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The main categories of wind effects on long span bridge decks are buffeting, flutter, vortex-induced vibrations (VIV) which are often critical for the safety and serviceability of the structure. With the rapid increase of bridge spans, research on controlling wind-induced vibrations of long span bridges has been a problem of great concern.The developments of vibration control theories have led to the wide use of tuned mass dampers (TMDs) which has been proven to be effective for suppressing these vibrations both analytically and experimentally. Fire incidents are also of special interest in the stability and safety of long span bridges due to significant role of the complex phenomenon through triple interaction between the deck with the incoming wind flow and the thermal boundary of the surrounding air.
This work begins with analyzing the buffeting response and flutter instability of three dimensional computational structural dynamics (CSD) models of a cable stayed bridge due to strong wind excitations using ABAQUS finite element commercial software. Optimization and global sensitivity analysis are utilized to target the vertical and torsional vibrations of the segmental deck through considering three aerodynamic parameters (wind attack angle, deck streamlined length and viscous damping of the stay cables). The numerical simulations results in conjunction with the frequency analysis results emphasized the existence of these vibrations and further theoretical studies are possible with a high level of accuracy. Model validation is performed by comparing the results of lift and moment coefficients between the created CSD models and two benchmarks from the literature (flat plate theory) and flat plate by (Xavier and co-authors) which resulted in very good agreements between them. Optimum values of the parameters have been identified. Global sensitivity analysis based on Monte Carlo sampling method was utilized to formulate the surrogate models and calculate the sensitivity indices. The rational effect and the role of each parameter on the aerodynamic stability of the structure were calculated and efficient insight has been constructed for the stability of the long span bridge.
2D computational fluid dynamics (CFD) models of the decks are created with the support of MATLAB codes to simulate and analyze the vortex shedding and VIV of the deck. Three aerodynamic parameters (wind speed, deck streamlined length and dynamic viscosity of the air) are dedicated to study their effects on the kinetic energy of the system and the vortices shapes and patterns. Two benchmarks from the literature (Von Karman) and (Dyrbye and Hansen) are used to validate the numerical simulations of the vortex shedding for the CFD models. A good consent between the results was detected. Latin hypercube experimental
method is dedicated to generate the surrogate models for the kinetic energy of the system and the generated lift forces. Variance based sensitivity analysis is utilized to calculate the main sensitivity indices and the interaction orders for each parameter. The kinetic energy approach performed very well in revealing the rational effect and the role of each parameter in the generation of vortex shedding and predicting the early VIV and the critical wind speed.
Both one-way fluid-structure interaction (one-way FSI) simulations and two-way fluid-structure interaction (two-way FSI) co-simulations for the 2D models of the deck are executed to calculate the shedding frequencies for the associated wind speeds in the lock-in region in addition to the lift and drag coefficients. Validation is executed with the results of (Simiu and Scanlan) and the results of flat plate theory compiled by (Munson and co-authors) respectively. High levels of agreements between all the results were detected. A decrease in the critical wind speed and the shedding frequencies considering (two-way FSI) was identified compared to those obtained in the (one-way FSI). The results from the (two-way FSI) approach predicted appreciable decrease in the lift and drag forces as well as prediction of earlier VIV for lower critical wind speeds and lock-in regions which exist at lower natural frequencies of the system. These conclusions help the designers to efficiently plan and consider for the design and safety of the long span bridge before and after construction.
