particles. Solid describes as a system of positive nuclei and negative electrons, all electromagnetically interacting with each other, where the wave function theory describes the quantum state of the set of particles. However, dealing with the 3N coordinates of the electrons, nuclei, and N coordinates of the electrons spin components makes the governing equation unsolvable for just a few interacted atoms. Some assumptions and theories like Born Oppenheimer and Hartree-Fock mean-field and Hohenberg-Kohn theories are needed to treat with this equation. First, Born Oppenheimer approximation reduces it to the only electronic coordinates. Then Kohn and Sham, based on Hartree-Fock and Hohenberg-Kohn theories, assumed an equivalent fictitious non-interacting electrons system as an electron density functional such that their ground state energies are equal to a set of interacting electrons. Exchange-correlation energy functionals are responsible for satisfying the equivalency between both systems. The exact form of the exchange-correlation functional is not known. However, there are widely used methods to derive functionals like local density approximation (LDA), Generalized gradient approximation (GGA), and hybrid functionals (e.g., B3LYP). In our study, DFT performed using VASP codes within the GGA/PBE approximation, and visualization/post-processing of the results realized via open-source software of VESTA.
The extensive DFT calculations are conducted 2D nanomaterials prospects as anode/cathode electrode materials for batteries. Metal-ion batteries' performance strongly depends on the design of novel electrode material. Two-dimensional (2D) materials have developed a remarkable interest in using as an electrode in battery cells due to their excellent properties. Desirable battery energy storage systems (BESS) must satisfy the high energy density, safe operation, and efficient production costs. Batteries have been using in electronic devices and provide a solution to the environmental issues and store the discontinuous energies generated from renewable wind or solar power plants. Therefore, exploring optimal electrode materials can improve storage capacity and charging/discharging rates, leading to the design of advanced batteries.
Our results in multiple scales highlight not only the proposed and employed methods' efficiencies but also promising prospect of recently synthesized nanomaterials and their applications as an anode material. In this way, first, a novel approach developed for the modeling of the 1D nanotube as a continuum piezoelectric beam element. The results converged and matched closely with those from experiments and other more complex models. Then mechanical properties of nanosheets estimated and the failure mechanisms results provide a useful guide for further use in prospect applications. Our results indicated a comprehensive and useful vision concerning the mechanical properties of nanosheets with/without defects. Finally, mechanical and electrochemical properties of the several 2D nanomaterials are explored for the first time—their application performance as an anode material illustrates high potentials in manufacturing super-stretchable and ultrahigh-capacity battery energy storage systems (BESS). Our results exhibited better performance in comparison to the available commercial anode materials.

Rechargeable lithium ion batteries (LIBs) play a very significant role in power supply and storage. In recent decades, LIBs have caught tremendous attention in mobile communication, portable electronics, and electric vehicles. Furthermore, global warming has become a worldwide issue due to the ongoing production of greenhouse gases. It motivates solutions such as renewable sources of energy. Solar and wind energies are the most important ones in renewable energy sources. By technology progress, they will definitely require batteries to store the produced power to make a balance between power generation and consumption. Nowadays,rechargeable batteries such as LIBs are considered as one of the best solutions. They provide high specific energy and high rate performance while their rate of self-discharge is low.
Performance of LIBs can be improved through the modification of battery characteristics. The size of solid particles in electrodes can impact the specific energy and the cyclability of batteries. It can improve the amount of lithium content in the electrode which is a vital parameter in capacity and capability of a battery. There exist diferent sources of heat generation in LIBs such as heat produced during electrochemical reactions, internal resistance in battery. The size of electrode's electroactive particles can directly affect the produced heat in battery. It will be shown that the smaller size of solid particle enhance the thermal characteristics of LIBs.
Thermal issues such as overheating, temperature maldistribution in the battery, and thermal runaway have confined applications of LIBs. Such thermal challenges reduce the Life cycle of LIBs. As well, they may lead to dangerous conditions such as fire or even explosion in batteries. However, recent advances in fabrication of advanced materials such as graphene and carbon nanotubes with extraordinary thermal conductivity and electrical properties propose new opportunities to enhance their performance. Since experimental works are expensive, our objective is to use computational methods to investigate the thermal issues in LIBS. Dissipation of the heat produced in the battery can improve the cyclability and specific capacity of LIBs. In real applications, packs of LIB consist several battery cells that are used as the power source. Therefore, it is worth to investigate thermal characteristic of battery packs under their cycles of charging/discharging operations at different applied current rates. To remove the produced heat in batteries, they can be surrounded by materials with high thermal conductivity. Parafin wax absorbs high energy since it has a high latent heat. Absorption high amounts of energy occurs at constant temperature without phase change. As well, thermal conductivity of parafin can be magnified with nano-materials such as graphene, CNT, and fullerene to form a nano-composite medium. Improving the thermal conductivity of LIBs increase the heat dissipation from batteries which is a vital issue in systems of battery thermal management. The application of two-dimensional (2D) materials has been on the rise since exfoliation the graphene from bulk graphite. 2D materials are single-layered in an order of nanosizes which show superior thermal, mechanical, and optoelectronic properties. They are potential candidates for energy storage and supply, particularly in lithium ion batteries as electrode material. The high thermal conductivity of graphene and graphene-like materials can play a significant role in thermal management of batteries. However, defects always exist in nano-materials since there is no ideal fabrication process. One of the most important defects in materials are nano-crack which can dramatically weaken the mechanical properties of the materials. Newly synthesized crystalline carbon nitride with the stoichiometry of C3N have attracted many attentions due to its extraordinary mechanical and thermal properties. The other nano-material is phagraphene which shows anisotropic mechanical characteristics which is ideal in production of nanocomposite.
It shows ductile fracture behavior when subjected under uniaxial loadings. It is worth to investigate their thermo-mechanical properties in its pristine and defective states. We hope that the findings of our work not only be useful for both experimental and theoretical researches but also help to design advanced electrodes for LIBs.

