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  • About
  • The Global ETD Search service is a free service for researchers to find electronic theses and dissertations. This service is provided by the Networked Digital Library of Theses and Dissertations.
    Our metadata is collected from universities around the world. If you manage a university/consortium/country archive and want to be added, details can be found on the NDLTD website.
11

Avaliação dos músculos quadriceps femoris de cães diagnosticados com displasia coxofemoral após o uso de plataforma vibratória

Gomes, Mayara Viana Freire January 2019 (has links)
Orientador: Sheila Canevese Rahal / Resumo: O objetivo do presente trabalho foi avaliar os efeitos da Vibração de Corpo Inteiro (VCI) em cães diagnosticados com displasia coxofemoral. Dez cães diagnosticados com displasia coxofemoral foram submetidos a 48 sessões de VCI, por um período de 16 semanas. Foram avaliadas a musculatura dos membros pélvicos utilizando-se a mensuração da circunferência da coxa, ultrassom muscular e eletromiografia de superfície; a claudicação e os sinais de dor por meio de avaliação visual da claudicação, e questionários preenchidos pelos tutores; análise cinética por meio da plataforma de pressão. A circunferência da coxa em ambos os membros pélvicos e a mensuração ultrassonográfica dos muscúlos glutei no membro pélvico esquerdo e quadriceps femoris bilateral mostraram aumento significativo ao longo do tratamento. Os escores da eletromiografia de superfície do músculo vastus lateralis e os questionários de dor ficaram mais próximos dos padrões de normalidade após 48 sessões de VCI. Por outro lado, a avaliação visual de claudicação e a análise cinética não apresentaram diferenças significativas. Foi possível concluir que o emprego da plataforma vibratória em longo período promoveu melhora da hipotrofia muscular dos membros pélvicos e dos sinais de dor em cães com displasia coxofemoral, mesmo que sem alteração na porcentagem da distribuição de peso ou dos sinais de claudicação. / Abstract: This study aimed to evaluate the effects of Whole-body Vibration (WBV) in dogs with hip dysplasia. Ten dogs with hip dysplasia were submitted to 48 sessions of WBV for a period of 16 weeks. The muscles of the hind limbs were evaluated using measurement of thigh circumference, muscle ultrasound and surface electromyography. Lameness and clinical signs of pain were assessed by visual lameness scoring and owner-based questionnaire, respectively. Kinetic analysis was performed by using a pressure-sensitive walkway. Thigh circumference measurements of both hind limbs and ultrasound measurements of the left hind limb glutei muscles and both right and left quadriceps femoris muscles showed a significant increase. Surface electromyography scores of the vastus lateralis muscle and results of pain questionnaires were close to normal patterns after 48 WBV sessions. On the other hand, no significant differences were observed in visual lameness scoring and kinetic analysis. In conclusion, the use of long term WBV caused improvement of muscle atrophy of the hind limbs and the pain signs in dogs with hip dysplasia, even though alterations in percentage of body weight distribution and lameness signs were not observed. / Mestre
12

Considerações sobre o valor restritivo no binômio \'ne... que\' em francês moderno / About the restrictive value in the expressions \'ne... que\' in modern French

Hilst, Teresa Cristina Silveira 03 August 2007 (has links)
As gramáticas normativas, as descritivas e as semânticas assim como outras obras que tratam sobre a negação e sobre a restrição em francês moderno descrevem as expressões \"ne que\", \"sans que\", \"rien que\", \"bien que\", \"autre que\", \"nul autre que\" e \"pour peu que\" em diversos quadros teóricos sem descrever seus valores semânticos, suas naturezas verdadeiras e as funções de \"que\" distinguindo seu valor dos que a ele estão associados. Esse estudo, fundamentado nos princípios da teoria psico-mecânica de Gustave Guillaume (1971, 1973) e expandido pelas considerações semântico gramaticais elaboradas pelo Prof. M. Jacques Ouellet (2004), tenta identificar, compreender e explicar o funcionamento do \"que\" restritivo encontrado nas expressões acima, principalmente na de \"ne... que\". / Prescriptive, descriptive and semantic grammars, as well as other works dealing with negation and restrictions in modern French, describe the expressions ne... que, sans que, rien que, bien que, autre que, nul autre que and pour peu que by a variety of theoretical approaches without describing their semantic values, their very nature and the functions of que. Moreover, these works do not distinguish the value of que from those associated with it. This study, founded on the principles of psico-mechanic theory elaborated by Gustave Guillaume (1971, 1973) and expanded by grammatical semantic studies made by Prof. Jacques Ouellet, M.A. (2004), tries to identify, understand and explain the functioning of restrictive que, found in the above-mentioned expressions, especially in ne... que.
13

