Dans cette thèse nous implémentons une approche Sturmienne, qui se sert de fonctions Sturmiennes généralisées (GSFs, en anglais), pour étudier l'ionisation de molécules par collisions de photons ou d'électrons. Comme l'Hamiltonian de la cible est non central, la description de l'ionisation des molécules n'est pas simple. En plus, puisque l'orientation spatiale de la molécule n'est généralement pas déterminée lors des expériences, une question importante à considérer est l'orientation aléatoire de la cible. Dans la littérature, des nombreuses méthodes théoriques ont été proposées pour traiter les molécules ; néanmoins, la plupart sont adaptées pour étudier, principalement, des états liés. Une description précise des états non-liés (continuum) des molécules reste un défi. Ici, nous proposons d'attaquer le problème avec les GSFs qui ont, par construction, un comportement asymptotique approprié au système étudié. Cette propriété permet de faire des calculs d'ionisation de façon plus efficace. Dans une première partie, nous validons l'implémentation de notre approche Sturmienne par l'étude de la photo-ionisation (PI) d'atomes. Différents potentiels effectifs sont utilisés pour décrire l'interaction de l'électron éjecté avec la cible ionisée. Les sections efficaces de PI sont calculées dans les jauges de longueur et de vitesse. Pour l'atome d'hydrogène la comparaison avec la formule analytique, indique qu'une convergence très rapide est obtenue avec un nombre modéré de GSFs. Pour He et Ne, nos résultats montrent, également, un très bon accord avec d'autres résultats théoriques et expérimentaux. Dans le cas des molécules, nous avons abordé l'orientation aléatoire avec deux stratégies : une utilise un potentiel moléculaire modèle (non-central), et l'autre un potentiel moyenné (central). Nous étudions la PI de CH4, NH3 et H2O à partir des orbitales de valence extérieure et intérieure, et aussi de SiH4 et H2S à partir des orbitales extérieures. Les sections efficaces de PI et les paramètres d'asymétrie (obtenus à partir des distributions angulaires) sont comparés avec ceux publiés dans la littérature. Nos résultats sont globalement satisfaisants et reproduisent les caractéristiques principales de ce processus d'ionisation. Dans une deuxième partie de la thèse, nous utilisons l'approche Sturmienne pour étudier l'ionisation de molécules par impact d'électrons. Pour le processus (e,2e), les sections efficaces triplement différentielles (TDCSs) sont examinées dans la première et deuxième approximation de Born, également en traitant de deux façons l'orientation aléatoire des molécules. Nous avons testé la méthode en comparent nos TDCSs pour l'atome d'hydrogène, montrant aussi son efficacité. Enfin, nous l'avons apliqué à l'ionisation de CH4, H2O et NH3, et nous avons comparé les résultats avec des données expérimentales et théoriques disponibles dans la littérature. Dans la plupart des cas, nos TDCSs sont en accord satisfaisant avec ces données, en particulier pour H2O et pour des électrons lents dans le cas de CH4 / In this PhD thesis we implement a Sturmian approach, based on generalized Sturmian functions (GSFs), to study the ionization of molecules by collision with photons or electrons. Since the target Hamiltonian is highly non-central, describing molecular ionization is far from easy. Besides, as the spatial orientation of the molecule in most experimental measurements is not resolved, an important issue to take into account is its random orientation. In the literature, many theoretical methods have been proposed to deal with molecules, but many of them are adapted to study mainly bound states. An accurate description of the unbound (continuum) states of molecules remains a challenge. Here we propose to tackle these problems using GSFs, which are characterized to have, by construction, the correct asymptotic behavior of the studied system. This property allows one to perform ionization calculations more efficiently. We start and validate our Sturmian approach implementation by studying photoionization (PI) of H, He and Ne atoms. Different model potentials were used in order to describe the interaction of the ejected electron with the parental ion. We calculated the corresponding PI cross sections in both length and velocity gauges. For H atom, the comparison with the analytical formula shows that a rapid convergence can be achieved using a moderate number of GSFs. For He and Ne we have also an excellent agreement with other theoretical calculations and with experimental data. For molecular targets, we considered two different strategies to deal with their random orientation: one makes use of a molecular model potential (non-central), while the other uses an angular averaged version of the same potential (central). We study PI for CH4, NH3, and H2O, from the outer and inner valence orbitals, and for SiH4 and H2S from the outer orbitals. The calculated PI cross sections and also the asymmetry parameters (obtained from the corresponding angular distributions) are compared with available theoretical and experimental data. For most cases, we observed an overall fairly good agreement with reference values, grasping the main features of the ionization process. In a second part of the thesis, we apply the Sturmian approach to study ionization of molecules by electron collisions. In the so-called (e,2e) processes, fully differential cross sections are investigated within both the first- or the second-Born approximations. Again, we show how to include in the description the random orientation of the molecule. We start with H atom, as a test system: the comparison of the calculated triple differential cross sections (TDCSs) with analytical results illustrates, similarly to the PI case, the efficiency of our GSF method. It is then applied to ionization of CH4, H2O and NH3, and comparisons are made with the few theoretical and experimental data available in the literature. For most cases, our TDCSs can reproduce such data, particularly for H2O and for slow ejected electrons in CH4

