L'hydrogène moléculaire est la molécule la plus abondante dans l'Univers. Il est reconnu que cette molécule ne peut se former que par un processus catalytique. Les études théoriques ont été menées très récemment sur la forstérite [010] cristalline et amorphe. C'est dans ce cadre que se situe notre étude qui porte sur les réactions de formation de l'hydrogène moléculaire sur des modèles de surfaces silicées et silicatées.Dans un premier temps, nous avons étudié la réaction d'abstraction par l'hydrogène atomique à partir du tétramethylsilane en phase gazeuse. La CVT incluant la correction SCT a été appliquée pour étudier la cinétique des réactions dans un intervalle de températures allant de 180 K à 2000 K. Etant donnée l'importance de l'effet tunnel à basse température, nous avons entrepris des calculs de dynamique quantique. Pour ce faire, une surface d'énergie potentielle en coordonnées hyper-sphériques a été construite. Le calcul quantique a été réalisé en utilisant une approche à dimensionnalité réduite à deux dimensions appliquée à ce problème de collision réactive colinéaire. Les résultats montrent que H2 est principalement formé dans son état vibrationnel fondamental. La comparaison avec les résultats expérimentaux réalisés dans le domaine de températures 425-570 K montre un accord satisfaisant. Une étude de formation de H2 sur des nanosilicates a été menée. Les méthodes de la DFT ont permis d'identifier les sites de physisorption et de chimisorption d'atomes d'hydrogène, d'étudier la diffusion de l'atome H physisorbé sur le cluster, de déterminer les caractéristiques énergétiques de ces sites et les énergies d'activation pour la désorption et la recombinaison de H2. / Molecular hydrogen is the most abundant molecule in the Universe. It was recognized long ago that the formation of molecular hydrogen most likely occurs on dust grains. Theoretical studies have focused on H2 formation mainly on model graphite surfaces and very recently on polycrystalline and amorphous foresterite [010]. It is within this framework that lies our study addressing the molecular hydrogen formation on new models of siliceous and silicateous surfaces. First, we studied the abstraction reaction by atomic hydrogen from tetramethylsilane in the gas phase. We used accurate methods of quantum chemistry based on the second-order perturbation theory and on the coupled clusters method. The KIEs and SKIEs were highlighted. CVT/SCT correction was applied to compute the reaction kinetics for a wide temperature range (180-2000 K). Given the importance of the quantum tunnelling effects at low temperatures, we investigated state-selected dynamics using quantum dynamics calculations. In order to achieve this purpose, a two-dimensional potential energy surface in the hyperspherical coordinates representation was built. Quantum calculations were performed using a reduced dimensionality approach applied to this collinear reactive collision problem. The comparison with the experimental results, performed within a temperature range between 425 and 570 K, shows a reasonable agreement.The H2 formation on nanosilicates, prototypes of silicate surfaces, was investigated. Using DFT, we identified physisorption and chemisorption sites for hydrogen atoms, then studied the diffusion of physisorbed hydrogen on the nanoclusters and calculated the energy properties and the activation energies for H2 recombination and desorption into the gas phase. Amorphous/porous grains with forsteritic composition tend to dissociate H2 and that the more crystalline/compact silicate grains would tend to catalyse H2 formation.

