The hands and feet account for half of the complexity of the musculoskeletal system, while the skin of the hand is specialised with many important structures. Much of the subtlety of the mechanism of the hand lies in the soft tissues, and the tactile and proprioceptive sensitivity depends on the large number of mechanoreceptors embedded in specific structures of the soft tissues. This thesis investigates synthetic materials and manufacturing techniques to enable building robots that reproduce the biomechanics and tactile sensitivity of vertebrates – histomimetic robotics. The material and mechanical anatomy of the hand is reviewed, highlighting difficulty of numerical measurement in soft-tissue anatomy, and the predictive nature of descriptive anatomical knowledge. The biomechanical mechanisms of the hand and their support of sensorimotor control are presented. A palate of materials and layup techniques are identified for emulating ligaments, joint surfaces, tendon networks, sheaths, soft matrices, and dermal structures. A method for thermoplastically drawing fine elastic fibres, with liquid metal amalgam cores, for connecting embedded sensors is demonstrated. The performance requirements of skeletal muscles are identified. Two classes of muscle-like bulk MEMS electrostatic actuators are shown theoretically to be capable of meeting these requirements. Means to manufacture them, and their additional application as mechanoreceptors are described. A novel machine perception algorithm is outlined as a solution to the problem of measuring soft tissue anatomy, CAD/CAE/CNC for layup of histomimetic robots, and sensory perception by such robots. The results of the work support the view that histomimetic robotics is a viable approach, and identify a number of areas for further investigation including: polymer modification by graft-polymerisation, automated layup tools, and machine perception.

PROPOSIÇÃO: O objetivo desta pesquisa foi apresentar a magnitude e a constância das forças liberadas por fios ortodônticos de níquel-titânio, usados para a correção dos apinhamentos dentários. Outro objetivo foi comparar os dois meios mais utilizados de avaliação da deflexão elástica destes fios: o teste de 3 pontos e o dispositivo de simulação clínica. MATERIAL E MÉTODOS: Foram avaliados 11 grupos de fios de liga predominantemente de níquel-titânio, calibre 0,014, de 6 marcas diferentes (Abzil convencional e termoativado; GAC convencional e termoativado; Morelli convencional e termoativado; Ormco CuNiTi; Orthometric convencional e termoativado e Orthosource convencional e termoativado), em teste de deflexão elástica, nas deflexões de 0,5; 1; 2 e 3mm. Uma máquina de ensaio universal INSTRON 3342, com célula de carga de 10N foi utilizada e, como protocolo, foi seguida a norma ISO 15.841. Para a análise estatística dos resultados foram utilizados os testes: Kolmogorov-Smirnov, para conferir se havia normalidade; teste t independente, para comparação dos resultados do teste de 3 pontos e dos resultados do dispositivo; e o teste ANOVA seguido do teste de Tukey, para comparações entre grupos. RESULTADOS: Houve diferença estatística entre os resultados gerados pelo teste de 3 pontos e os gerados pelo dispositivo. Por ser o teste indicado pela norma ISO citada, somente os resultados do teste de 3 pontos foram considerados. Todos os fios estudados apresentaram pseudoelasticidade em uma faixa de variação de força de até 40cN. Os grupos Abzil convencional, GAC convencional, Morelli termoativado, Ormco CuNiTi e Orthometric convencional apresentaram força dentro de uma faixa considerada ótima para a indução da movimentação dentária (50cN-100cN). Os fios termoativados liberaram forças mais leves que seus pares convencionais. CONCLUSÕES: Dentre os grupos estudados, aqueles que apresentaram pseudoelasticidade, forças dentro de uma faixa considerada ótima e homogeneidade de amostra, foram os grupos Morelli termoativado e Ormco CuNiTi. / OBJECTIVE: The purpose of this study was to present the magnitude and the constancy of the forces released by nickel-titanium orthodontic wires, used to treat dental crowding. Another purpose was to compare the most usual types of bending tests used to evaluate these wires: 3-point test and clinical simulation device. MATERIAL AND METHODS: Eleven groups of orthodontic nickel-titanium wires, caliber 0.014, of 6 different brands (Abzil conventional and heat-activated; GAC conventional and heat-activated; Morelli conventional and heat-activated; Ormco CuNiTi; Orthometric conventional and heat-activated and Orthosource conventional and heat-activated) were tested by bending test, at deflections of 0.5; 1; 2 and 3mm. A universal testing machine INSTRON 3342 with a 10N load cell was used and, in order to standardize the tests, the ISO 15.841 regulation was followed. Statistical analysis was performed using the subsequent tests: Kolmogorov-Smirnov to verify normality; independent t test to compare the results of the 3-point test and the results derived from the device, and ANOVA followed by the Tukey test for intergroup comparisons. RESULTS: There were significant differences between the results of the 3-point test and the device. As indicated by the ISO regulation, only the results from the 3-point bending test were considered. All groups were classified as pseudoelastic, within a load range of 40cN, at maximum. The groups Abzil conventional, GAC conventional, Morelli heat-activated, Ormco CuNiTi and Orthometric conventional released load within optimum range (50cN-100cN). Heatactivated wires released lower load compared to conventional wire of the same brand. CONCLUSIONS: Among the groups evaluated those that presented pseudoelasticity, load within a range considered optimal, in a homogeneous manner, were Morelli heat-activated and Ormco CuNiTi.