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.

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.

Evaporation is a very important process; it is one of the most critical factors in agricultural, hydrological, and meteorological studies. Due to the interactions of multiple climatic factors, evaporation is considered as a complex and nonlinear phenomenon to model. Thus, machine learning methods have gained popularity in this realm. In the present study, four machine learning methods of Gaussian Process Regression (GPR), K-Nearest Neighbors (KNN), Random Forest (RF) and Support Vector Regression (SVR) were used to predict the pan evaporation (PE). Meteorological data including PE, temperature (T), relative humidity (RH), wind speed (W), and sunny hours (S) collected from 2011 through 2017. The accuracy of the studied methods was determined using the statistical indices of Root Mean Squared Error (RMSE), correlation coefficient (R) and Mean Absolute Error (MAE). Furthermore, the Taylor charts utilized for evaluating the accuracy of the mentioned models. The results of this study showed that at Gonbad-e Kavus, Gorgan and Bandar Torkman stations, GPR with RMSE of 1.521 mm/day, 1.244 mm/day, and 1.254 mm/day, KNN with RMSE of 1.991 mm/day, 1.775 mm/day, and 1.577 mm/day, RF with RMSE of 1.614 mm/day, 1.337 mm/day, and 1.316 mm/day, and SVR with RMSE of 1.55 mm/day, 1.262 mm/day, and 1.275 mm/day had more appropriate performances in estimating PE values. It was found that GPR for Gonbad-e Kavus Station with input parameters of T, W and S and GPR for Gorgan and Bandar Torkmen stations with input parameters of T, RH, W and S had the most accurate predictions and were proposed for precise estimation of PE. The findings of the current study indicated that the PE values may be accurately estimated with few easily measured meteorological parameters.

Methods based on B-splines for model representation, numerical analysis and image registration
(2015)

The thesis consists of inter-connected parts for modeling and analysis using newly developed isogeometric methods. The main parts are reproducing kernel triangular B-splines, extended isogeometric analysis for solving weakly discontinuous problems, collocation methods using superconvergent points, and B-spline basis in image registration applications.
Each topic is oriented towards application of isogeometric analysis basis functions to ease the process of integrating the modeling and analysis phases of simulation.
First, we develop reproducing a kernel triangular B-spline-based FEM for solving PDEs. We review the triangular B-splines and their properties. By definition, the triangular basis function is very flexible in modeling complicated domains. However, instability results when it is applied for analysis. We modify the triangular B-spline by a reproducing kernel technique, calculating a correction term for the triangular kernel function from the chosen surrounding basis. The improved triangular basis is capable to obtain the results with higher accuracy and almost optimal convergence rates.
Second, we propose an extended isogeometric analysis for dealing with weakly discontinuous problems such as material interfaces. The original IGA is combined with XFEM-like enrichments which are continuous functions themselves but with discontinuous derivatives. Consequently, the resulting solution space can approximate solutions with weak discontinuities. The method is also applied to curved material interfaces, where the inverse mapping and the curved triangular elements are considered.
Third, we develop an IGA collocation method using superconvergent points. The collocation methods are efficient because no numerical integration is needed. In particular when higher polynomial basis applied, the method has a lower computational cost than Galerkin methods. However, the positions of the collocation points are crucial for the accuracy of the method, as they affect the convergent rate significantly. The proposed IGA collocation method uses superconvergent points instead of the traditional Greville abscissae points. The numerical results show the proposed method can have better accuracy and optimal convergence rates, while the traditional IGA collocation has optimal convergence only for even polynomial degrees.
Lastly, we propose a novel dynamic multilevel technique for handling image registration. It is application of the B-spline functions in image processing. The procedure considered aims to align a target image from a reference image by a spatial transformation. The method starts with an energy function which is the same as a FEM-based image registration. However, we simplify the solving procedure, working on the energy function directly. We dynamically solve for control points which are coefficients of B-spline basis functions. The new approach is more simple and fast. Moreover, it is also enhanced by a multilevel technique in order to prevent instabilities. The numerical testing consists of two artificial images, four real bio-medical MRI brain and CT heart images, and they show our registration method is accurate, fast and efficient, especially for large deformation problems.

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.