Submitted by Renata Lopes (renatasil82@gmail.com) on 2015-12-16T17:29:20Z No. of bitstreams: 1 alexandremenezesteixeira.pdf: 8409444 bytes, checksum: df76f8cbe4e829db629062da1fd25bc7 (MD5) / Approved for entry into archive by Adriana Oliveira (adriana.oliveira@ufjf.edu.br) on 2015-12-17T11:07:03Z (GMT) No. of bitstreams: 1 alexandremenezesteixeira.pdf: 8409444 bytes, checksum: df76f8cbe4e829db629062da1fd25bc7 (MD5) / Made available in DSpace on 2015-12-17T11:07:03Z (GMT). No. of bitstreams: 1 alexandremenezesteixeira.pdf: 8409444 bytes, checksum: df76f8cbe4e829db629062da1fd25bc7 (MD5) Previous issue date: 2015-02-23 / FAPEMIG - Fundação de Amparo à Pesquisa do Estado de Minas Gerais / Monitorar um ambiente através de múltiplos robôs autônomos em um espaço compartilhado sem que haja colisões é um grande desafio nos dias atuais. Várias pesquisas na área de robótica tem sido feitas para desenvolver essa tarefa. Sendo assim, este trabalho atua na coordenação de movimento de múltiplos robôs de serviço percorrendo de forma cíclica caminhos que se interceptam. É desejável que os robôs sigam pelos caminhos inicialmente planejados sem mudá-los durante a missão. Para evitar possíveis colisões, um controlador central foi desenvolvido para planejar as velocidades médias que os robôs deverão efetuar em cada trecho do circuito, maximizando o menor intervalo de tempo t que eles cruzam por um mesmo ponto de colisão. A solução centralizada utilizada neste trabalho foi modelada como um problema Mixed Interger Linear Programming (MILP) sendo usado o software Linear Interactive and General Optimizer (LINGO) para maximizar t e encontrar para cada robô os tempos de percurso para cada parte do caminho. Foi desenvolvida uma aplicação em C++ capaz de iniciar o processo de otimização e receber os tempos otimizados de percurso de cada robô, usados para determinar as suas respectivas velocidades médias. Além disso, esta rotina de programação teve como objetivo realizar o controle dos robôs, navegando-os com o auxílio do framework Robot Operating System (ROS) integrado ao LINGO. Para localizá-los no espaço utilizou-se um pacote de visão computacional do ROS denominado ARPOSE, com o intuito de descobrir suas respectivas posições e orientações em relação à um eixo de referência global. Por fim, simulações e testes reais foram realizados sobre um grupo de robôs para demonstrar a eficácia da abordagem. Os resultados obtidos foram satisfatórios, o que possibilitou atingir os objetivos propostos. / Monitoring an environment using multi-autonomous robots operating in a shared workspace without collisions with each other is a great challenge nowadays. Many researchs have been done to develop this important task in robotics. Thus, this thesis deals with coordinating the motions of multiple working robots traversing periodic intersecting paths. It is desired that mobile robots following the initially designed paths without change them during the mission. To avoid any collision a centralized controller was developed to planner the velocity profile of the robots over the predefined paths, maximizing the smallest time margin t that the robots cross over a same collision point. The centralized solution used in this work was modeled as a Mixed Integer Linear Programming (MILP) problem using the Linear Interactive and General Optimizer (LINGO) software to maximize t and to find for each robot the sub-path traversal time. It was developed a C++ code capable to start the optimization process and receive for each robot the optimized traversal times, used to calculate their respectives average speeds. Besides, this code was used to control the robots, which was done through the Robot Operating System (ROS) framework integrated with LINGO. A computer vision ROS package named ARPOSE was used to localize the robots during the task, calculating their poses relative the global reference frame. Finally, to demonstrate the effectiveness of the approach, simulantions and real tests was performed on mobile robots group. The results obtained were satisfactory, which allowed to achieve the goals.

Nous étudions des fluctuations qui sont omniprésentes dans des collisions entre particules aux hautes énergies. Ces fluctuations peuvent être de nature classique ou quantique et nous allons considérer ces deux cas. D'abord, nous étudions les fluctuations quantiques qui sont présentes dans des collisions entre protons. Celles-ci sont calculables en théorie quantique des champs, et nous allons nous concentrer sur une certaine classe de diagrammes dans ce cadre. Dans un second temps nous allons étudier des fluctuations qui sont présentes dans des collisions entre particules plus lourdes que le proton. Celles-ci sont décrites par les lois quantiques de la nature qui donnent les positions des nucléons dans le noyau, ou bien des fluctuations classiques, d'origine thermique, qui affectent l'évolution hydrodynamique du milieu produit dans une collision. Les fluctuations dans des collisions entre protons peuvent être calculées analytiquement jusqu'à un certain ordre en théorie quantique des champs. Nous allons nous concentrer sur des diagrammes à une boucle, d'une topologie donnée. Ces diagrammes aux boucles donnent des intégrales, qui typiquement sont difficiles à calculer. Nous allons démontrer comment des outils des mathématiques modernes peuvent être utilisés pour faciliter leur évaluation. En particulier, nous allons étudier des relations entre des coupures d'un diagramme, la discontinuité à travers d'un branchement et le coproduit. Nous allons démontrer comment l'intégrale originale peut être reconstruit à partir de l'information contenue dans le coproduit. Nous nous attendons à ce que ces méthodes seront utiles pour le calcul des diagrammes avec des topologies plus difficiles et ainsi aident au calcul des nouvelles amplitudes de diffusion. A la fin, nous étudions les deux types de fluctuations qui ont lieu dans des collisions entre ions lourds. Celles-ci sont liées soit à l'état initial de la matière, soit à l'état intermédiaire produit dans une telle collision. Les fluctuations de l'état initial ont été mesurées expérimentalement, et on voit qu'elles donnent lieu à des non-Gaussianités dans le spectre final de particules. Nous allons démontrer comment ces non-Gaussianités peuvent être comprises comme des positions et des énergies d'interaction aléatoires des 'sources' dans les noyaux entrant en collision. En plus, nous étudions le bruit hydrodynamique dans le milieu produit juste après une collision. Le comportement de ce milieu est celui d'un fluide à basse viscosité. / We study fluctuations that are omnipresent in high-energy particle collisions. These fluctuations can be either of either classical or quantum origin and we will study both. Firstly, we consider the type of quantum fluctuations that arise in proton-proton collisions. These are computable perturbatively in quantum field theory and we will focus on a specific class of diagrams in this set-up. Secondly, we will consider the fluctuations that are present in collisions between nuclei that can be heavier than protons. These are the quantum laws of nature that describe the positions of nucleons within a nucleus, but also the hydrodynamic fluctuations of classical, thermal origin that affect the evolution of the medium produced in heavy-ion collisions. The fluctuations arising in proton-proton collisions can be computed analytically up to a certain order in perturbative quantum field theory. We will focus on one-loop diagrams of a fixed topology. Loop diagrams give rise to integrals that typically are hard to evaluate. We show how modern mathematical methods can be used to ease their computation. We will study the relations among unitarity cuts of a diagram, the discontinuity across the corresponding branch cut and the coproduct. We show how the original integral corresponding to a given diagram can be reconstructed from the information contained in the coproduct. We expect that these methods can be applied to solve more complicated topologies and help in the computation of new amplitudes in the future. Finally, we study the two types of fluctuations arising in heavy-ion collisions. These are related either to the initial state or the intermediate state of matter produced in such collisions. The initial state fluctuations are experimentally observed to give rise to non-Gaussianities in the final-state spectra. We show how these non-Gaussianities can be explained by the random position and interaction energy of `sources' in the colliding nuclei. Furthermore, we investigate the effect of hydrodynamical noise in the evolution of the medium produced just after a collision. This medium behaves like a fluid with a very low viscosity, and so the corresponding evolution is hydrodynamical.

