No / We address the problem of recognition and growth of ice nuclei in simulation of supercooled bulk water. Bond orientation order parameters based on the spherical harmonics analysis are shown to be ineffective when applied to ice nucleation. Here we present an alternative method which robustly differentiates between hexagonal and cubic ice forms. The method is based on accumulation of the maximum projection of bond orientations onto a set of predetermined vectors, where different terms can contribute with opposite signs with the result that the irrelevant or incompatible molecular arrangements are damped out. We also introduce an effective cluster size by assigning a quality weight to each molecule in an ice-like cluster. We employ our cluster analysis in Monte Carlo simulation of homogeneous ice formation. Replica-exchange umbrella sampling is used for biasing the growth of the largest cluster and calculating the associated free energy barrier. Our results suggest that the ice formation can be seen as a two-stage process. Initially, short tetrahedrally arranged threads and rings are present; these become correlated and form a diffuse ice-genic network. Later, hydrogen bond arrangements within the amorphous ice-like structure gradually settle down and simultaneously `tune-up¿ nearby water molecules. As a result, a well-shaped ice core emerges and spreads throughout the system. The process is very slow and diverse owing to the rough energetic landscape and sluggish molecular motion in supercooled water, while large configurational fluctuations are needed for crystallization to occur. In the small systems studied so far the highly cooperative molecular rearrangements eventually lead to a relatively fast percolation of the forming ice structure through the periodic boundaries, which inevitably affects the simulation results. / EPSRC

Les ombres sont un élément important pour la compréhension d'une scène. Grâce à elles, il est possible de résoudre des situations autrement ambigües, notamment concernant les mouvements, ou encore les positions relatives des objets de la scène. Il y a principalement deux types d'ombres: des ombres dures, aux limites très nettes, qui résultent souvent de lumières ponctuelles ou directionnelles; et des ombres douces, plus floues, qui contribuent à l'atmosphère et à la qualité visuelle de la scène. Les ombres douces résultent de grandes sources de lumière, comme des cartes environnementales, et sont difficiles à échantillonner efficacement en temps réel. Lorsque l'interactivité est prioritaire sur la qualité, des méthodes d'approximation peuvent être utilisées pour améliorer le rendu d'une scène à moindre coût en temps de calcul. Nous calculons interactivement les ombres douces résultant de sources de lumière environnementales, pour des scènes composées d'objets en mouvement et d'un champ de hauteurs dynamique. Notre méthode enrichit la méthode d'exponentiation des harmoniques sphériques, jusque là limitée aux bloqueurs sphériques, pour pouvoir traiter des champs de hauteurs. Nous ajoutons également une représentation pour les BRDFs diffuses et glossy. Nous pouvons ainsi combiner les visibilités et BRDFs dans un même espace, afin de calculer efficacement les ombres douces et les réflexions de scènes complexes. Un algorithme hybride, qui associe les visibilités en espace écran et en espace objet, permet de découpler la complexité des ombres de la complexité de la scène. / Shadows provide important visual cues to a viewer about the relative positions of objects in a scene, as well as certain properties of the lighting in an environment, such as orientation, size, and intensity. The importance of shadows in visual simulations is even more striking when any element of an environment, such as characters in a scene or the light sources themselves, are animated over time. The simulation of so-called "hard" shadows from small point or directional light sources is a very mature field in computer graphics, with many concrete and well-established solutions. On the other hand, efficiently approximating the shadowing effects from larger "area" light sources, such as ceiling lights or environment maps captured from the real world, remains an open problem. Indeed, in many applications, the availability of a high-performance solution to this problem trumps the need for an accurate solution. Our work aims to solve the problem of approximating soft shadows interactively, in scenes where the geometric elements and lighting are both allowed to be animated over time. We decompose dynamic scene elements into deformable objects, approximated with a collection of non-deformable animated spheres, and height field geometry. By leveraging a novel spherical harmonic basis-space exponentiation formulation, we are able to very quickly accumulate the shadowing effects from these many dynamic blockers, while also encoding their local reflectance behaviour in a similar reduced basis representation. Our proof-of-concept implementation uses a hybrid, multi-resolution image- and object-space visibility marching algorithm that decouples geometric complexity from radiometric complexity. We demonstrate our method on several scenes with dynamic blockers and complex illumination.