Cette thèse est une étude expérimentale du comportement thermo-mécanique superélastique d'un fil nanocristallin Ti-50.9Ni at.% Ni en alliage à mémoire de forme (SMA) (diamètre 0.5 mm), après subir un cold work (CW). Les AMF sont capables d'induire des changements de température importants lorsqu'ils sont chargés mécaniquement. Ce phénomène est dû à un important couplage thermomécanique présent dans cette transformation de phase solide entre les phases Austénite (A) et Martensite (M).La chaleur latente par unité de masse (ΔH) tout au long de la transformation de phase est l'énergie responsable de cette variation de température. La détermination de ΔH est généralement effectuée par calorimétrie à balayage différentiel (DSC). Cependant, pour les SMA nanocristallins, les résultats DSC obtenus ne sont pas concluants sur la détermination de cette propriété.Dans ce travail, une méthode utilisant la corrélation d'image numérique (DIC) et les mesures de champ thermique (TFM) a été utilisée pour analyser les couplages thermomécaniques lors d'une transformation de phase induite par contrainte. Des champs cinématiques et thermiques ont été acquis lors d'essais de traction superélastiques réalisés sur des fils CW NiTi soumis à différentes températures de traitements thermiques (TTT) allant de 523 à 598 K pendant 30 min. Un tel traitement thermique à basse température favorise une boucle totalement superélastique sans plateau de contrainte et sans déformation de type Lüders. En supposant un modèle thermique uniforme, les sources de chaleur impliquées lors du chargement cyclique ont été estimées. Cette puissance thermique par unité de masse a été comparée à la puissance mécanique et intégrée au fil du temps pour obtenir l'équilibre énergétique. De plus, grâce à une analyse thermodynamique basée sur l'énergie libre de Gibbs, les valeurs de ΔH, ainsi que la fraction de martensite, ont été estimées au cours des transformations de phase A-M directe et inverse M-A. L'analyse des résultats a conduit aux conclusions suivantes: (1) Les puissances et énergies thermiques et mécaniques présentaient une dépendance significative vis-à-vis du TTT. (2) Malgré l'effet important des valeurs du TTT sur les réponses mécaniques et thermiques, les ΔH obtenues étaient très proches pour tous les TTT et dans la même gamme de valeurs fondée dans la littérature pour un alliage Ti-50.9Ni at.% Ni entièrement recuit testé par technique DSC. (3) Pour une deformation donnée, la fraction de martensite augmente avec l'augmentation de TTT. (4) Pour une contrainte imposée de 4,5%, la fraction de martensite augmente de 30% à 40% en augmentant le TTT de 523K à 598K. / This PhD thesis is an experimental study of the thermomechanical superelastic behaviour of a Ti-50.9Ni at.% Ni Shape Memory Alloy (SMA) nanocrystalline thin wire (diameter 0.5 mm), in a Cold Worked (CW) state. SMAs are capable of inducing important temperature change when they are mechanically loaded. This phenomenon is due to an important thermomechanical coupling present in this solid phase transformation between Austenite (A) and Martensite (M) phases. The latent heat per unit of mass (∆H) throughout the phase transformation is the energy responsible of this temperature variation. The determination of ∆H is generally performed by differential scanning calorimetry (DSC). However, for nanocrystalline SMAs, the obtained DSC results are non conclusive on the determination of this property.In this work, a method using digital image correlation (DIC) and thermal field measurements (TFM) was used to analyse the thermomechanical couplings during a stress induced phase transformation (SIPT). Kinematics and thermal full fields were acquired during superelastic tensile tests performed on the CW NiTi wire submitted to different heat treatments temperatures (HTT) ranging from 523 to 598 K during 30 min. Such a heat treatment at low temperature promoted a fully superelastic loop without stress plateau and no Lüders-like deformation. Assuming a uniform thermal model, the heat sources involved during the cyclic loading were estimated. This thermal power per unit of mass was compared to the mechanical one and integrated over the time to get energy balance. Further, through a thermodynamic analysis based on the Gibbs free energy, the values of ∆H, as well as the martensite fraction, were estimated during the forward A-M and reverse M-A phase transformations. The analysis of the results led to the following conclusions: (1) Thermal and mechanical powers and energies presented a significant dependence on the HTT. (2) Despite the strong effect of the values of the HTT on mechanical and thermal responses, the obtained ∆H were very close for all HTT and in the same range of values founded in the literature for a fully annealed Ti-50.9Ni at.% Ni alloy tested via DSC technique. (3) For a given strain, martensite fraction increases with increasing HTT. (4) For an imposed strain of 4.5%, the martensite fraction increases from 30% to 40% when increasing HTT from 523K to 598K.