Robô autômato para monitoramento de rebanho e medição da forragem do pasto / Automated robot for monitoring and measuring livestock grazing

Pereira, Luiz Arthur Malta 01 February 2010 (has links)
O crescimento do rebanho mundial está acompanhando o crescimento populacional e tem colocado os pastos sobre forte pressão. Uma pastagem sobrecarregada, inicialmente reduz a produtividade dos pastos que sem os devidos cuidados acabam transformando-se em grandes desertos. Esse projeto é inserido nesse contexto e tem por objetivo o desenvolvimento de um robô autômato capaz de se locomover no pasto, monitorar o rebanho e colher dados referentes à forragem do pasto, tendo em vista que o processo atual é rústico, impreciso e prejudica a vegetação. Para que fosse possível o deslocamento do protótipo e a coleta dos dados, vários protótipos foram estudados uma vez que os pastos possuem irregularidades que proporcionam muitos obstáculos ao equipamento eletromecânico. Após a finalização do protótipo, sensores e softwares foram desenvolvidos possibilitando a captação dos dados e o envio dos mesmos ao computador central, este envio foi feito para obter um estudo praticamente em tempo real. Os resultados obtidos comprovam que a implantação de robôs para a monitoração do rebanho e análise do pasto, poderá proporcionar ao produtor um controle concreto sobre a forragem do pasto, além de auxiliar no monitoramento do rebanho, inclusive na proteção contra roubos. / The growth of the cattle is following the global population growth and has put strong pressure on pastures. A pasture overloaded initially reduces the productivity of pastures without due care end up becoming great deserts. This project is inserted into this context and aims to develop a robot automaton able to get around in the pasture, monitor the catle and collect data on the forage grass, considering that the current process is rustic, inaccurate and affect the vegetation. To enable it to shift the prototype and data collection, several prototypes have been studied since the pastures have irregularities that provide many obstacles to electromechanical equipment. After completion of the prototype sensors and software have been developed making it possible to capture data and send them to the central computer, documents were sent back for a study in near real time. The results show that the deployment of robots for monitoring the cattle and analysis of the pasture may provide the producer with a specific control on the grass sward, and assist in monitoring the cattle, including the theft deterrent.
14

Etude des propriétés électromécaniques de semi-conducteurs organiques / Study of electromechanical properties of semiconductors