A importância da exploração marítima de petróleo, em especial para o Brasil, é indiscutível e risers são estruturas essenciais para essa atividade. Uma melhor compreensão da dinâmica dessas estruturas e dos esforços a que estão submetidas vem resultando de pesquisa constante na área, pesquisa que gera um grande volume de dados, freqüentemente descrevendo fenômenos de difícil compreensão. Este trabalho descreve o desenvolvimento de um ambiente que combina técnicas de realidade virtual (como ambientes 3D, navegação e estereoscopia) e visualização científica (como mapeamento de cores, deformações e glifos) para facilitar a visualização desses dados. O ambiente, batizado como RiserView, permite a montagem de cenas tridimensionais compostas por risers, relevo do solo, superfície marítima, embarcações, bóias e outras estruturas, cada um com sua dinâmica própria. Permite ainda a visualização do escoamento para que a formação de vórtices na vizinhança dos risers e a interação fluido-mecânica resultante possam ser estudadas. O usuário pode controlar parâmetros da visualização de cada elemento e da animação da cena, bem como navegar livremente por ela. Foi desenvolvido também um algoritmo de baixo custo computacional (graças a simplificações possíveis devido à natureza do problema) para detecção e exibição em tempo real de colisões entre risers. O Processo Unificado foi adaptado para servir como metodologia para o projeto e implementação do aplicativo. O uso do VTK (API gráfica e de visualização científica) e do IUP (API para desenvolvimento de interfaces com o usuário) simplificou o desenvolvimento, principalmente para produzir um aplicativo portável para MS-Windows e Linux. Como opções de projeto, a visualização científica e a velocidade na renderização das cenas são privilegiadas, ao invés do realismo e da agilidade na interação com o usuário. As conseqüências dessas escolhas, bem como alternativas, são discutidas no trabalho. O uso do VTK e, através dele, do OpenGL permite que o aplicativo faça uso dos recursos disponíveis em placas gráficas comerciais para aumentar sua performance. Em sua versão atual a tarefa mais custosa para o RiserView é a atualização das posições de risers, principalmente descritos no domínio da freqüência, mas o trabalho discute aprimoramentos relativamente simples para minimizar esse problema. Apesar desses (e de outros) aprimoramentos possíveis, discutidos no trabalho, o ambiente mostra-se bastante adequado à visualização dos risers e de sua dinâmica bem como de fenômenos e elementos a eles associados. / The importance of offshore oil exploration, especially to Brazil, cannot be argued and risers are crucial structures for this activity. A better understanding of the dynamics of these structures and of the efforts to which they are subject has been resulting from constant research in the field, research that generates a large volume of data, often describing phenomena of difficult comprehension. This work describes the development of a software environment that combines elements of virtual reality (3D environments, navigation, stereoscopy) and scientific visualization techniques (such as color mapping, deformations and glyphs) to improve the understanding and visualization of these data. The environment, christened RiserView, allows the composition of tridimensional scenes including risers, the floor and surface of the ocean and ships, buoys and other structures, each with its own dynamics. It also allows the visualization of the flow in the neighborhood of the risers so that vortex shedding and the resulting fluid-mechanic interactions may be studied. The user may control parameters of the scene animation and of the visualization for each of its elements, as well as navigate freely within the scene. An algorithm of low computational cost (thanks to simplifications possible due to the nature of the problem), for the detection and exhibition of collisions between risers in real time, was also developed. The Unified Process was adapted to guide the software's project and implementation. The use of VTK (a scientific visualization and graphics API) and IUP (a user interface development API) simplified the development, especially the effort required to build an application portable to MS-Windows and Linux. As project choices, scientific visualization and the speed in rendering scenes in real time were given higher priority than realism and the agility in the user interaction, respectively. The consequences of these choices, as well as some alternatives, are discussed. The use of VTK and, through it, OpenGL, allows the application to access features available in most commercial graphics cards to increase performance. In its current version, the most costly task for RiserView are the calculations required to update riser positions during animation, especially for risers described in the frequency domain, but the work discusses relatively simple improvements to minimize this problem. Despite these (and other) possible improvements discussed in the work, the application proves quite adequate to the visualization of risers and their dynamics, as well as of associate elements and phenomena.