Övertoner orsakade av varvtalsstyrda motordrifter ger problem i industrisystem. Syftet med studien är att identifiera problemen och ge rekommendationer för att undvika dem. Studien utfördes som examensjobb på KTH för konsultföretaget Ramböll. En litteraturstudie i ämnet kombinerades med elkvalitémätningar på drifter hos Sandvik Mining. Elkvalitéproblem orsakade av varvtalsstyrda motordrifter kommer till stor del av att frekvensstyrningen ger olinjärt strömuttag som, om nätet inte är tillräckligt starkt, påverkar spänningskvalitén. Problemen kan vara driftstopp, störd utrustning och ökat slitage på utrustning för att nämna några. Denna studie visar att vid ändringar i system innehållande övertoner kan framtida övertonshalter approximeras för vissa fall. För att upprätta en modell över systemet där lasten ses som en övertonsgenerator utförs mätningar före ändringen. Med vissa antaganden om nätimpedansen kan sedan beräkningar av övertonshalten i systemet efter ändring utföras. I denna studie har en förenklad modell använts för att förutse övertonshalter efter ändringar. Syftet är att visa på ett resurseffektivt sätt att approximera så att information för att förebygga problem finns vid beslutsfattande om ändringar. Elkvalitéproblem skulle kunna förebyggas i högre grad och att inte göra det är onödigt slöseri med ekonomiska, ekologiska och sociala resurser. / Harmonics caused by variable speed drives create problems in industrial systems. The purpose of this study is to identify these problems and give recommendations to avoid them. The study was conducted as a bachelor thesis at the Royal Technical University in Stockholm, Sweden for the consultant company Ramboll Energy. A literature review was combined with electrical power quality measurements on variable speed motor operations conducted at Sandvik Mining in Sandviken, Sweden. Electrical quality problems caused by variable speed drives origin mainly from frequency inverter control that gives a non-linear current usage which, if the grid is not strong enough, affects voltage quality. Examples of problems are production downtime, disruption and malfunction of equipment and increased wear of equipment. This study shows that when making changes in systems containing harmonics, future harmonic levels can be approximated in some cases. Measurements before the change provide input data to model the system, describing the load as a harmonic current generator. With some assumptions on the grid impedance, calculating an approximation on harmonic after the change is possible. This study has used a simplified model for the prediction of harmonic levels after a change in the system. The purpose is to propose a cost effective way to approximate so that information on how to prevent problems …in the decision making. Electrical power quality problems could be prevented more often and not doing that is a waste of economical, environmental and social resources.