Pereira, Marco 26 November 2018 (has links)
L’opinion publique est consciente que l’électronique qui nous entoure présente un coût de développement et de production important en plus d’un impact environnemental non négligeable. C’est dans le but de résoudre ces inconvénients que l’électronique organique est étudiée et développée. L’électronique organique a été introduite par la découverte de polymères conducteurs, par les prix Nobel de chimie de l’année 2000, Alan J. Heeger, Alan G. MacDiarmid et Hideki Shirakawa. Depuis lors cette technologie c’est grandement développée, on note ainsi de nos jours la commercialisation des écrans OLED (Organic Light Emitting Diode) mais aussi d’autres composants organiques comme les MEMS (Micro ElectroMechanical System), des systèmes liant l’électronique et la mécanique. Ces MEMS organiques sont de plus en plus étudiés et développés dû à une plus grande flexibilité des semi-conducteurs organiques par rapport à leurs homologues inorganiques. Cependant, même si la recherche sur la mécanique des polymères et l'électronique des semi-conducteurs organiques est avancée, l'interaction électromécanique de ces semi-conducteurs n'est que peu étudiée. Néanmoins, il est nécessaire de comprendre cette interaction pour développer l'électronique flexible de demain. L'objectif de ces travaux est donc d'approfondir les connaissances sur l'interaction électromécanique au sein des semi-conducteurs organiques et de développer des outils/méthodes facilement transposables à l'étude de nouvelles molécules. Pour mieux comprendre l'interaction entre la déformation de la structure des semi-conducteurs et leur réponse électrique, ces derniers sont fabriqués sous forme de monocristaux pour étudier un arrangement moléculaire parfait, sans défauts, dans les trois dimensions de l'espace. Ainsi donc dans un premier temps, l'influence de la structure moléculaire sur la mobilité des charges a été étudiée dans le cas du rubrène. Même s'il est majoritairement avancé que la distance intermoléculaire est la raison de la variation de mobilité dans le rubrène, il s'avère que la réponse électrique dépend en réalité d'un réarrangement moléculaire et de la variation d'une multitude de paramètres intra/intermoléculaires modifiant le couplage électronique entre molécules. Dans un deuxième temps, la réponse électromécanique de transistors, à diélectrique d’air, à base de rubrène a été étudiée. Dans ces systèmes plus complexes, plusieurs paramètres sont modifiés lors de la déformation. A l'aide du facteur de jauge, il est possible de mettre en évidence que la réponse électromécanique de ces transistors dépend majoritairement de la modification mécanique et électrique du contact entre le semi-conducteur et les électrodes. La forte amélioration de la réponse électrique des transistors a permis la fabrication de capteurs de forces capables de mesurer des forces de l'ordre de 230 nN. Finalement, les méthodes développées et utilisées lors de ces travaux ont été utilisées pour amorcer la fabrication et caractérisation électrique de transistors à base de pérovskites hybrides, dans le but d'étudier l'interaction électromécanique de ces matériaux émergents. / The public mind is aware of electronics drawbacks, the costs of development and production are important and the environmental impact can be denied. In order to solve those downsides, the organic electronics is studied and developed. This electronics have been introduced with the discovery of conductive polymers by the Nobel prices of chemistry from the year 2000, Alan J. Heeger, Alan G. MacDiarmid et Hideki Shirakawa. Since then, this technology has been widely developed and nowadays OLED (Organic Light Emitting Diode) screens as well as others devices like MEMS (Micro ElectroMechanical System), systems connecting electronics and mechanics, are commercialized. Those organic MEMS are more and more studied and developed due to a better flexibility of the organic semiconductors compared to the inorganic ones. However, even if the research on the polymer mechanics and semiconductor electronics is advanced, the electromechanical interaction of the organic semiconductors is poorly studied. Nevertheless, it is necessary to understand this interaction in order to develop the flexible electronics of tomorrow. Thus, this work has been focused on investigating the electromechanical interaction inside the organic semiconductors and developing tools/methods usable to study with ease new molecules. To better understand the electromechanical interaction between molecular structure and electrical response, the semiconductors are shaped into single crystals, in order to study a perfect molecular layout, without imperfections, in the three space dimensions. Hence, in the first instance, the influence of the molecular structure on the charge mobility was studied on rubrene. Even if is commonly assumed that the variation of the intermolecular distance causes the mobility changes inside rubrene, it turns out that this electrical variation is due to a reorganization of the molecules and variations of multiples inter/intramolecular parameters which modify the electronic coupling. In the second instance, the electromechanical response of air-gap transistors based on rubrene has been studied. In this more complicated systems, multiple parameters variate during the deflection. With the use of Gauge factor, it is possible to prove that the electromechanical response of those systems depends mainly on the mechanical and electrical modification of the interface electrodes/semiconductor. The high improvement of the electrical response of those air-gap transistors has been used to fabricate pressure sensors capable to detect forces as small as 230 nN. Finally, the methods developed during the previous works have been used to start the synthesis and characterization of hybrid perovskite transistors in order to study the electromechanical interaction of those emerging materials.
15

Alfred Tennyson e o ideal orgânico de civilização / Alfred Tennyson and the civilization organic ideal