Multiple tuned mass dampers (MTMDs) system has been applied in the three dimensional CSD models of the cable stayed bridge to analyze their control efficiency in suppressing both wind -induced vertical and torsional vibrations of the deck by optimizing three design parameters (mass ratio, frequency ratio and damping ratio) for the (TMDs) supporting on actual field data and minimax optimization technique in addition to MATLAB codes and Fast Fourier Transform technique. The optimum values of each parameter were identified and validated with two benchmarks from the literature, first with (Wang and co-authors) and then with (Lin and co-authors). The validation procedure detected a good agreement between the results. Box-Behnken experimental method is dedicated to formulate the surrogate models to represent the control efficiency of the vertical and torsional vibrations. Sobol's sensitivity indices are calculated for the design parameters in addition to their interaction orders. The optimization results revealed better performance of the MTMDs in controlling both the vertical and the torsional vibrations for higher mode shapes. Furthermore, the calculated rational effect of each design parameter facilitates to increase the control efficiency of the MTMDs in conjunction with the support of the surrogate models which simplifies the process of analysis for vibration control to a great extent.
A novel structural modification approach has been adopted to eliminate the early coupling between the bending and torsional mode shapes of the cable stayed bridge. Two lateral steel
beams are added to the middle span of the structure. Frequency analysis is dedicated to obtain the natural frequencies of the first eight mode shapes of vibrations before and after the structural modification. Numerical simulations of wind excitations are conducted for the 3D model of the cable stayed bridge. Both vertical and torsional displacements are calculated at the mid span of the deck to analyze the bending and the torsional stiffness of the system before and after the structural modification. The results of the frequency analysis after applying lateral steel beams declared that the coupling between the vertical and torsional mode shapes of vibrations has been removed to larger natural frequencies magnitudes and higher rare critical wind speeds with a high factor of safety.
Finally, thermal fluid-structure interaction (TFSI) and coupled thermal-stress analysis are utilized to identify the effects of transient and steady state heat-transfer on the VIV and fatigue of the deck due to fire incidents. Numerical simulations of TFSI models of the deck are dedicated to calculate the lift and drag forces in addition to determining the lock-in regions once using FSI models and another using TFSI models. Vorticity and thermal fields of three fire scenarios are simulated and analyzed. The benchmark of (Simiu and Scanlan) is used to validate the TFSI models, where a good agreement was manifested between the two results. Extended finite element method (XFEM) is adopted to create 3D models of the cable stayed bridge to simulate the fatigue of the deck considering three fire scenarios. The benchmark of (Choi and Shin) is used to validate the damaged models of the deck in which a good coincide was seen between them. The results revealed that the TFSI models and the coupled thermal-stress models are significant in detecting earlier vortex induced vibration and lock-in regions in addition to predicting damages and fatigue of the deck and identifying the role of wind-induced vibrations in speeding up the damage generation and the collapse of the structure in critical situations.

Phase Field Modeling for Fracture with Applications to Homogeneous and Heterogeneous Materials
(2017)

The thesis presents an implementation including different applications of a variational-based approach for gradient type standard dissipative solids. Phase field model for brittle fracture is an application of the variational-based framework for gradient type solids. This model allows the prediction of different crack topologies and states. Of significant concern is the application of theoretical and numerical formulation of the phase field modeling into the commercial finite element software Abaqus in 2D and 3D. The fully coupled incremental variational formulation of phase field method is implemented by using the UEL and UMAT subroutines of Abaqus. The phase field method
considerably reduces the implementation complexity of fracture problems as it removes the need for numerical tracking of discontinuities in the displacement field that are characteristic of discrete crack methods. This is accomplished by replacing the sharp discontinuities with a scalar damage phase field representing the diffuse crack topology wherein the amount of diffusion is controlled by a regularization parameter. The nonlinear coupled system consisting of the linear momentum equation and a diffusion type equation governing the phase field evolution is solved simultaneously via a Newton-
Raphson approach. Post-processing of simulation results to be used as visualization
module is performed via an additional UMAT subroutine implemented in the standard Abaqus viewer.
In the same context, we propose a simple yet effective algorithm to initiate and propagate cracks in 2D geometries which is independent of both particular constitutive laws and specific element technology and dimension. It consists of a localization limiter in the form of the screened Poisson equation with, optionally, local mesh refinement. A staggered scheme for standard equilibrium and screened Cauchy equations is used. The remeshing part of the algorithm consists of a sequence of mesh subdivision and element erosion steps. Element subdivision is based on edge split operations using a
given constitutive quantity (either damage or void fraction). Mesh smoothing makes use of edge contraction as function of a given constitutive quantity such as the principal stress or void fraction. To assess the robustness and accuracy of this algorithm, we use both quasi-brittle benchmarks and ductile tests.
