Made available in DSpace on 2016-03-15T19:38:03Z (GMT). No. of bitstreams: 1 RONALDO DE CASTRO CORREA.pdf: 1467426 bytes, checksum: a5e2b011297c7075c278d2dfd4502c98 (MD5) Previous issue date: 2015-11-23 / Cellular automata are discrete dynamic systems that by local action rules, even very simple, can present arbitrarily complex global processing. The reversibility is a property that a few rules have and guarantees the existence of an inverse rule capable of reversing the temporal evolution of the original rule. For a rule be reversible all possible configurations of lattices must have only one predecessor, i.e., only one pre-image. In this context, it had been proposed in the literature the concept of rules may be characterized by its relative partial reversibility, that is, rules can be more or less reversible than others. This notion is represented by the rule pre-image pattern, which is composed of the quantities ordered pre-images of all the possible configurations of lattices up to a maximum size. To sort the rules of the reversible for less reversible, or group them if they had the same reversibility was made lexicographical ordering patterns of pre-images. This paper reviewed the original definition, based on elementary cellular automata, although the results are applicable to any other one-dimensional family rules. Thus, proposed it was a measure of the reversibility level of a rule, also based on its default pre-image, but now from the probability of correctly reverse each possible configurations of lattices up to a given maximum size. This measure allows us to analyze the degree of reversibility of a rule in absolute terms and not relative to other rules. Thus, it becomes possible to individually analyze the reversibility levels of rules, making it possible to infer the degree of rules reversible for lattices arbitrarily larger than calculated, in particular, identifying rules that tend to be reversible when the size of the lattices tends to infinity. It was also possible to define an operation that, from their own state transitions rule, allows to obtain partially rules that have the same level of reversibility without the need of standard calculating preview image, which is extremely expensive computationally. / Autômatos celulares são sistemas dinâmicos discretos que, por meio de regras de ação local, até mesmo muito simples, podem apresentar processamento global arbitrariamente complexo. A reversibilidade é uma propriedade que poucas regras possuem e que garante a existência de uma regra inversa capaz de reverter a evolução temporal da regra original. Para uma regra ser reversível, todas as configurações possíveis de reticulado devem possuir somente uma única configuração antecessora, ou seja, uma única pré-imagem. Nesse contexto, havia sido proposto na literatura o conceito de regras poderem ser caracterizadas por sua reversibilidade parcial relativa, ou seja, regras poderem ser mais ou menos reversíveis que outras. Essa noção é representada por meio do padrão de pré-imagem da regra, que é composto pelas quantidades ordenadas de pré-imagens de todas as configurações possíveis de reticulado, até um tamanho máximo. Para classificar as regras das mais reversíveis para as menos reversíveis, ou agrupá-las caso possuíssem a mesma reversibilidade, era feita a ordenação lexicográfica dos padrões de pré-imagens. Este trabalho reavaliou a definição original, com base nos autômatos celulares elementares, apesar de os resultados serem aplicáveis a qualquer outra família unidimensional de regras. Assim, foi proposta uma grandeza que representa o nível de reversibilidade de uma regra, também baseada em seu padrão de pré-imagem, mas agora a partir da probabilidade de reverter corretamente cada configuração possível de reticulado, até um tamanho máximo dado. Tal medida permite analisar o nível de reversibilidade de uma regra em termos absolutos, e não mais relativamente a outras regras. Dessa forma, torna-se possível analisar individualmente os níveis de reversibilidade das regras, o que possibilitou inferir o nível de reversibilidade de regras para reticulados arbitrariamente maiores que os calculados, em particular, identificando regras que tendem a ser reversíveis conforme o tamanho do reticulado tende a infinito. Também foi possível definir uma operação que, a partir das próprias transições de estado de uma regra, permite obter parcialmente as regras que possuem o mesmo nível de reversibilidade, sem a necessidade do cálculo do padrão de pré-imagem, que é extremamente custoso computacionalmente.