Silva, Vanessa da 19 October 2010 (has links)
Made available in DSpace on 2016-04-27T19:30:12Z (GMT). No. of bitstreams: 1 Vanessa da Silva.pdf: 651632 bytes, checksum: 59f39f336366d44a1d8bf1d23d1c102d (MD5) Previous issue date: 2010-10-19 / The present research evidences how the poet Alfred Tennyson, developed the values of the courtesy, surrounded by a conservationist moral, in the constitution of the culture named national culture form the Victorian England. To achieve that, it became necessary for us to understand how Tennyson approached the social organic stage, opposite to the denominated Mechanical Age. The poet, who was laureate by the English royalty, is part of a movement, from England of the XIX century, which goes back to the Middle Ages to try to manipulate a national tradition. This movement, known as medieval revival, contributed to the values building, which resulted in the present society development. Added to this, Alfred Tennyson, was known as the voice of the Victorian England, who has really few historical studies of his poems, what makes him an author who still have a lot of things to be studied. In this essay, we have analyzed the poems The Coming of Arthur, Merlin and Vivien and Merlin and The Gleam, as the main historical documents. We have approached mainly the Merlin character. We have focused sometimes on the analyzing of the character body, and sometimes on the identification which the poet established with the wizard. Through Merlin´s positioning and voice , we have observed the organic society defended by the poet. This (organically) way of observing the society was related to the building of a national culture. This culture, according to Tennyson, should be built and consolidated by people education. The way of educating, to the author, happened through his poems, which carried morality and courtesy ideals / A presente pesquisa evidencia como o poeta Alfred Tennyson cultivou valores de civilidade, envoltos por uma moral conservadora, na formação da chamada cultura nacional da Inglaterra vitoriana. Para tanto, tornou-se necessário entendermos a maneira como Tennyson abordou a organicidade social, em oposição à denominada Era da mecanização . O poeta, que foi laureado pela realeza inglesa, é parte de um movimento, da Inglaterra do século XIX, que retoma a Idade Média para tentar forjar uma tradição nacional. Esse movimento, conhecido como renascimento medieval , contribuiu para a construção de valores, que resultaram na formação da sociedade atual. Somado a isso, Alfred Tennyson, que ficou conhecido como a voz da Inglaterra vitoriana, possui raríssimos estudos históricos sobre seus poemas, o que o torna um autor que ainda tem muito a ser estudado. Neste trabalho, analisamos os poemas The Coming of Arthur, Merlin and Vivien e Merlin and The Gleam, como principais documentos históricos. Abordamos principalmente o personagem Merlin. Algumas vezes focamos na análise do corpo do personagem, outras vezes na identificação que o poeta estabeleceu com o mago. Por meio dos posicionamentos e da voz de Merlin, observamos a sociedade orgânica defendida pelo poeta. Essa maneira (orgânica) de perceber a sociedade estava relacionada com a construção de uma cultura nacional. Cultura que, segundo Tennyson, deveria ser construída e consolidada por meio da educação da população. A maneira de educar, para o autor, dava-se por meio de seus poemas, que carregavam ideais de civilidade e moralidade
16

Etude micro et nanostructurale des défaillances d'architectures microélectroniques en environnement humide / Micro and nano-structural study of failures of microelectronic architectures in severe environment