The power plant and aerospace industries have been facing a huge loss, due to structural failure. The structural failure occurs due to the presence of the crack in it. Hence, it becomes necessary to monitor the structural health under operating condition. Most of the techniques, for structural health monitoring are used for a specific purpose. Some of these techniques require structure dismantling, which is very much expensive and time consuming. So the vibration based structural health monitoring is advantageous, compared to other techniques. Most of the vibration based Structural Health Monitoring (SHM) approaches, use linear vibration theory. But, these linear vibration based procedures, have inherently low sensitivity to crack. Since crack introduces nonlinearities in the system, their merits in damage detection need to be investigated for SHM. In this thesis, the problem is focused on studying nonlinear dynamics of cracked structures for Structural Health Monitoring. For this, simulations and experiments are performed. The new procedure for the simulation is developed using Matlab-Simulink. It uses the numerical approximation for dynamic compliance operators and a nonlinear model of cracks contact faces interaction to study the dynamic behaviour of the cracked bar. Furthermore, the finite element model of the cracked cantilever bar with crack- tip plasticity is developed and the dynamic behaviour of the elasto-plastic bar is studied. Additionally, numerous experiments are performed to study the dynamics of cantilever bar with the fatigue crack in it. The results from Matlab-Simulink simulation shows the distribution of higher harmonics generated along the bar length, as a function of distance from the crack. In finite element simulation, comparison is made between the resonance frequency of cracked cantilever bar with and without crack-tip plasticity. It is found that, there is decrease in resonance frequency of the cracked bar with cracked tip plasticity, when compared with the resonance frequency of cracked bar without crack-tip plasticity. This reduction in resonance frequency is due to the crack-induced plasticity near the crack tip which affects the overall stiffness of bar. In experiments, the response is measured at four different points on the cracked cantilever bar at a given resonant frequency of excitation at lower and higher vibration amplitude. For lower vibration amplitude, it is found that the response obtained near the vicinity of the crack shows the presence of higher harmonics of resonant frequency, which disappears in the response obtained far away from the crack. For higher vibration amplitude, it is found that the response obtained near the vicinity of the crack shows the presence of higher harmonics along with the low frequency component. This low frequency component causes modulation, which leads to the generation of side band frequencies near the resonant frequency. The occurrence of low frequency component and side band frequencies is due to the vibro-impact behaviour of crack. The amplitude of these side band frequencies and higher harmonics are reduced in the response obtained far away from the crack. This indicates that crack-induced nonlinearity has a localized effect on the dynamics of bar. It is also observed that the magnitude of low frequency component is proportional to the magnitude of resonant frequency of excitation. This indicates that crack behaves like a signal modulator, detector of low frequency component and amplifier as the magnitude of low frequency component is proportional to the magnitude of resonant frequency excitation. From the Matlab-Simulink simulation and experimental results, it is concluded that crackinduced nonlinearity affects the dynamic behaviour of the cracked bar significantly, which will be effective in structural health monitoring. Keywords: vibro-impact, crack, dynamic compliance, harmonics, modulator, detector, amplifier, crack-tip plasticity, resonance frequency, structural health monitoring.

Este trabalho apresenta o estudo, análise e a implementação de três topologias de condicionadores ativos de energia elétrica, utilizados para a melhoria da qualidade da energia em sistemas elétricos trifásicos a quatro fios. Estes condicionadores de qualidade de energia podem trabalhar tanto como um condicionador unificado de qualidade de energia (UPQC), bem como uma fonte de alimentação ininterrupta (UPS), permitindo: (i) a supressão das correntes harmônicas da carga; (ii) a compensação de energia reativa da carga; (iii) compensação dos desequilíbrios das correntes de carga; (iv) a compensação de desequilíbrios de tensão da rede; (v) supressão das tensões harmônicas da rede elétrica; (vi) a regulação das tensões de saída (tensões de carga); e (vii) fornecimento de energia ininterrupta para as cargas críticas (sistema UPS). Dentre as três topologias de UPQC/UPS estudadas, uma delas é proposta neste trabalho com o intuito de reduzir a tensão no barramento CC. Além disso, todas as topologias em estudo são constituídas por dois conversores PWM, nos quais é adotada uma estratégia de controle dual. Desse modo, o conversor colocado em paralelo com a carga, funciona como uma fonte de tensão senoidal, enquanto que o conversor colocado em série entre a rede elétrica e a carga, é controlado para operar como uma fonte de corrente senoidal. Tanto os controladores de tensão, quanto os de corrente são implementados no referencial síncrono dq0. Além disso, a técnica de modulação vetorial espacial tridimensional (3-D-SVM) é empregada nos conversores. Testes experimentais são apresentados para validar o desenvolvimento teórico e verificar o bom desempenho estático e dinâmico dos condicionadores ativos de energia elétrica, operando como UPQC, bem como sistema UPS. / This work presents the study, analysis and implementation of three topologies of active power conditioners, which are used to improve the power quality in three-phase four-wire systems. These power quality conditioner can work as unified power quality conditioner (UPQC), as well as an uninterruptible power supply (UPS) system allowing: (i) suppression of load harmonic currents; (ii) compensation of load reactive power; (iii) load unbalances compensation; (iv) utility voltage unbalances compensation; (v) utility voltage harmonics suppression; (vi) regulation of the output voltages (load voltages); and (vii) uninterruptible power for critical loads when working as UPS system. Among the three topologies of UPQC/UPS studied, one of them is proposed in this work in order to reduce the DC-bus voltage. Besides, all the topologies are comprised of two PWM converters, where a dual control strategy is adopted. The first converter, which is placed in parallel with the load, operates as a sinusoidal voltage source, while the second, which is placed in series between the utility grid and the load, is controlled to operate as a sinusoidal current source. Both the voltage and current controllers are implemented into the synchronous rotating reference frame (dq0-axes). In addition, the series and parallel converters use the three-dimensional space vector modulation (3-D-SVM) technique. The experimental tests are presented to validate the theoretical development and to verify the effective static and dynamic performance of the proposed active power conditioners, operating as UPQC and UPS.