Furthermore, we introduce a computational approach regarding mechanical loading in microscale on an inelastically deforming composite material. The nanocomposites material of fully exfoliated clay/epoxy is shaped to predict macroscopic elastic and fracture related material parameters based on their fine–scale features. Two different configurations of polymer nanocomposites material (PNCs) have been studied. These configurations are fully bonded PNCs and PNCs with an interphase zone formation between the matrix and the clay reinforcement. The representative volume element of PNCs specimens with different clay weight contents, different aspect ratios, and different
interphase zone thicknesses are generated by adopting Python scripting. Different constitutive models are employed for the matrix, the clay platelets, and the interphase zones. The brittle fracture behavior of the epoxy matrix and the interphase zones material are modeled using the phase field approach, whereas the stiff silicate clay platelets of the composite are designated as a linear elastic material. The comprehensive study investigates the elastic and fracture behavior of PNCs composites, in addition to predict Young’s modulus, tensile strength, fracture toughness, surface energy dissipation, and cracks surface area in the composite for different material parameters, geometry, and interphase zones properties and thicknesses.

The thesis investigates at the computer aided simulation process for operational vibration analysis of complex coupled systems. As part of the internal methods project “Absolute Values” of the BMW Group, the thesis deals with the analysis of the structural dynamic interactions and excitation interactions. The overarching aim of the methods project is to predict the operational vibrations of engines.
Simulations are usually used to analyze technical aspects (e. g. operational vibrations, strength, ...) of single components in the industrial development. The boundary conditions of submodels are mostly based on experiences. So the interactions with neighboring components and systems are neglected. To get physically more realistic results but still efficient simulations, this work wants to support the engineer during the preprocessing phase by useful criteria.
At first suitable abstraction levels based on the existing literature are defined to identify structural dynamic interactions and excitation interactions of coupled systems. So it is possible to separate different effects of the coupled subsystems. On this basis, criteria are derived to assess the influence of interactions between the considered systems. These criteria can be used during the preprocessing phase and help the engineer to build up efficient models with respect to the interactions with neighboring systems. The method was developed by using several models with different complexity levels. Furthermore, the method is proved for the application in the industrial environment by using the example of a current combustion engine.

The gradual digitization in the architecture, engineering, and construction industry over the past fifty years led to an extremely heterogeneous software environment, which today is embodied by the multitude of different digital tools and proprietary data formats used by the many specialists contributing to the design process in a construction project. Though these projects become increasingly complex, the demands on financial efficiency and the completion within a tight schedule grow at the same time. The digital collaboration of project partners has been identified as one key issue in successfully dealing with these challenges. Yet currently, the numerous software applications and their respective individual views on the design process severely impede that collaboration.
An approach to establish a unified basis for the digital collaboration, regardless of the existing software heterogeneity, is a comprehensive digital building model contributed to by all projects partners. This type of data management known as building information modeling (BIM) has many benefits, yet its adoption is associated with many difficulties and thus, proceeds only slowly. One aspect in the field of conflicting requirements on such a digital model is the cooperation of architects and structural engineers. Traditionally, these two disciplines use different abstractions of reality for their models that in consequence lead to incompatible digital representations thereof.
The onset of isogeometric analysis (IGA) promised to ease the discrepancy in design and analysis model representations. Yet, that initial focus quickly shifted towards using these methods as a more powerful basis for numerical simulations. Furthermore, the isogeometric representation alone is not capable of solving the model abstraction problem. It is thus the intention of this work to contribute to an improved digital collaboration of architects and engineers by exploring an integrated analysis approach on the basis of an unified digital model and solid geometry expressed by splines. In the course of this work, an analysis framework is developed that utilizes such models to automatically conduct numerical simulations commonly required in construction projects. In essence, this allows to retrieve structural analysis results from BIM models in a fast and simple manner, thereby facilitating rapid design iterations and profound design feedback.