Cette thèse porte sur la fonctionnalisation de fils en acier inoxydable via des revêtements colorés base titane, élaborés par pulvérisation cathodique avec un magnétron cylindrique. Ce travail s’intéresse à la caractérisation chimique, morpho-structurale et à l’évaluation de la durabilité mécano-chimique des fils revêtus.Premièrement, la vitesse de dépôt et la composition chimique des films sont déterminées dans des conditions statiques. Les hétérogénéités du plasma dans la cathode sont démontrées et reliées aux paramètres tels que la puissance, la pression et la polarisation d’anodes auxiliaires.Les dépôts monocouches de Ti, TiN et TiOx sont ensuite élaborés en continu. La relation entre la couleur du TiN et sa composition chimique est établie. La couleur dorée est obtenue pour des films stœchiométriques contenant peu d’oxygène (< 5 %at.). Les microstructures sont caractérisées par MET-ASTAR et des cartographies d’orientation sont dressées à l’échelle nanométrique. Tandis que les dépôts de TiN sont colonnaires avec une texturation selon <111>, les grains des films de Ti sont plutôt équiaxes et orientés selon <0001>. Pour une température d’élaboration de 650 °C, les éléments du substrat diffusent dans les films et mènent à la formation de phases de Laves. Les dépôts de TiOx, élaborés en mode métallique, présentent des couleurs d’interférence et une composition proche du monoxyde. Les surfaces revêtues de TiN ont une résistance à la corrosion élevée semblable à l’acier inoxydable 316L, contrairement aux fils revêtus de Ti et TiOx. La ténacité et l’énergie d’adhérence des revêtements sont déterminées par traction in-situ sous MEB : Ti et TiN sont particulièrement adhérents au substrat contrairement à TiOx.Enfin, les dépôts sont architecturés avec l’ajout d’un dépôt de titane entre le substrat et le revêtement céramique. Ainsi, l’adhérence du film Ti-TiOx est largement augmentée par rapport au monocouche TiOx (5 à 200 J/m2). Enfin, les études microstructurales et électrochimiques montrent qu’un paramètre clef de la résistance à la corrosion est la présence de porosité ouverte dans les revêtements. / This thesis treats of the functionalization of stainless steel wires with colored Ti-based coatings, grown by PVD with a cylindrical magnetron, their chemical and morpho-structural characterization, and the evaluation of the chemico-mechanical durability of the coated wires.First, the deposition rate and the chemical composition of the films are determined under static conditions. Cathode plasma heterogeneities are demonstrated and related to parameters such as power, pressure and polarization of auxiliary anodes.Then, Ti, TiN and TiOx monolayer coatings are grown continuously. The relationship between the color of TiN and its chemical composition is established and golden color is obtained for stoichiometric films with low oxygen content (<5% at.). Microstructures are studied with TEM-ASTAR and orientation maps are obtained with a nanometric resolution. While TiN coatings are columnar with <111> texture, Ti grains are rather equiaxed and <0001> oriented. With a 650 ° C substrate temperature, substrate elements diffuse into the films which results in Laves phase formation. TiOx is grown in metallic mode, presents interference colors and a composition close to monoxide. TiN coated surfaces display high corrosion resistance similar to 316L stainless steel, unlike Ti and TiOx coated wires. The toughness and the adhesion energy of the coatings are determined by SEM in-situ tensile tests: Ti and TiN are particularly adherent to the substrate in contrast to TiOx.Finally, coatings are architectured with the addition of a titanium interlayer between the substrate and the ceramic coating. Thus, Ti-TiOx film adhesion is greatly superior compared to the TiOx monolayer (5 to 200 J/m2). Finally, microstructural and electrochemical studies show that a key parameter of corrosion resistance is the presence of open porosity in the coatings.