Foram medidas funções de excitação para a fusão completa dos sistemas 16O+46,50Ti em energias abaixo e em torno da barreira Coulombiana. A seção de choque de fusão foi obtida utilizando-se os métodos da espectroscopia em linha e fora da linha através da soma das seções de choque dos canais de decaimento do núcleo composto formado, observados experimen- talmente. As vantagens e limitações do método são discutidas em detalhes. As funções de excitação da fusão dos sistemas citados foram analisados utilizando-se modelos semiclássicos de penetração de barreira. Através desta análise determinamos o raio e a altura da barreira de fusão para estes sistemas. Os valores obtidos concordam com valores da literatura na mesma região de massa. A seção de choque de fusão calculada pelo modelo de penetração de barreira unidimensional utilizando potenciais que descrevem a interação entre íons pesados, é subestimada em energias abaixo da barreira Coulombiana. A introdução da vibração de ponto zero da superfície dos núcleos interagentes, apesar de produzir um aumento da seção de choque em energias sub- Coulombianas, não consegue reproduzir os dados de maneira satisfatória, pois prevê uma diferença isotópica nas funções de excitação que não e observada experimentalmente. As previsões do modelo estatístico para o decaimento do núcleo composto (programa CASCA- DE) apresentam uma concordância satisfatória para os canais de decaimento mais intensos. / Excitation functions for complete fusion of the systems 16O + 46,50Ti, with energies near and below the Coulomb barrier, were measured. With the use of the in-beam and out of beam spectroscopy, the formation of the compound nucleus was experimentally detected. The fusi- on cross section was then attained by the sum of all observed compound nucleus decay chan- nels. The limitation and advantages of measurements methods are discussed. Theoretical analysis of the experimental results using the semi-classical barrier penetration model allowed us to obtain the fusion barrier height and radius for the studied systems. These values are in good agreement with others reported for this mass range. Using the unidimensionaL barrier penetration model with different nuclear potentials, descri- bing the heavy ion interactions gave theoretical fusion cross section values systematically smaller than our measured values in the energy region below the Coulomb barrier. The introduction of the nuclear surface zero point vibrations enhances the theoreticaL fusion cross sections in the sub-Coulomb region, but simultaneously introduces an isotopic difference in the fusion excitation functions that is not observed experimentally. The statistical model predictions for the compound nucleus decay (calculated by the CASCADE program) show reasonable agreement for the more intense decay channels.

Consideramos os efeitos de desordem ou aperiodicidade sobre três sistemas magnéticos distintos. Inicialmente, apresentamos um modelo fenomenológico para descrever a dependência térmica da magnetização remanente induzida por diluição numa classe de antiferromagnetos quase-unidimensionais. O modelo trata exatamente as correlações ao longo da direção dominante, levando em conta as demais interações por meio de um campo efetivo. Em seguida, utilizamos uma aproximação autoconsistente de Bethe-Peierls para avaliar os efeitos de um campo cristalino aleatório sobre os diagramas de fases de um modelo de Ising de spins mistos. Mostramos que a desordem é capaz de modificar a natureza dos pontos multicríticos existentes no limite uniforme do modelo. Finalmente, estudamos os efeitos de interações aleatórias ou aperiódicas sobre o comportamento da cadeia XX quântica em baixas temperaturas, através de câlculos numéricos baseados no mapeamento do sistema em um modelo de férmions livres. Apontamos evidências de que, em temperatura zero, existe um único ponto fixo universal, característico de uma fase de singleto aleatório, que governa o comportamento do modelo na presença de interações desordenadas. No caso de interações aperiódicas,obtemos resultados consistentes com previsões de grupo de renormalização, indicando, para uma certa classe de seqüências de substituição, um comportamento semelhante àquele associado à desordem. / We consider effects of disorder or aperiodicity on three different magnetic systems. First, we present a phenomenological model to describe the thermal dependence of the dilution-induced remanent magnetization in a class of quasi-one-dimensional antiferromagnets. The model treats correlations along the dominant direction in an exact way, while including the remaining inte-. i ractions via an effective field. Then, we use a self-consistent Bethe-Peierls ~ j .. approximation to gauge the effects of a random crystal field on the phase diagram of a mixed-spin Ising mode!. We show that disorder may have profound effects on the multicritical behavior associated with the uniform limit of the mo de!. Finally, we study effects of random or aperiodic interactions on the behavior of the quantum XX chain at low temperatures, by performing numerical calculations based on a mapping of the system onto a free-fermion mo de!. . We present evidence that, at zero temperature, there exists a single, universal fixed-point, associated with a random-singlet phase, which governs the behavior of the model in the presence of disordered interactions. In the case of aperiodic interactions, our results are consistent with renormalizationgroup predictions, indicating, for a certain class of substitution sequences, a behavior similar to the one induced by disorder.