The BIM implementation Industry Foundation Classes (IFC) is reviewed with regard to its capabilities of representing the unified model. The current IFC schema strongly supports the use of redundant model data, a major pitfall in digital collaboration. Additionally, it does not allow to describe the geometry by volumetric splines. As the pursued approach builds upon a unique model for both, architectural and structural design, and furthermore requires solid geometry, necessary schema modifications are suggested.
Structural entities are modeled by volumetric NURBS patches, each of which constitutes an individual subdomain that, with regard to the analysis, is incompatible with the remaining full model. The resulting consequences for numerical simulation are elaborated in this work. The individual subdomains have to be weakly coupled, for which the mortar method is used. Different approaches to discretize the interface traction fields are implemented and their respective impact on the analysis results is evaluated. All necessary coupling conditions are automatically derived from the related geometry model.
The weak coupling procedure leads to a linear system of equations in saddle point form, which, owed to the volumetric modeling, is large in size and, the associated coefficient matrix has, due to the use of higher degree basis functions, a high bandwidth. The peculiarities of the system require adapted solution methods that generally cause higher numerical costs than the standard procedures for symmetric, positive-definite systems do. Different methods to solve the specific system are investigated and an efficient parallel algorithm is finally proposed.
When the structural analysis model is derived from the unified model in the BIM data, it does in general initially not meet the requirements on the discretization that are necessary to obtain sufficiently accurate analysis results. The consequently necessary patch refinements must be controlled automatically to allowfor an entirely automatic analysis procedure. For that purpose, an empirical refinement scheme based on the geometrical and possibly mechanical properties of the specific entities is proposed. The level of refinement may be selectively manipulated by the structural engineer in charge. Furthermore, a Zienkiewicz-Zhu type error estimator is adapted for the use with isogeometric analysis results. It is shown that also this estimator can be used to steer an adaptive refinement procedure.

Piezoelectric materials are used in several applications as sensors and actuators where they experience high stress and electric field concentrations as a result of which they may fail due to fracture. Though there are many analytical and experimental works on piezoelectric fracture mechanics. There are very few studies about damage detection, which is an interesting way to prevent the failure of these ceramics.
An iterative method to treat the inverse problem of detecting cracks and voids in piezoelectric structures is proposed. Extended finite element method (XFEM) is employed for solving the inverse problem as it allows the use of a single regular mesh for large number of iterations with different flaw geometries.
Firstly, minimization of cost function is performed by Multilevel Coordinate Search (MCS) method. The XFEM-MCS methodology is applied to two dimensional electromechanical problems where flaws considered are straight cracks and elliptical voids. Then a numerical method based on combination of classical shape derivative and level set method for front propagation used in structural optimization is utilized to minimize the cost function. The results obtained show that the XFEM-level set methodology is effectively able to determine the number of voids in a piezoelectric structure and its corresponding locations.
The XFEM-level set methodology is improved to solve the inverse problem of detecting inclusion interfaces in a piezoelectric structure. The material interfaces are implicitly represented by level sets which are identified by applying regularisation using total variation penalty terms. The formulation is presented for three dimensional structures and inclusions made of different materials are detected by using multiple level sets. The results obtained prove that the iterative procedure proposed can determine the location and approximate shape of material subdomains in the presence of higher noise levels.
Piezoelectric nanostructures exhibit size dependent properties because of surface elasticity and surface piezoelectricity. Initially a study to understand the influence of surface elasticity on optimization of nano elastic beams is performed. The boundary of the nano structure is implicitly represented by a level set function, which is considered as the design variable in the optimization process. Two objective functions, minimizing the total potential energy of a nanostructure subjected to a material volume constraint and minimizing the least square error compared to a target
displacement, are chosen for the numerical examples. The numerical examples demonstrate the importance of size and aspect ratio in determining how surface effects impact the optimized topology of nanobeams.