Adokanou, Kokou 10 March 2017 (has links)
Ce travail de thèse vise à utiliser l’ingénierie des contraintes mécaniques pour améliorer la fiabilité des composants microélectroniques en environnement de chaleur humide afin de développer des technologies non-hermétiques robustes. L’application se fait sur des composants micro-ondes à base d’arséniure de gallium (GaAs) avec des fonctions d’amplification faible bruit (LLA et LNA). Les travaux ont commencé par l’analyse des modes d’endommagement-matériau des MMIC (Monolithic Microwave Integrated Circuit) en milieu sévère et par l’évaluation des contraintes thermomécaniques induites dans les couches minces empilées par l’environnement de test. Ce projet propose deux formes de méthodes pour mettre en évidence l’effet d’une contrainte sur la fiabilité des MMIC dans une configuration de qualification spatiale : une première méthode dite « indirecte » par mise en flexion (250MPa en absolue) et une seconde méthode « directe » par traitement de la couche de passivation en nitrure de silicium (SiNx) via l’implantation d’ions azote (~ -1,2GPa). Un système de mise en contrainte mécanique et un circuit imprimé spécialement conçus pour ces travaux, soumettent par flambement du circuit imprimé le MMIC à des contraintes mécaniques uni-axiales de traction ou de compression. Des bancs de caractérisation par connecteurs ou sous pointes sont utilisés pour mesurer les paramètres statiques des transistors et calibrer les variations de contraintes internes des couches du MMIC flambé grâce aux effets piezorésistifs des semi-conducteurs. Des simulations numériques par Abaqus ® ont permis d’évaluer les contraintes thermomécaniques subies par les MMIC pendant leur préparation au test de vieillissement et ainsi qu’après enrobage de résine « Dam&Fill ». Pour chacune des deux méthodes proposées, directe et indirecte, une campagne de test a été menée dans les conditions de vieillissement les plus sévères (85°C / 85%HR / polarisation inverse de grille). Les résultats obtenus pour le cas indirect par mise en flexion sur 1850h (A) / 2450h (B) ont montré une nette amélioration du temps moyen avant défaillance des composants que ce soit sous contraintes de traction ou de compression. En effet pour les technologies étudiées la présence de contrainte a retardé de façon considérable l’endommagement plus de 80% des MMIC. L’analyse de la défaillance des composants défectueux a été complétée par des simulations éléments finis purement mécaniques sous Abaqus ®. Elle a montré des fissures et des cloques au voisinage des doigts de grille du transistor et des capacités, que nous avons tenté de relier aux pertes de performances statiques et dynamiques. Les résultats avec la méthode directe sur 1000h (A et B) par implantation ionique ont aussi montré une amélioration de la fiabilité pour 100% des composants vieillis. La comparaison de ces résultats avec le cas indirect permet d’identifier la nature et les niveaux de contraintes optimales qu’il faut pour garantir une meilleure fiabilité des MMIC en environnement sévère avec leurs limitations. Une étude du comportement physico-chimique de l’endommagement de l’extrême surface des puces a aussi été effectuée afin de relier les différentes échelles de dégradations entre elles : de la perte de performance jusqu’à la rupture des liaisons chimiques en passant par la microstructure des couches. / This thesis aims at using mechanical stress engineering to improve the reliability of microelectronic components under Temperature-Humidity-Bias testing in order to develop robust packaging technologies for space. The application is done on microware devices based on gallium arsenic (GaAs) with low noise amplifier function (LLA and LNA). We started work by analyzing failure mechanisms of MMIC devices (Monolithic Microwave Integrated Circuit) in severe environment and with the evaluation of thermomechanical induced stresses in stack layers by test temperature. We propose two methods to study the impact of mechanical applied stress on the reliability of microware devices in space qualification: the first method called “indirect” is a bending by buckling way which applies uniaxial stress (250MPa in absolute value) and the second method called “direct” with biaxial stress by treating silicon nitride passivation (SiNx) layer with nitrogen ion implantation (~ -1,2GPa). A system which applies mechanical stress and a printed circuit especially designed for this thesis. Characterization benches with connectors of probes are used to make electrical measurements of transistors and to calibrate the changes of internal stress by piezoresistive effects in semi semiconductors. Numerical simulations have been performed in Abaqus ® to evaluate thermomechanical stresses induced in layers through devices preparation and after plastic encapsulation (Dam&Fill). For each proposed method, aging test was carried out in the most severe conditions (85°C / 85%RH / inverse polarization of the gate). The results of indirect case by buckling on 1850h (A) / 2450h (B) of testing showed a significant improvement of their reliability either in tensile or compressive applied stress. Indeed, for the studied devices the presence of stress delayed considerably damage of more than 80% of aged devices. The failure analysis of failed devices was completed by finite element method simulations in Abaqus ®. We observed and blisters near the gate fingers and capacitors which are linked to the loss of static and dynamic performances. The results in the direct case by surface treatment on 1000h (A and B) of testing also showed the improvement of the reliability for all aged components. The comparison of these results with the indirect case helps to identify the nature and level of optimal applied stress to ensure a better reliability of GaAs devices under THB testing. A study of the physico-chemical behavior of the failures at the surface was also performed in order to make a link between different scales of failure: from the loss of performance until the breaking of chemical bonds through changes of internal stress of the layers.
17

Estabilidade isomérica e ligações de hidrogênio em agregados e líquidos moleculares / Isomeric stabibility and hydrogen bonds in clusters and molecular liquids