CoordenaÃÃo de AperfeÃoamento de Pessoal de NÃvel Superior / Os avanÃos nas tÃcnicas de crescimento tornaram possÃvel a fabricaÃÃo de estruturas semicondutoras quase-unidimensionais em escalas nanomÃtricas, chamadas pontos, fios, poÃos e anÃis quÃnticos. Interesse nessas estruturas tem crescido consideravelmente, nÃo sà devido Ãs suas possÃveis aplicaÃÃes em dispositivos eletrÃnicos e à sua manipulaÃÃo quÃmica fÃcil, mas tambÃm porque eles oferecem a possibilidade de explorar experimentalmente vÃrios aspectos de confinamento quÃntico, espalhamento e fenÃmenos de interferÃncia. Em particular, neste trabalho, investigamos as propriedades eletrÃnicas e de transporte em poÃos quÃnticos, fios e anÃis, cujas dimensÃes podem ser alcanÃados experimentalmente. Para isto, resolvemos a equaÃÃo de SchrÃdinger dependente do tempo utilizando o mÃtodo Split-operator em duas dimensÃes. Nesta tese, abordamos quatro trabalhos, sendo o primeiro uma analogia ao Paradoxo de Braess para um sistema mesoscÃpico. Para isso, utilizamos um anel quÃntico com um canal adicional na regiÃo central, alinhado com os canais de entrada e saÃda. Este canal extra faz o papel do caminho adicional em uma rede de trÃfego na teoria dos jogos, similar ao caso do paradoxo de Braess. Calculamos as auto-energias e a evoluÃÃo temporal para o anel quÃntico. Surpreendentemente, o coeficiente de transmissÃo para algumas larguras do canal extra diminuiu, semelhante ao que acontece com redes de trÃfego, onde a presenÃa de uma via extra nÃo necessariamente melhora o fluxo total. Com a analise dos resultados obtidos, foi possÃvel determinar que neste sistema o paradoxo ocorre devido a efeitos de interferÃncia e de espalhamento quÃntico. No segundo trabalho, foi feita uma extensÃo do primeiro, (i) aplicando-se um campo magnÃtico, onde foi possÃvel obter o efeito Aharonov-Bohm para pequenos valores do canal extra e controlar efeitos de interferÃncia responsÃveis pelo paradoxo mencionado, e (ii) fazendo tambÃm a aplicaÃÃo de um potencial que simula a ponta de um microscÃpio de forÃa atÃmica (AFM) interagindo com a amostra - este potencial à repulsivo e simula um possÃvel fechamento do caminho em que o pacote de onda se propaga. Assim, neste trabalho, realizamos uma contra-prova do primeiro, onde observamos que com o posicionamento da ponta do AFM sobre canal extra, se diminui o efeito de reduÃÃo de corrente devido ao paradoxo de Braess. No terceiro trabalho, realizamos uma anÃlise de tunelamento entre dois fios quÃnticos separados por uma certa distÃncia e calculamos qual a menor distÃncia para qual ocorre tunelamento significativo nesse sistema eletrÃnico. Este trabalho à de fundamental importÃncia para o manufaturamento de dispositivos nanoestruturados, porque nos permite investigar qual a distÃncia mÃnima para a construÃÃo de um circuito eletrÃnico sem que haja interferÃncias nas transmissÃes das informaÃÃes. No quarto e Ãltimo trabalho desta tese, investigamos a energia de ligaÃÃo do elÃtron-impureza em GaN/HfO2 para um poÃo quÃntico. Consideramos simultaneamente as contribuiÃÃes de todas as interaÃÃes das auto-energias devido ao descasamento das constantes dielÃtricas entre os materiais. Foram estudados poÃos largos e estreitos, comparando os resultados para diferentes posiÃÃes da impureza e a contribuiÃÃo da auto-energia para o sistema. / Advances in growth techniques have made possible the fabrication of quasi one-dimensional semiconductor structures on nanometric scales, called quantum dots, wires, wells and rings. Interest in these structures has grown considerably not only due to their possible applications in electronic devices and to their easy chemical manipulation, but also because they offer the possibility of experimentally exploring several aspects of quantum confinement, scattering and interference phenomena. In particular, in this work, we investigate the electronic and transport properties in quantum wells, wires and rings, whose dimensions can be achieved experimentally. For this purpose, we solve the time-dependent SchrÃdinger equation using the split-operator method in two dimensions. We address four different problems: in the first one, the electronic transport properties of a mesoscopic branched out quantum ring are discussed in analogy to the Braess Paradox of game theory, which, in simple words, states that adding an extra path to a traffic network does not necessarily improves its overall flow. In this case, we consider a quantum ringindex{Quantum ring} with an extra channel in its central region, aligned with the input and output leads. This extra channel plays the role of an additional path in a similar way as the extra roads in the classical Braess paradox. Our