O crescimento do interesse pelas possíveis aplicações civis de Veículos Aéreos Não Tripulados (VANT) vem resultando em pressões por diversos setores da sociedade para a regulamentação do uso desse tipo de veículo, sobretudo em espaço aéreo não segregado. No entanto, uma vez que a segurança crítica (safety) no sistema de tráfego aéreo é um item de extrema importância, faz-se necessário aprofundar o conhecimento a respeito do assunto. A fim de se criarem meios que permitam um maior entendimento dos riscos de segurança associados a esse tipo de aplicação, propõe-se nesse trabalho uma abordagem baseada em modelagem e simulação computacional para avaliação de risco de colisão de VANT com outras aeronaves. Os conceitos utilizados para modelagem, implementação e avaliação do VANT são apresentados junto aos resultados preliminares obtidos. Também são apresentados o estado da arte do tema abordado e as atividades futuras de pesquisa a serem realizadas. / The growing interest in possible civil applications of Unmanned Aerial Vehicles (UAV) has resulted in pressure from various sectors of society to regulate the use of this type of vehicle, especially in non-segregated airspace. However, since the critical safety in the air traffic system is an item of major importance, it is necessary to deepen the knowledge on the subject. In order to create means to permit a better understanding of the safety risks associated with this type of application, it is proposed herein an approach based on computer modeling and simulation for assessment of collision risk of an UAV and other aircraft. The concepts used for modeling, implementation and evaluation of UAVs are presented along with preliminary results. Additionally, the state of the art of the theme discussed and future research activities to be performed are presented as well.

Cette thèse se place dans un contexte médical de traitements oncologiques, plus particulièrement en protonthérapie robotisée. L’objectif de cette thèse, réalisée sous contrat Cifre avec la société LEONI CIA Cable Systems, est le développement d’une commande en co-manipulation sûre dédiée à un robot médical sériel. Cette commande doit permettre à un opérateur de manipuler intuitivement et précisément un robot de grande inertie positionneur de patients. Les contributions portent sur deux axes, d’une part le développement et l’implémentation sur le robot Orion de l’entreprise LEONI CIA Cable Systems d’une commande en admittance ainsi que la comparaison de trois dispositifs haptiques, et d’autre part le développement d’un mécanisme de détection de collisions proprioceptif permettant l’amélioration de la sécurité de fonctionnement. À partir d’une revue de la littérature concernant les commandes compliantes, nous avons développé et implémenté une commande en admittance dédiée au robot Orion en tenant compte de la discrétisation de la commande par le contrôleur spécifique de ce robot. Une expérience de comparaison sur le robot nous a permis d’identifier le dispositif haptique le mieux adapté au cas clinique considéré. Après une étude de l’état de l’art des mécanismes de détection de collisions, une approche fréquentielle de la modélisation du couple axial prenant en compte les rapports de réduction élevés et de technologie différente du robot a été proposée. Elle permet de modéliser finement le couple théoriquement fourni par les moteurs ; celui-ci est ensuite comparé avec la mesure du couple réellement produit afin de détecter une éventuelle collision. / This PhD thesis takes place in a medical context of oncological treatments, more particularly in robotised protontherapy. The objective of this thesis, carried out under a CIFRE contract with LEONI CIA Cable Systems, is the development of a safe comanipulation control dedicated to a serial medical robot. This control law should allow an operator to intuitively and precisely manipulate a robot of high inertia for accurate patients positioning. The contributions of this thesis focus on the development and implementation of an admittance-controlled Orion robot from LEONI CIA Cable Systems and the comparison of three haptic devices, and on the other hand, on the development of a proprioceptive collision detection mechanism allowing the improvement of operational safety. Based on a review of the literature on compliant controls, we have developed and implemented an admittance control approach dedicated to the Orion robot, taking into account the discretization of the control by the controller specific to this robot. A comparison experiment on the robot allowed us to identify the haptic device best suited to the clinical case considered. Based on a state of the art of collision detection mechanisms analysis, a frequency approach of the modeling of the axial torque taking into account the high reduction ratios and different robot technology has been proposed. It allows us to finely model the torque theoretically provided by the motors ; The latter is then compared with the measurement of the torque actually produced in order to detect a possible collision.