Fileti, Thaciana Valentina Malaspina 09 August 2006 (has links)
Neste trabalho, estamos interessados na descrição da estabilidade isomérica de moléculas isoladas e em agregados, assim como em propriedades eletrônicas de agregados moleculares em fase gasosa e estruturas com ligação de hidrogênio em fase líquida. Na primeira investigação, estabilidade isomérica, estudamos a estabilidade relativa dos isômeros "C IND.2v", "C IND.3v" e "C IND.s" da molécula de "AlP IND.3" isolada. Analisamos tanto a estrutura conformacional, quanto a energética dos três isômeros e depois de submetermos as estruturas mais estáveis a cálculos sofisticados de química quântica, extrapolamos os resultados obtidos para as energias dos isômeros ao limite de base completa. Chegamos µa conclusão que o isômero "C IND.3v" é o menos estável dos três investigados, e que os isômeros "C IND.2v" e "C IND.s" apresentam-se como estados quase-degenerados com uma diferença de energia de 'DA ORDEM DE' 1,6 kcal/mol. Ainda pensando na estabilidade isomérica,investigamos os agregados HCN...HOH e "H IND.2"O...HCN, também em fase gasosa. Através de cálculos ab initio obtivemos a estrutura e energética dos dois agregados. Comparamos a energia dos dois agregados depois de obtermos, através de métodos altamente acurados de correlação eletrônica no limite de base completa, e obtivemos que o agregado "H IND.2"O...HCN é o mais estável por 'DA ORDEM DE'1,5 kcal/mol. Na segunda parte de nosso trabalho, investigamos as modificações sofridas em agregados moleculares quando estes são formados em diferentes ambientes, o gasoso e o líquido. Primeiro, analisamos as diferenças nos agregados de pirazina ("N IND.2" "C IND.4" "H IND.4") e água (1:1 e 1:2), através de comparação da estrutura e propriedades eletrônicas obtidas em fase gasosa através de otimização de geometria e em fase líquida, obtidos da simulação computacional Monte Carlo Metropolis. Para as estruturas 1:1 comparamos os resultados nos dois ambientes através da estrutura, energia e momento de dipolo. Para os agregados 1:2 comparamos adicionalmente as contribuições energéticas de muitos corpos e a cooperatividade nos dois ambientes. Todos os resultados nos mostram que os agregados em fase gasosa são cerca de 30% mais estáveis que os agregados do líquido, tanto para os agregados 1:1 quanto para os agregados 1:2. Ao ¯final do trabalho, analisamos as modificações sofridas no espectro eletrônico do formaldeído ("H IND.2"CO) quando este se encontra em ambiente aquoso. Analisamos especificamente o deslocamento da banda de energia referente à transição n- > "'pi'POT.*" deste espectro quando consideramos 1, 2 e 3 moléculas de água solvatando o formaldeído e também quando incluímos toda a primeira camada de solvatação, 18 moléculas de água, todas inclusas explicitamente no cálculo quântico. Adicionalmente, fizemos estimativas para a contribuição da dispersão de London e da relaxação da ligação C=O no deslocamento da banda n- > "'pi'POT.*" do formaldeído solvatado / In this work, we study the isomeric stability of isolated molecules and molecular clusters. We study the change of some electronic properties of molecular clusters in gas and liquid phases. The first application is the relative isomeric stability of isolated AlP3 in C2v, C3v and Cs symmetries. We analyze the conformational structure and the total energy of the three isomers using sophisticated quantum chemistry calculations and using CCSD(T)/cc-pVXZ (X = 2, 3, 4 and 5) level and extrapole to the infinite basis set limit. The locations of the two states on the potential energy hyper-surface are obtained and show that they represent well-defined and stable isomers. We also investigate the HCN...HOH and H2O...HCN clusters in gas phase, using ab initio calculations to obtain the optimized structure of these two molecular clusters. We present a systematic study of the stability of the H2O...HCN and HCN...HOH complexes calculating the binding energy of both systems using the aug-cc-pVXZ basis sets with X=2,3,4 and extending the results to the infinite limit. At the best theoretical level, CCSD(T), the H2O...HCN cluster is more stable than HCN...HOH by ~ 1.5 kcal/mol. In the second part of our work, we investigate the electronic modifications in molecular clusters due to the different environments of these clusters, the gas and the liquid phases. We analyze the pyrazine-water clusters (1:1 and 1:2) obtained in gas and liquid phases and compare the structure and electronic clusters properties. For the 1:1 pyrazine-water clusters we compare the structures, total energy and dipole moments. For the 1:2 pyrazine-water clusters we analyze the many-body contributions to the interaction energy and cooperativity. All results show that the gas phase clusters have interaction energies that are around 30% of the liquid clusters. Finally, we analyze the absorption electronic spectrum of formaldehyde in liquid water. We specifically analyze the shift of the n-pi* electronic transition. We consider 1, 2, 3 and 18 water molecules solvating the formaldehyde, all explicitaly included in the TD-DFT calculations. Additionally, we make estimates of the London dispersion contribution and C=O stretching effects in the shift of the n-pi* electronic transition of formaldehyde in water.
18