This thesis presents a new DC/AC inverter circuit which is based on a switched-capacitor circuit topology with reduced components (power switch and capacitor) count for low power applications. The proposed circuit has distinct features of both voltage boost-up and near sinusoidal (multi-level/staircase) AC output voltage. The main idea is to utilise a simple circuit technique called resonant-based Double Switch Single Capacitor Switched-Capacitor (DSSC SCC) with variable duty cycle Pulse Width Modulation (PWM) control technique in such a way that multi-level voltage can be realised across a capacitor. In order to show the superiority of the applied technique, comparisons with other techniques/circuits configurations are presented. The circuit technique can significantly reduce the number of multiple stages of switched-capacitor circuit cells of the recent switched-capacitor multi-level inverter topology. The proposed inverter (with integrated DSSC SCC technique) can generate a line-frequency with 13-levels near sinusoidal AC output voltage with low total harmonics distortion. The output voltage can be achieved with the least number of components use and only a single DC source is used as an input. The proposed inverter topology is also reviewed against other inverter-based switched-capacitor circuit topology and the well-known multi-level inverter topology. The proposed inverter has shown a tremendous reduction in the total harmonics distortion and circuit component count in comparison with the recent Switched-Capacitor Boost multi-level inverter and the classical Cascaded H-Bridge multi-level inverter. Mathematical analysis shows the design of the proposed inverter and PSPICE simulation result to verify the design is also presented. The practical experiment implementation of the proposed system is presented and proves the correct operation of the proposed inverter topology by showing consistency between simulation results and practical results.

The study of particle morphology plays an important role in understanding the micromechanical behavior of cohesionless soil. Shear strength and liquefaction characteristics of granular soil depend on various morphological characteristics of soil grains such as their particle size, shape and surface texture. Therefore, accurate characterization and quantification of particle shape is necessary to study the effect of grain shape on mechanical behavior of granular assembly. However, the theoretical and practical developments of quantification of particle morphology and its influence on the mechanical response of granular assemblies has been very limited due to the lack of quantitative information about particle geometries, the experimental and numerical difficulties in characterizing and modeling irregular particle morphology. Motivated by the practical relevance of these challenges, this research presents a comprehensive approach to model irregular particle shape accurately both in two and three dimensions. To facilitate the research goal, a variety of natural and processed sand samples is collected from various locations around the world. A series of experimental and analytical studies are performed following the sample collection effort to characterize and quantify particle shapes of various sand samples by using Fourier shape descriptors. As part of the particle shape quantification and modeling, a methodology is developed to determine an optimum sample size for each sand sample used in the analysis. Recently, Discrete Element Method (DEM) has gained attention to model irregular particle morphology in two and three dimensions. In order to generate and reconstruct particle assemblies of highly irregular geometric shapes of a particular sand sample in the DEM environment, the relationship between grain size and shape is explored and no relationship is found between grain size and shape for the sand samples analyzed. A skeletonization algorithm is developed in this study in order to automate the Overlapping Discrete Element Cluster (ODEC) technique for modeling irregular particle shape in two and three dimensions. Finally, the two-dimensional and three-dimensional particle shapes are implemented within discrete element modeling software, PFC2D and PFC3D, to evaluate the influence of grain shape on shear strength behavior of granular soil by using discrete simulation of direct shear test.