results show that in this system, surprisingly the transmission coefficient decreases for some values of the extra channel width, similarly to the case of traffic networks in the original Braess problem. We demonstrate that such transmission reduction in our case originates from both quantum scattering and interference effects, and is closely related to recent experimental results in a similar mesoscopic system. In the second work of this thesis, we extend the first system by considering different ring geometries, and by investigating the effects of an external perpendicular magnetic field and of obstructions to the electrons pathways on the transport properties of the system. For narrow widths of the extra channel, it is possible to observe Aharonov-Bohm oscillations in the transmission probability. More importantly, the Aharonov-Bohm phase acquired by the wave function in the presence of the magnetic field allows one to verify in which situations the transmission reduction induced by the extra channel is purely due to interference. We simulate a possible closure of one of the paths by applying a local electrostatic potential, which can be seen as a model for the charged tip of an atomic force microscope (AFM). We show that positioning the AFM tip in the extra channel suppresses the transmission reduction due to the Braess paradox, thus demonstrating that closing the extra path improves the overall transport properties of the system. In the third work, we analyze the tunneling of wave packets between two semiconductor quantum wires separated by a short distance. We investigate the smallest distance at which a significant tunneling between the semiconduting wires still occur. This work is of fundamental importantance for the manufacturing of future nanostructured devices, since it provides information on the minimum reasonable distances between the electron channels in miniaturized electronic circuits, where quantum tunnelling and interference effects will start to play a major role. In the last work of this thesis, we investigate the binding energy of the electron-impurity pair in a GaN/HfO2 quantum well. We consider simultaneously the contributions of all interactions in the self-energy due to the dielectric constant mismatch between materials. We investigate the electron-impurity bound states in quantum wells of several widths, and compared the results for different impurity positions.

The constant trend of device miniaturization along with ever-growing list of unusual behaviour of nanoscale materials has fuelled the recent research in fabrication and applications of ultrathin (~2 nm diameter) nanowires. Although semiconductor nanowires of this dimension is well-researched, molecular-scale single-crystalline metal nanowires have not been addressed in details. Such single crystalline Au nanowires are formed by oriented attachment of Au nanoparticles along [111] direction. A very low concentration of extended defects in these wires result in a high electrical conductivity, making them ideal for nanoscale interconnects. Other metal nanowires, e.g. Ag and Cu, have very low absorption co-efficient useful for fabrication of transparent conducting films. On the other hand, because of the reduced dimensions, there exists a tantalizing possibility of dominating quantum effects leading to their application in sensing and actuation. Also, speaking in terms of atomic structure, these systems suffer from intense surface stress, and the atomistic picture can be drastically different from bulk. Thus, although a myriad of applications are possible with ultrathin metal nanowires, a rigorous systematic knowledge of their atomic and electronic structure is not yet available. This thesis is the first one to model such computationally demanding systems with emphasis on their possible applications. In this thesis, we have explored various structural and electronic aspects of one-dimensional ultrathin nanowires with ab initio density functional theory coupled with experiments. The merit of Au nanowires has been tested as nanoscale interconnects. From atomistic point of view, these FCC Au nanowires exhibit an intriguing relaxation mechanism, which has been explored by both theory and experiment. The primary factor governing the relaxation mechanism was found to be the anisotropic surface stress of the bounding facets, and it is extended to explain the relaxation of other metallic nanowires. Our studies suggest that AuNWs of this dimension show semiconductor-like sensitivity towards small chemical analytes and can be used as nanoscale sensors. Also, we have found that further reducing the diameter of the Au-nanowires leads to opening of a band gap.