Modèle structural, mécanique et pétrophysique de la localisation de la déformation dans les grès poreux(Provence, France) / Structural, mechanical and petrophysical model of strain localization in porous sandstone (Provence, France)

Ballas, Grégory 02 December 2013 (has links)
Cette étude est destinée à améliorer la compréhension des caractéristiques structurales, pétrophysiques et mécaniques des bandes de déformation dans les grès poreux ainsi que de leur rôle potentiel sur la migration ou le piégeage des fluides en milieu réservoir. L'analyse structurale et pétrophysique des réseaux de bandes de Provence montre que leur perméabilité découle principalement de l'intensité de la cataclase dans leur microstructure et des processus diagénétiques qui peuvent s'y localiser avec la profondeur. L'analyse régionale de ces réseaux de bandes souligne l'influence majeure du régime tectonique sur leur distribution, leur organisation et leur perméabilité. Les bandes associées au régime normal (cataclactiques et peu perméables) sont localisées autour des failles cartographiques, tandis que les bandes associées au régime inverse (modérement cataclastiques et perméables) sont distribuées dans toute la région. Les bandes inverses sont fortement cataclastiques et imperméables uniquement autour du chevauchement de Roquemaure ce qui montre le rôle potentiel de la présence de grande faille sur les caractéristiques structurales et pétrophysiques de ces bandes. D'autre part, cette analyse suggère que la granulométrie de l'encaissant peut influencer l'initiation et l'organisation des réseaux. L'analyse mécanique des bandes de déformation a ensuite été réalisée à partir des résultats obtenus en Provence. L'enveloppe de plasticité de ces matériaux est calculée à l'aide d'une solution analytique. Les essais triaxiaux menés sur le grès de la carrière de l'Etang (orange) confirment la forme de ces enveloppes estimées théoriquement. Les essais réalisés sur les sables de Boncavaï (Uchaux) montrent que la taille des grains, le tri et de la compaction dans ces matériaux peu lithifiés influent sur leurs enveloppes de plasticité et la localisation des bandes cataclastiques à faibles profondeurs. Les trajets de contraintes sont estimés pour les phases d'enfouissement et de chargement tectonique (extension et compression) à partir de la relation entre contrainte principale et contraintes secondaires (K0), calibrée à partir de données de forage. Ces résultats sont intégrés à un modèle permettant d'estimer la nature et les caractéristiques structurales des bandes susceptibles de se former dans un contexte géologique donné. Un modèle structural, mécanique et pétrophysique a été établir à partir de ces différents résultats. Ce modèle est calibré à partir des données de perméabilité mesurées sur les bandes de Provence et des résultats du modèle mécanique de localisation cité précédemment. Ce modèle a ensuite été confronté à une synthèse des données de perméabilité disponibles dans la littérature et confirme l'influence des différents paramètres de contrôle pris en compte dans le modèle. Ce modèle a enfin pu être appliqué sur deux sites d'explorations/exploitations d'uranium en réservoir gréseux poreux et validé par les résultats obtenus, en concordance avec les observations de terrain. / This study is designed to improve the understanding of structural, mechanical and petrophysical characteristics of deformation bands in porous sandstone such as their potential influence on fluid storage or migration in reservoir setting. Structural and petrophysical analysis of band networks from Provence show that permeability of band is mainly controlled by the degree of cataclasis and diagenetic processes at depth. Map-scale analysis of band networks underlines the major influence of tectonic regime on band distribution, organization and permeability. Band associated to normal-fault regime (cataclasis and low-permeability) are located around map-sclae-fault whereas band associated to thurst-fault regime (moderate cataclasis and permeability) are pervasively distributed in all the area. Reverse-sense band are cataclastic and low-permeabiilty around the Roquemaure thrust, which show the potential role of large-scale fault on structural and petrophysical characteristics of bands. This analysis also shows the influence of fault propagation on formation of low permeability catacastic bands. This analysis suggests also granulometry as factor controlling organization of band networks. A mechanical analysis of deformation bands is realized based on results from Provence. Yield envelopes of these materials are calculated from analytical solution. Triaxial tests done on sandstone (L'Etang quarry, Orange) confirm the shape of yield envelope theoretically calculated. Triaxial tests done on the poorly-lithified sands (Boncavaï quarry, Uchaux) show grain size, sorting and packing influencing yield envelope and cataclastic band localization at shallow burial depth. Stress paths are calculated for burial and tectonic event (extension and contraction) using the relationship between main stress and secondary stresses (K0) calibrated from well data. These different results are integrated into a model which allows to estimate type and structural characteristics of bands susceptible to form for a known geological setting. A structural, mechanical and petrophysical model is established form these results. This model is calibrated by permeability data from deformation bands of Provence and results from the mechanical model of strain localization. This model is also confronted to a synthesis of permeability data from literature, which confirms the influence of the different controlling parameters integrated to the model. This model is applied for two sites of uranium exploration/exploitation in porous sandstone reservoirs and validated by field observations.
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Modélisation du comportement magnéto-mécanique d’un acier Dual Phase à partir de sa description microstructurale / Magneto-mechanical modelling of Dual Phase steels behaviour