This graduation theses analyses intercompany comparisons using one-dimensional and multi-dimensional methods. It focuses on enterprises actuating in terms of a subsegment of national economy – building industry. Factors that influence the performance of companies most in this field will be selected by using correlation coefficient. Its economic development during the years and also characteristics of the industry will be described in details.

The diploma thesis focuses on finding and identification of performance factors of the company by means of intercompany comparisons methods. It analyzes the company which operates in the field of information and communication technologies and is compared with companies in related field of national economy. The performance factors of the company are selected by means of correlation analysis, which influences the performance of the company, afterwards there are compared the positions selected of companies by means of intercompany comparison methods in particular years.

The thesis deals with silting of water reservoir Nové Heřminovy. There's describe design of artificial traffic and evaluate its effectiveness. To determine the flow of sediment into the reservoir with use a partially calibrated one-dimensional numerical model of sediment transport with deformation of bed is made in software HEC-RAS. Silting reservoirs is assessment with two methods, the results are compared and describes their limitations. Reservoirs silting evaluates through volume changes in reservoir storage in time.

Exploring surfaces is an essential ability for humans, allowing them to interact with a large variety of objects within their environment. This ability to explore surfaces is also of a major interest in the development of a new generation of humanoid robots, which requires the development of more efficient artificial tactile sensing techniques. The details perceived by statically touching different surfaces of objects not only improve robotic hand performance in force-controlled grasping tasks but also enables the feeling of vibrations on touched surfaces. This thesis presents an extensive experimental study of object surface exploration using biologically-Inspired tactile-enabled robotic fingers. A new multi-modal tactile sensor, embedded in both versions of the robotic fingertips (similar to the human distal phalanx) is capable of measuring the heart rate with a mean absolute error of 1.47 bpm through static explorations of the human skin. A two-phalanx articulated robotic finger with a new miniaturized tactile sensor embedded into the fingertip was developed in order to detect and classify surface textures. This classification is performed by the dynamic exploration of touched object surfaces. Two types of movements were studied: one-dimensional (1D) and two-dimensional (2D) movements. The machine learning techniques - Support Vector Machine (SVM), Multilayer Perceptron (MLP), Random Forest, Extra Trees, and k-Nearest Neighbors (kNN) - were tested in order to find the most efficient one for the classification of the recovered textured surfaces. A 95% precision was achieved when using the Extra Trees technique for the classification of the 1D recovered texture patterns. Experimental results confirmed that the 2D textured surface exploration using a hemispheric tactile-enabled finger was superior to the 1D exploration. Three exploratory velocities were used for the 2D exploration: 30 mm/s, 35 mm/s, and 40 mm/s. The best classification accuracy of the 2D recovered texture patterns was 99.1% and 99.3%, using the SVM classifier, for the two lower exploratory velocities (30 mm/s and 35mm/s), respectively. For the 40 mm/s velocity, the Extra Trees classifier provided a classification accuracy of 99.4%. The results of the experimental research presented in this thesis could be suitable candidates for future development.