Point of this diploma thesis is analyzing of three railroad crossing controlled by institutions of South-Moravian region, which are chosen by author. For analysis were chosen problematic railroad crossing where happened in last five years traffic accidents with consequences of death. Next criterion of choosing was type of security device. Chosen railroads crossing are representing all types of normally used security devices. That is why was chose railroad crossing with only warning crosses, light security device and last one with light security device with barrier beam. Theoretical part aims on: Basic parameters, dividing, numbering, system of function and marking of railroad crossing. In practical part, there are used mathematical calculations for assessment of safety on chosen railroad crossing and for determination of possibilities of averting a collision of both participants. Corrective measures are made for each railroad crossing taking to account it’s financial conditions. For each railroad crossing is made polygon with help of program Virtual Crash 3.

This thesis describes design of Simulator FM-CW range finders. It is choosing the optimal method of realization and inform about basic properties of continuous working radar. The work includes an analysis of errors in real rangefinder and a numerical estimate of the maximum error in real devices. Contains detailed block diagram of simulator FM-CW range-finder and computer simulation of function generator frequency modulated signal, demodulator. Further work includes the complete construction documents for the preparation and implementation of basic functional verification

This thesis explain today and future technologies of air traffic collision avoidance systems and of its utilizability by unmanned aircraft. The first part describes the UAVs and their categorization. Next part deals with the legislative requirements for their operation. The main part deals with TCAS, ADS-B, FLARM and others that are now used in civil aviation as a key technology to avoid a collision. The last part describes the UAV systems with a focus on the actual sensors used in systems for unmanned aerial vehicles for collision avoidance. The whole work deals with issues of development of collision avoidance systems and summarizes the current technology with a view to its possible application in the near future.

This diploma thesis deals with comparison of experimental and simulated low energy ion scattering spectra. There is a theoretical description of basic principles of low energy ion scattering and description of the spectrometer, which is situated at Institute of physical engineering. It is shown, how to prepare samples using the colloidal gold solution. The deposition of gold nanoparticles is characterized. The usage and meaning of time and energy spectra of low energy ion scattering is explained. There is also shown the effect of channeling in Si substrate.

Thesis deals with comparison of influence of chosen solution method on pre crash movement of vehicles in one simulation program and on differences between calculations for one method in different programs. Compared solution methods are kinematics and dynamics solutions of pre crash movement, compared programs are Virtual CRASH and PC-Crash.

The thesis aims to design and implement an Android application with ability to control the autopilot of the Skydog aircraft model using the wireless telemetry. The application shall receive data from an aircraft model gathered from various installed sensors. These data shall be then processed and corresponding instructions for autopilot shall be sent back. When collision with terrain or obstacle is detected, the application shall send instructions to autopilot to avoid such collision. RRT algorithm is used to find collision-free flight trajectory. Database of known obstacles and digital terrain model are provided to application in formats XML and GeoTIFF respectively.

This work describes path finding among obstacles in 3D space using probabilistic algorithms. Users can create scene in application GUI - define start object, obstacles, goal position and run probabilistic algorithm. The finding path is visualized. The work describes probabilistic algorithm, collision detection and the basics of 3D graphics and shows design and implementation of an application created.