Mballa Mballa, Frederick Sorel 17 December 2013 (has links)
La maîtrise du procédé de fabrication des aciers DP, en particulier le contrôle du cycle thermique est nécessaire afin pour l'obtention de microstructures biphasées et la reproductibilité des caractéristiques mécaniques et des propriétés d'usage attendues. Cette maîtrise passe par la mise en place de moyens de contrôle non destructifs de l'état microstructural en ligne permettant la détection d'irrégularités de la microstructure signes d'irrégularité du traitement thermique. Ce constat a donc conduit ARCELORMITTAL à mettre en place des moyens de contrôle non destructif en ligne permettant le contrôle de l'état microstructural par mesure magnétique. Pour que la mesure magnétique donne des informations précises sur l’état microstructural, une description mathématique fine des liens entre microstructure et propriétés magnétiques en ligne est recherchée. L'objectif fixé est d'arriver à prédire, sinon d'une façon quantitative, au moins d'une façon qualitative fine, la réponse magnétique à divers paramètres des microstructures d'aciers DP industriels dans le cadre d'une simulation micromagnétique magnéto-mécanique. Nous introduisons une formulation statique du couplage magnéto-mécanique basée sur la minimisation d’une fonctionnelle énergétique couplée à la résolution des équations de la mécanique des milieux continus. / The control of the manufacturing process of DP steels, in particular the control of the thermal cycle is necessary for obtaining Dual Phase microstructures and the reproducibility of the mechanical characteristics and the user properties. This control requires an online monitoring of the microstructural state. This allows the detection of irregularities of the microstructure and thus the irregularities of the heat treatment. This report thus led ARCELORMITTAL to set up an online non destructive evaluation of the microstructural state by magnetic measurement. So that magnetic measurement gives accurate informations on the microstructural state, a fine mathematical description of the links between microstructure and the online magnetic properties is required. The main objective is to manage to predict, if not in a quantitative way, at least in a fine qualitative way, the magnetic answer to various parameters of the industrial steel DP microstructures within the framework of a micromagnetism simulation. We introduce a static formalism of magnetomechanical coupling based on the energy functional minimization coupled with the resolution of the continuum mechanic equations.
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Modeling and Simulation of Contacting Flexible Bodies in Multibody Systems

Nakhimovski, Iakov January 2002 (has links)
<p>This thesis summarizes the equations, algorithms and design decisions necessary for dynamic simulation of flexible bodies with moving contacts. The assumed general shape function approach is also presented. The approach is expected to be computationally less expensive than FEM approaches and easier to use than other reduction techniques. Additionally, the described technique enables studies of the residual stress release during grinding of flexible bodies.</p><p>The overall software system design for a flexible multi-body simulation system BEAST is presented and the specifics of the flexible modeling is specially addressed. An industrial application example is also described in the thesis. The application presents some results from a case where the developed system is used for simulation of flexible ring grinding with material removal.</p> / Report code: LiU-TEK-LIC-2002:62.

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