O campo magnético estabelecido no entreferro das máquinas síncronas é responsável pela transmissão do torque e potência desejados, porém é também precursor de forças radiais inerentes. Tais forças combinadas à resposta dinâmica do sistema mecânico podem resultar em vibração excessiva do núcleo do estator, o que em geral é indesejável devido a eventuais danos e redução de vida útil decorrentes. Este trabalho tem como objetivo principal desenvolver modelos e simulações focados nas forças eletromagnéticas atuantes no núcleo do estator de tal forma que estes possam contribuir para compreensão global dos fenômenos envolvidos bem como para refinamento de resultados já conhecidos. De forma complementar, modelos mecânicos analíticos do núcleo do estator existentes na literatura serão explorados com a finalidade de, em conjunto com as forças eletromagnéticas encontradas, se obter o comportamento vibracional global da estrutura do núcleo do estator. Validação experimental dos resultados também é discutida com base em ensaios em duas máquinas reais. / The magnetic field established in the airgap of a synchronous machine is responsible for the desired torque and power transmission; however it is also precursor of inherent radial forces. Such forces combined to the dynamic response of the mechanical system can result in excessive stator core vibration, what is in general undesirable due to eventual damages and life span reduction. This work has the main objective of developing models and simulations focused on the electromagnetic forces acting on the stator core in such a way that they can contribute for the global comprehension of involved phenomena as well as for the refinement of already known results. Complementarily, analytical mechanical models of the stator core available in the literature will be explored with the goal of, in conjunction with the obtained electromagnetic forces, deriving the global vibrational behavior of the stator core structure. Experimental validation of results is also discussed based on tests performed in two real machines.

<p>New methods for global shape description of three-dimensional digital objects are presented. The shape of an object is first represented by a digital surface where the faces are either triangles or quadrilaterals. Techniques for computing a high-quality parameterization of the surface are developed and this parameterization is used to approximate the shape of the object. Spherical harmonics are used as basis functions for approximations of the coordinate functions. Information about the global shape is then captured by the coefficients in the spherical harmonics expansions.</p><p>For a starshaped object it is shown how a parameterization can be computed by a projection from its surface onto the unit sphere. An algorithm for computing the position at which the centre of the sphere should be placed, is presented. This algorithm is suited for digital voxel objects. Most of the work is concerned with digital objects whose surfaces are homeomorphic to the sphere. The standard method for computing parameterizations of such surfaces is shown to fail on many objects. This is due to the large distortions of the geometric properties of the surface that often occur with this method. Algorithms to handle this problem are suggested. Non-linear optimization methods are used to find a mapping between a surface and the sphere that minimizes geometric distortion and is useful as a parameterization of the surface. </p><p>The methods can be applied, for example, in medical imaging for shape recognition, detection of shape deformations and shape comparisons of three-dimensional objects.</p>

New methods for global shape description of three-dimensional digital objects are presented. The shape of an object is first represented by a digital surface where the faces are either triangles or quadrilaterals. Techniques for computing a high-quality parameterization of the surface are developed and this parameterization is used to approximate the shape of the object. Spherical harmonics are used as basis functions for approximations of the coordinate functions. Information about the global shape is then captured by the coefficients in the spherical harmonics expansions. For a starshaped object it is shown how a parameterization can be computed by a projection from its surface onto the unit sphere. An algorithm for computing the position at which the centre of the sphere should be placed, is presented. This algorithm is suited for digital voxel objects. Most of the work is concerned with digital objects whose surfaces are homeomorphic to the sphere. The standard method for computing parameterizations of such surfaces is shown to fail on many objects. This is due to the large distortions of the geometric properties of the surface that often occur with this method. Algorithms to handle this problem are suggested. Non-linear optimization methods are used to find a mapping between a surface and the sphere that minimizes geometric distortion and is useful as a parameterization of the surface. The methods can be applied, for example, in medical imaging for shape recognition, detection of shape deformations and shape comparisons of three-dimensional objects.