Simulating realistic human behavior on a virtual avatar presents a difficult task. Because the simulated environment does not adhere to the same scientific principles that we do in the existent world, the avatar becomes capable of achieving infeasible postures. In an attempt to obtain realistic human simulation, real world constraints are imposed onto the non-sentient being. One such constraint, and the topic of this thesis, is self-collision avoidance. For the purposes of this topic, a posture will be defined solely as a collection of angles formed by each joint on the avatar. The goal of self-collision avoidance is to eliminate the formation of any posture where multiple body parts are attempting to occupy the exact same space. My work necessitates an extension of this definition to also include collision avoidance with objects attached to the body, such as a backpack or armor. In order to prevent these collisions from occurring, I have implemented an effort-based approach for correcting afflicted postures. This technique specifically pertains to postures that are sequenced together with the objective of animating the avatar. As such, the animation's coherence and defining characteristics must be preserved. My approach to this problem is unique in that it strategically blends the concept of keyframe interpolation with an optimization-based strategy for posture prediction. Although there has been considerable work done with methods for keyframe interpolation, there has been minimal progress towards integrating a realistic collision response strategy. Additionally, I will test this optimization-based approach through the use of a complex kinematic human model and investigate the use of the results as input to an existing dynamic motion prediction system.

The Alisitos arc segment forms part of the western zone of Jura-Cretaceous Peninsular Ranges batholith of Baja California. It extends south from the ancestral Agua Blanca Fault to the state boundary between Baja Norte and Sur. The study area is located within a fold and thrust belt intruded by a number of plutons that were emplaced during and after the deformational event. The northern end of the Alisitos arc is characterized by subvertical tight to isoclinal folds and high-angle reverse faults that define a northwest trending, southwest vergent fold and thrust belt. The aABF defines the northern limit to the Alisitos arc segment. In this study we present the results of a petrographic study of igneous rocks in order to determine the relative timing and the distribution of deformation within the northern Alisitos arc segment. The study includes samples of the mylonitic shear zone of the aABF, and plutonic samples from intrusions proximal to the aABF emplaced later during regional deformation. These samples were investigated in order to characterize the distribution of the subsolidus strain in grain scale and the sense of shear during later phases of deformation in the northern Alisitos arc. The results are presented and discussed based on the mineralogical and textural observations from the Balbuena pluton, the Piedra Rodada pluton, and volcaniclastics that were deformed within the aABF. The Balbuena pluton, emplaced at ~ 108 Ma after the surrounding country rocks had already been folded, exhibits little if any evidence for subsolidus deformation. In contrast, the Piedra Rodada pluton, emplaced at ~ 105 Ma just to the southwest of the aABF, exhibits a strong magmatic fabric overprinted by a moderate subsolidus fabric to the southwest that grades into a strong subsolidus fabric with proximity to the fault. Kinematics observed from lineation parallel-foliation normal sections exhibit consistent top-to-the southwest sense of shear.

The ultimate goal of this research is to develop the capability of direct numerical simulation of a flow containing numerous rigid finite size particles. In order to reach this goal, we have implemented the smoothed profile method (SPM) in the University of Iowa in-house solver, pELAFINT3D and overcame several challenges related to the method. This includes a proposed formulation for the interface thickness and many validations and comparisons with experimental data as well as with a second-order accurate sharp interface method. As one of the issues related to low-density particles is the instability, SPM has been improved by developing to a fully implicit scheme. Moreover, use of higher order integration formulation and implementation of Euler parameters have been shown to be helpful in stabilization of the calculations. To preserve the efficiency when the number of the particles increases, local mesh refinement is shown to be a very effective tool. A revised version of SPM that has only one projection step is proposed to improve the efficiency of the method. A comprehensive efficiency study is performed and it has been shown that the new method is less expensive in problems with high added mass effect when strongly coupled fluid-structure interaction schemes are used. Moreover, the code is massively parallelized using MPI and PETSc libraries. The parallelization includes I/O, operations leading to construction of the linear solver as well as the solver itself. Simulation of a particle laden flow involves particles collisions. Two novel collision models are suggested which are able to avoid particle overlapping for arbitrary shape particles. The methods are efficient as they are not involved with extra grid refinement related to implementing lubrication forces. The issue of handling continuously changing number of particles in a particle laden flow is solved by implementation of a linked list data structure for the particles. By studying a flow over a constricted region we showed that the platelets’ activation is more likely to happen for the particles that pass from the middle of the upper bump region because those particles will have longer exposure time to the high shear flow behind the bump. PDF contour of particles’ presence show the more concentrated presence of the particles near the bump. Moreover, the interaction of RBCs and platelets pushes the platelets toward the wall after the bottom wall.