Le mécanisme de la transition préarc-arc dans les éléments de coupure du type fusible est encore mal connu à ce jour. La compréhension du phénomène requiert encore de nombreuses données fondamentales tels que la température ou la densité des vapeurs métalliques créées. Des hypothèses sont avancées pour expliquer la différence du temps de préarc prévue par les modélisations effectuées au sein du LAEPT avec celui constaté lors des expérimentations menées dans ce même laboratoire. Cet ouvrage tente de les vérifier par une approche expérimentale menées sur des fils explosés et des rubans fusibles. L’étude expérimentale est complétée par une recherche bibliographique sur les fils explosés. Ce complément propose de nouvelles pistes d’investigation pour la compréhension de l’amorçage de l’arc électrique sur les rubans fusibles. Enfin, toutes les méthodes de diagnostic et les grandeurs obtenues dans les tests les plus représentatifs sont données en fin d’ouvrage. / Transition between prearcing and arcing stage remains not well known. Several fundamental data are needed as temperature or density of metalic vapour created to better understand the phenomenon. Hypothesis are mentioned to explain the difference of prearc time between modelisations and experiences that have been made in LAEPT. This study try to verificate them among experiences made on exploding wire and fuses ribbon. Experimental study is completed by a bibliographic review on exploding wires. This review permits to show other lines of investigation to understand the transition between prearcing and arcing stage on fuses ribbon. Finally, all the methods of diagnostic and the results obtained with the most representative tests are given at the end of the thesis.

PROPOSIÇÃO: O objetivo desta pesquisa foi apresentar a magnitude e a constância das forças liberadas por fios ortodônticos de níquel-titânio, usados para a correção dos apinhamentos dentários. Outro objetivo foi comparar os dois meios mais utilizados de avaliação da deflexão elástica destes fios: o teste de 3 pontos e o dispositivo de simulação clínica. MATERIAL E MÉTODOS: Foram avaliados 11 grupos de fios de liga predominantemente de níquel-titânio, calibre 0,014, de 6 marcas diferentes (Abzil convencional e termoativado; GAC convencional e termoativado; Morelli convencional e termoativado; Ormco CuNiTi; Orthometric convencional e termoativado e Orthosource convencional e termoativado), em teste de deflexão elástica, nas deflexões de 0,5; 1; 2 e 3mm. Uma máquina de ensaio universal INSTRON 3342, com célula de carga de 10N foi utilizada e, como protocolo, foi seguida a norma ISO 15.841. Para a análise estatística dos resultados foram utilizados os testes: Kolmogorov-Smirnov, para conferir se havia normalidade; teste t independente, para comparação dos resultados do teste de 3 pontos e dos resultados do dispositivo; e o teste ANOVA seguido do teste de Tukey, para comparações entre grupos. RESULTADOS: Houve diferença estatística entre os resultados gerados pelo teste de 3 pontos e os gerados pelo dispositivo. Por ser o teste indicado pela norma ISO citada, somente os resultados do teste de 3 pontos foram considerados. Todos os fios estudados apresentaram pseudoelasticidade em uma faixa de variação de força de até 40cN. Os grupos Abzil convencional, GAC convencional, Morelli termoativado, Ormco CuNiTi e Orthometric convencional apresentaram força dentro de uma faixa considerada ótima para a indução da movimentação dentária (50cN-100cN). Os fios termoativados liberaram forças mais leves que seus pares convencionais. CONCLUSÕES: Dentre os grupos estudados, aqueles que apresentaram pseudoelasticidade, forças dentro de uma faixa considerada ótima e homogeneidade de amostra, foram os grupos Morelli termoativado e Ormco CuNiTi. / OBJECTIVE: The purpose of this study was to present the magnitude and the constancy of the forces released by nickel-titanium orthodontic wires, used to treat dental crowding. Another purpose was to compare the most usual types of bending tests used to evaluate these wires: 3-point test and clinical simulation device. MATERIAL AND METHODS: Eleven groups of orthodontic nickel-titanium wires, caliber 0.014, of 6 different brands (Abzil conventional and heat-activated; GAC conventional and heat-activated; Morelli conventional and heat-activated; Ormco CuNiTi; Orthometric conventional and heat-activated and Orthosource conventional and heat-activated) were tested by bending test, at deflections of 0.5; 1; 2 and 3mm. A universal testing machine INSTRON 3342 with a 10N load cell was used and, in order to standardize the tests, the ISO 15.841 regulation was followed. Statistical analysis was performed using the subsequent tests: Kolmogorov-Smirnov to verify normality; independent t test to compare the results of the 3-point test and the results derived from the device, and ANOVA followed by the Tukey test for intergroup comparisons. RESULTS: There were significant differences between the results of the 3-point test and the device. As indicated by the ISO regulation, only the results from the 3-point bending test were considered. All groups were classified as pseudoelastic, within a load range of 40cN, at maximum. The groups Abzil conventional, GAC conventional, Morelli heat-activated, Ormco CuNiTi and Orthometric conventional released load within optimum range (50cN-100cN). Heatactivated wires released lower load compared to conventional wire of the same brand. CONCLUSIONS: Among the groups evaluated those that presented pseudoelasticity, load within a range considered optimal, in a homogeneous manner, were Morelli heat-activated and Ormco CuNiTi.