Finally a conventional cantilever energy harvester with a piezoelectric nano layer is analysed. The presence of surface piezoelectricity in nano beams and nano plates leads to increase in electromechanical coupling coefficient. Topology optimization of these piezoelectric structures in an energy harvesting device to further increase energy conversion using appropriately modified XFEM-level set algorithm is performed .

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 key objective of this research is to study fracture with a meshfree method, local maximum entropy approximations, and model fracture in thin shell structures with complex geometry and topology. This topic is of high relevance for real-world applications, for example in the automotive industry and in aerospace engineering. The shell structure can be described efficiently by meshless methods which are capable of describing complex shapes as a collection of points instead of a structured mesh. In order to find the appropriate numerical method to achieve this goal, the first part of the work was development of a method based on local maximum entropy (LME)
shape functions together with enrichment functions used in partition of unity methods to discretize problems in linear elastic fracture mechanics. We obtain improved accuracy relative to the standard extended finite element method (XFEM) at a comparable computational cost. In addition, we keep the advantages of the LME shape functions,such as smoothness and non-negativity. We show numerically that optimal convergence (same as in FEM) for energy norm and stress intensity factors can be obtained through the use of geometric (fixed area) enrichment with no special treatment of the nodes
near the crack such as blending or shifting.
As extension of this method to three dimensional problems and complex thin shell structures with arbitrary crack growth is cumbersome, we developed a phase field model for fracture using LME. Phase field models provide a powerful tool to tackle moving interface problems, and have been extensively used in physics and materials science. Phase methods are gaining popularity in a wide set of applications in applied science and engineering, recently a second order phase field approximation for brittle fracture has gathered significant interest in computational fracture such that sharp cracks discontinuities are modeled by a diffusive crack. By minimizing the system energy with respect to the mechanical displacements and the phase-field, subject to an irreversibility condition to avoid crack healing, this model can describe crack nucleation, propagation, branching and merging. One of the main advantages of the phase field modeling of fractures is the unified treatment of the interfacial tracking and mechanics, which potentially leads to simple, robust, scalable computer codes applicable to complex systems. In other words, this approximation reduces considerably the implementation complexity because the numerical tracking of the fracture is not needed, at the expense of a high computational cost. We present a fourth-order phase field model for fracture based on local maximum entropy (LME) approximations. The higher order continuity of the meshfree LME approximation allows to directly solve the fourth-order phase field equations without splitting the fourth-order differential equation into two second order differential equations. Notably, in contrast to previous discretizations that use at least a quadratic basis, only linear completeness is needed in the LME approximation. We show that the crack surface can be captured more accurately in the fourth-order model than the second-order model. Furthermore, less nodes are needed for the fourth-order model to resolve the crack path. Finally, we demonstrate the performance of the proposed meshfree fourth order phase-field formulation for 5 representative numerical examples. Computational results will be compared to analytical solutions within linear elastic fracture mechanics and experimental data for three-dimensional crack propagation.
In the last part of this research, we present a phase-field model for fracture in Kirchoff-Love thin shells using the local maximum-entropy (LME) meshfree method. Since the crack is a natural outcome of the analysis it does not require an explicit representation and tracking, which is advantageous over techniques as the extended finite element method that requires tracking of the crack paths. The geometric description of the shell is based on statistical learning techniques that allow dealing with general point set surfaces avoiding a global parametrization, which can be applied to tackle surfaces of complex geometry and topology. We show the flexibility and robustness of the present methodology for two examples: plate in tension and a set of open connected
pipes.

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.

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.