Due to the nature of tunnels, a driver in an underground mine may find themselves driving without much vision of the road up ahead. The tunnels usually allow for traffic in both directions but are often only wide enough for a single vehicle. To let vehicles pass each other meeting slots have been carved into the tunnel walls, where one can park while the other passes. Because of the limited vision, however, it is unlikely that a meeting with another vehicle will occur directly next to such a meeting slot. Instead, one of the vehicles must reverse to the closest meeting slot in order to let the other pass. This makes mine tunnels a very inhospitable driving environment, causing disruptions to traffic flow throughout the mine. Unfortunately, typical traffic management or scheduling solutions are not useful, as real-time positioning for the vehicles is often poor while network connectivity cannot be guaranteed in the mine environment. This thesis presents a solution which will avoid situations where a driver needs to back up, and instead present meeting slots in which to park ahead of time. This is done by calculating velocity probability distributions for road segments from historical data and using these to estimate arrival times to meeting slots. In addition, a more comprehensive solution is presented, taking into account the accuracy of positioning, outdated information due to poor connections and more complicated scenarios. The results show that estimating arrival times using only historical data is a very feasible technology, which can realistically be implemented today. Such an implementation could, in the author's opinion, improve driver safety and efficiency significantly, compared to a driver having no information or simply knowing rough positions of nearby vehicles. This being said, there are still steps that can be taken to improve the solution and to develop a more comprehensive system overall.

A suite of new collision avoidance systems (CAS) is presented for use in heavy vehicles whose structure and size necessarily impede driver visibility is introduced. The main goal of the project is to determine the appropriate use of each of the commercially available technologies and, where possible, produce a low cost variant suitable for use in proximity detection on large mining industry haul trucks. CAS variants produced were subjected to a field demonstration and, linked to the output from the earlier CAS 1 project, (a production high-definition in-cabin video monitor and r/f tagging system). The CAS 2 system used low cost Doppler continuous wave radar antennae coupled to the CAS 1 monitor to indicate the presence of an object moving at any speed above 3 Km/h relative to the antennae. The novelty of the CAS 3 system lies in the design of 3 interconnected, modules. The modules are 8 radar antennae (as used in CAS 2) modules located on the truck, software to interface with the end user (i.e. the drivers of the trucks) and a display unit. Modularisation enables the components to be independently tested, evaluated and replaced when in use. The radar antennae modules and the system as a whole are described together with the empirical tests conducted and results obtained. The tests, drawing on Monte-Carlo simulation techniques, demonstrate both the 'correctness' of the implementations and the effectiveness of the system. The results of the testing of the final prototype unit were highly successful both as a computer simulation level and in practical tests on light vehicles. A number of points, (as a consequence of the field test), are reviewed and their application to future projects discussed.

The requirement to operate vehicles in low light and/or night environments whilst wearing night vision goggle (NVG) systems has become increasingly common during military operations. There is very limited research investigating injury risks associated with these systems during ground vehicle collisions. This study examined the injury risks associated with wearing the Australian Defence Force - Enhanced Combat Helmet (ECH) and NVG system, in frontal vehicle collisions. This project consisted of two components: (1) crash tests using a sled and (2) numerical simulations of impacts. Four dynamic sled tests were conducted using a 50th percentile, male, Hybrid III dummy positioned on a rigid seat. Frontal impact tests were performed at a 40 km/h change in velocity (*v) and 20 g deceleration. The test configurations were as follows: (a) Base; (no helmet or additional equipment); (b) ECH; and, (c) ECH and NVG. Condition (c) was carried out twice, to determine repeatability. The sled test protocols were reconstructed precisely with the numerical simulation package MADYMO and the simulations were shown to correlate well with the experimental results. Using this validated model, four parametric studies were undertaken to assess the influence of counterweights, seat cushion, seatbelt pre-tensioner, and the vehicle's *v and acceleration on injury risks. The study found that neck loads were within acceptable limits, with the exception of the neck extension moment, which was exceeded for all NVG conditions. Based on the parametric studies, no major improvements were observed in the neck extension moments with the use of counterweights or a seat cushion. In contrast the use of a seatbelt pre-tensioner was observed to decrease greatly this neck injury risk in certain scenarios. The study also identified that a *v of 15 km/h and peak acceleration of up to 14 g were required to keep the neck extension moment below the prescribed injury criteria. However, the high neck extension moment values may have been partially attributable to the stiff Hybrid III neck. This study identified a possible injury mechanism for soldiers using the ECH and NVG system during specific impact scenarios. The method applied in this project was designed to be repeatable.