Quelques particularités des polaritons, (quasi) particules-modes normaux du système d'excitons en interaction avec des photons en régime de couplage dit fort, sont théoriquement et numériquement analysés dans les systèmes de dimensionnalité basse. Dans le chapitre 1 est donné un bref aperçu en structure 0D, 1D et 2D semi-conductrices avec une introduction générale au domaine des polaritons. Le chapitre 2 est consacré aux micro / nano fils. Les modes de galerie sifflants sont étudiés dans le cas général d'un système anisotrope ainsi que la formation des polaritons dans les fils de ZnO. Le modèle théorique est comparé à l’expérience. Dans le chapitre 3 la dynamique de type Josephson pour les condensats de Bose-Einstein des polaritons est analysé en prenant en compte le pseudospin. Le chapitre 4 commence par une introduction à l'effet Aharonov-Bohm, qui est la phase géométrique la plus connue. Une autre phase géométrique - phase de Berry, qui existe pour une large classe de systèmes en évolution adiabatique sur un contour fermé, est l'objet principal de cette section. Nous avons examiné une proposition d'un interféromètre en anneau avec exciton-polaritons basé sur l'effet phase de Berry. Le chapitre 5 concerne un système 0D: un exciton d’une boîte quantique fortement couplé avec des photons dans une cavité optique. Nous avons discuté de la possibilité d'obtenir des états intriqués à partir d'une boîte quantique embarquée dans un cristal photonique en régime polaritonique. / Some special features of polaritons, quasi-particles being normal modes of system of excitons interacting with photons in so called strong coupling regime, are theoretically and numerically analyze in low dimensional systems. In Chapter 1 is given a brief overview of 0D, 1D and 2D semiconductor structures with a general introduction to the polariton field. Chapter 2 is devoted to micro / nano wires. The so called whispering gallery modes are studied in the general case of an anisotropic systems as well as polariton formation in ZnO wires. Theoretical model is compared with an experiment. In the Chapter 3 Josephson type dynamics with Bose-Einstein condensates of polaritons is analyzed taking into account pseudospin degree of freedom. Chapter 4 start with an introduction to Aharonov-Bohm effect, as the best known represent of geometrical phases. An another geometrical phase – Berry phase, occurring for a wide class of systems performing adiabatic motion on a closed ring, is main subject of this section. We considered one proposition for an exciton polariton ring interferometer based on Berry phase effect. Chapter 5 concerns one 0D system : strongly coupled quantum dot exciton to cavity photon. We have discussed possibility of obtaining entangled states from a quantum dot embedded in a photonic crystal in polariton regime.