One major research focus in the Material Science and Engineering Community in the past decade has been to obtain a more fundamental understanding on the phenomenon 'material failure'. Such an understanding is critical for engineers and scientists developing new materials with higher strength and toughness, developing robust designs against failure, or for those concerned with an accurate estimate of a component's design life. Defects like cracks and dislocations evolve at
nano scales and influence the macroscopic properties such as strength, toughness and ductility of a material. In engineering applications, the global response of the system is often governed by the behaviour at the smaller length scales. Hence, the sub-scale behaviour must be computed accurately for good predictions of the full scale behaviour.
Molecular Dynamics (MD) simulations promise to reveal the fundamental mechanics of material failure by modeling the atom to atom interactions. Since the atomistic dimensions are of the order of Angstroms ( A), approximately 85 billion atoms are required to model a 1 micro- m^3 volume of Copper. Therefore, pure atomistic models are prohibitively expensive with everyday engineering computations involving macroscopic cracks and shear bands, which are much larger than the atomistic length and time scales. To reduce the computational effort, multiscale methods are required, which are able to couple a continuum description of the structure with an atomistic description. In such paradigms, cracks and dislocations are explicitly modeled at the atomistic scale, whilst a self-consistent continuum model elsewhere.
Many multiscale methods for fracture are developed for "fictitious" materials based on "simple" potentials such as the Lennard-Jones potential. Moreover, multiscale methods for evolving cracks are rare. Efficient methods to coarse grain the fine scale defects are missing. However, the existing multiscale methods for fracture do not adaptively adjust the fine scale domain as the crack propagates. Most methods, therefore only "enlarge" the fine scale domain and therefore drastically increase computational cost. Adaptive adjustment requires the fine scale domain to be refined and coarsened. One of the major difficulties in multiscale methods for fracture is to up-scale fracture related material information from the fine scale to the coarse scale, in particular for complex crack problems. Most of the existing approaches therefore were applied to examples with comparatively few macroscopic cracks.
Key contributions
The bridging scale method is enhanced using the phantom node method so that cracks can be modeled at the coarse scale. To ensure self-consistency in the bulk, a virtual atom cluster is devised providing the response of the intact material at the coarse scale. A molecular statics model is employed in the fine scale where crack propagation is modeled by naturally breaking the bonds. The fine scale and coarse scale models are coupled by enforcing the displacement boundary conditions on the ghost atoms. An energy criterion is used to detect the crack tip location. Adaptive refinement and coarsening schemes are developed and implemented during the crack propagation. The results were observed to be in excellent agreement with the pure atomistic simulations. The developed multiscale method is one of the first adaptive multiscale method for fracture.
A robust and simple three dimensional coarse graining technique to convert a given atomistic region into an equivalent coarse region, in the context of multiscale fracture has been developed. The developed method is the first of its kind. The developed coarse graining technique can be applied to identify and upscale the defects like: cracks, dislocations and shear bands. The current method has been applied to estimate the equivalent coarse scale models of several complex fracture patterns arrived from the pure atomistic simulations. The upscaled fracture pattern agree well with the actual fracture pattern. The error in the potential energy of the pure atomistic and the coarse grained model was observed to be acceptable.
A first novel meshless adaptive multiscale method for fracture has been developed. The phantom node method is replaced by a meshless differential reproducing kernel particle method. The differential reproducing kernel particle method is comparatively more expensive but allows for a more "natural" coupling between the two scales due to the meshless interpolation functions. The higher order continuity is also beneficial. The centro symmetry parameter is used to detect the crack tip location. The developed multiscale method is employed to study the complex crack propagation. Results based on the meshless adaptive multiscale method were observed to be in excellent agreement with the pure atomistic simulations.
The developed multiscale methods are applied to study the fracture in practical materials like Graphene and Graphene on Silicon surface. The bond stretching and the bond reorientation were observed to be the net mechanisms of the crack growth in Graphene. The influence of time step on the crack propagation was studied using two different time steps. Pure atomistic simulations of fracture in Graphene on Silicon surface are presented. Details of the three dimensional multiscale method to study the fracture in Graphene on Silicon surface are discussed.