Polyzyklische organische Moleküle und deren Derivate sind eine Klasse von Nanostrukturen, die wegen diverser möglicher Anwendungen in molekularer und organischer Elektronik viel Aufmerksamkeit in der Wissenschaft erregt haben. Um ihre einzigartigen Eigenschaften in vollem Umfang auszunutzen, muss man das Verhalten von molekularen Systemen auf der Nanoskala verstehen und eine Reihe von Herstellungsverfahren entwickeln. In dieser Arbeit werden molekulare Nanostrukturen durch den Bottom-Up-Ansatz der Oberflächensynthese erzeugt. Als Untersuchungsmethode gilt Rastertunnelmikroskopie (STM) bei tiefen Temperaturen und im Ultrahochvakuum als Werkzeug der Wahl. Drei verschiedene molekulare Systeme werden ausführlich erforscht, mit dem Ziel organische Nanostrukturen mit gewünschten Eigenschaften und atomarer Präzision zu erzeugen. Im ersten Teil dieser Arbeit wird eine Cyclodehydrierungsreaktion erfolgreich für die Synthese von asymmetrischen Starphen verwendet. Es wird dann gezeigt, dass dieses Molekül als unimolekulares NAND-Logikgatter fungieren kann. Dabei wird die Positionierungsänderung der elektronischen Resonanz nach der Zufügung einzelner Goldatome an die Inputs des Moleküls gemessen. Eine Kombination aus atomarer und molekularer Lateralmanipulation mithilfe der Spitze des Rastertunnelmikroskops sowie Rastertunnelspektroskopie wird verwendet, um dieses Verhalten zu demonstrieren. Die steuerbare Verschiebung von molekularen Resonanzen entsteht wegen der asymmetrischen Form des Starphens und wurde theoretisch vorhergesagt. Molekulare Drähte werden im zweiten Teil der Arbeit durch die oberflächenassistierte Ullmann-Kupplung hergestellt. Ihr Baustein besteht aus abwechselnden Donor- und Akzeptorgruppen und wurde speziell vorgesehen, um leitfähige flexible molekulare Drähte herzustellen. Die Leitfähigkeit wird durch Ziehen einzelner Drähten von der Oberflächen mit der STM-Spitze gemessen. Theoretische Berechnungen der komplexen Bandstruktur der molekularen Drähte bestätigen die experimentellen Ergebnisse und unterstützen dabei die Wichtigkeit der Balance zwischen Akzeptor- und Donorgruppen für die Leitfähigkeit der Drähte. Basierend auf diesen Resultaten werden neue Strukturen zur Herstellung vorgeschlagen. Der letzte Teil befasst sich schließlich mit einer unimolekularen Reaktion, die zur Erzeugung einer anomalen Kombination von Pentagon- und Heptagonringen in einem einzelnen organischen Molekül führt. Solche 5-7-Einheiten sind analog zu Stone-Wales-Defekten in Graphen und können elektronische Eigenschaften beachtlich ändern. Die exakte intramolekulare Struktur der Reaktionsprodukte wird durch hochauflösende STM-Bildgebung mit funktionalisierter Spitze eindeutig zugeordnet und zusätzlich durch DFT-Rechnungen bestätigt. / Polycyclic organic molecules and their derivatives present the class of nanostructures that are currently in the focus of scientific research due to their perspectives for the versatile applications in molecular and organic electronics. To exploit their unique properties to full extent, one has to understand the behavior of molecular systems at the nanoscale and to develop a set of fabrication methods. In this work, molecular nanostructures are fabricated using the bottom-up on-surface synthesis approach, which allows precision of the desired products and control over their properties through careful precursors design. To study the reaction flow and the properties of the formed structures, scanning tunneling microscopy (STM) at low temperature and in ultra-high vacuum is the tool of choice. In this work, three molecular systems are studied in detail, with the focus of fabricating atomically precise nanostructures with tailored properties. A cyclodehydrogenation reaction is successfully applied to synthesize an asymmetric starphene molecule in the first part of the work. It is then shown that this molecule can function as a unimolecular NAND logic gate with its response to the attached single Au atoms measured as the position of the electronic resonance. A combination of the atomic and molecular lateral manipulation with the STM tip and scanning tunneling spectroscopy (STS) is used to demonstrate this behavior. The effect of the controllable shifting of the molecular resonances is due to the asymmetric shape of the starphene molecule and was initially predicted theoretically. More complex structures, molecular wires, are presented in the second part of the work by using the surface-assisted Ullmann coupling reaction. The monomer unit, consisting of the alternant donor and acceptor parts, was specifically designed to achieve highly-conductive flexible molecular wires. The conductance is measured by pulling the single wires with the STM tip off the surface. Theoretical calculations of the complex band structure of the wires confirm the obtained results and support the discussion of the importance of the balance between the strength of acceptor and donor units for the conductance of the resultant wires. Based on this, some model structures are proposed. Finally, the last part deals with a unimolecular reaction to create an anomalous combination of pentagon and heptagon rings in a single organic molecule. Such 5-7 moieties are analogous to the Stone-Wales defects in graphene and may significantly alter the electronic properties. The precise intramolecular structure of the reaction products is unambiguously assigned by high-resolution STM imaging with functionalized tips and further confirmed by DFT calculations.