Les nouvelles technologies mises en œuvre actuellement suscitent des demandes croissantes auprès de l’industrie électronique dont la capacité des circuits électroniques et de leurs microprocesseurs croît de façon explosive en suivant la loi de Moore. Le nombre croissant de transistors par unité de surface entraîne des échauffements considérables qui sont nuisibles au bon fonctionnement des systèmes et posent des problèmes d’évacuation de la chaleur générée, de façon très localisée, dans les composants électroniques. Afin de maîtriser les flux de chaleur créés, il est indispensable d’utiliser des matériaux nouveaux capables de conduire très rapidement et efficacement, c’est à dire de façon unidirectionnelle, la chaleur vers un puits thermique. Les travaux présentés dans cette thèse s’inscrivent dans cette problématique et proposent l’étude de matériaux, isolants électriques, afin d’éviter des courts circuits dans la fabrication de composants électroniques, mais aussi présentant une conductivité thermique fortement anisotrope afin d’évacuer la chaleur dans une seule direction. Pour cela des matériaux très conducteurs, à l’état monocristallin, sont nécessaires. Pour réaliser des mesures de conductivité thermique dans les meilleures conditions, de tels échantillons, d’excellente qualité et parfaitement homogènes ont été synthétisés. Pour obtenir une telle qualité d’échantillons, la méthode de la zone solvante (TSZM : Travelling Solvent Zone Method) a été utilisée. Cette méthode de croissance cristalline, n’utilisant pas de creuset, permet l’obtention de monocristaux exempts d’impuretés, de plusieurs centimètres de longueur. Les matériaux étudiés dans ce travail sont les cuprates de basse dimensionnalité Sr2CuO3, SrCuO2 et La5Ca9Cu24O41 présentant dans leur structure un arrangement d’ions cuivre Cu2+, de spin ½, sous forme de chaînes linéaires ou d’échelles, présentant un caractère 1D marqué. Leur conductivité thermique, dans la direction 1D, est décrite par la somme de deux contributions, l’une, phononique et, l’autre, d’origine magnétique, liée aux spins des ions cuivre. Pour obtenir une meilleure compréhension des différents mécanismes d’interaction en compétition, l’influence de la pureté de ces composés ainsi que celle du dopage sur le site des ions Cu2+ sur la conduction thermique d’origine magnétique, a été étudiée. La pureté des échantillons joue un grand rôle, à basse température, sur la conductivité thermique magnétique du fait d’une diminution des interactions spinons-défauts. Par ailleurs, une étude structurale par diffraction des rayons X et de neutrons sur chacun des composés a été réalisée et a mis en évidence la présence de distorsions dans la structure du composé La5Ca9Cu24O41. / Today’s new technologies bring increasing demands to the electronics industry whose capacity of electronic circuits and related microprocessors increases very rapidly, following Moore’s law. The increasing number of transistors per unit area brings about significant heating which may be harmful to the good functioning of the systems and creates problems in the evacuation of the very localized heat generated in the electronic components. In order to control the heat flow which is produced, it is essential to use new materials able to conduct rapidly and efficiently, i. e. unidirectionally, the heat toward a heat sink. The present thesis work deals with the above described issues and presents the study of materials which have to be insulating in order to avoid short circuits in the electronic components and also exhibit a strong anisotropy of the thermal conductivity in order to evacuate the heat exclusively in one direction. Single crystals are therefore required. In order to realize thermal conductivity measurements in the best conditions, perfect homogeneous single crystals of excellent quality were synthesized by the Travelling Solvent Zone Method. This no-crucible crystal growth method allows the synthesis of impurity-free single crystals several cm long. The investigated materials are the low dimensional cuprates Sr2CuO3, SrCuO2 and La5Ca9Cu24O41 exhibiting in their structures an alignment of Cu2+ ions of spin ½ as linear chains or ladders, showing thus a distinct 1D character. Their thermal conductivity in the 1D direction is described as the sum of two contributions, one phononic and the other of magnetic origin. In order to obtain a better understanding of the different competitive interaction mechanisms, the influence on thermal conductivity, of the purity of the compounds and also of doping on the copper site has been investigated. Furthermore, structural refinement was done (X-ray and neutron diffraction) and has permitted to highlight distortions in the La5Ca9Cu24O41 samples

In this thesis the morphology and the atomic structure of quasi-one-dimensional structures grown on Si were determined by means of diffraction experiments in combination with kinematic diffraction theory calculations. In the first and the second study a formerly unknown superstructure of Dy/Tb on Si(111) was characterized by means of STM, DFT, SPA-LEED experiments and kinematic diffraction calculations. Here, a structure model could be proposed which contains half as many subsurface Si vacancies as compared to the well-known superstructure of Dy/Tb on Si(111) it was derived from. Due to the decreased number of subsurface Si vacancies the reconstruction is subject to an uni-axial strain which is mitigated by the formation of domains separated by anti-phase domain boundaries. It could be shown that two different types of domains alternate across the surface forming quasi-one-dimensional domains. Additionally, the distribution of the domains could be derived by comparison with kinematic diffraction calculations. In the third study a deeper insight into the complex system of bundled rare-earth silicide nanowires on Si(001) was given. Here, the distributions of the NW width, the bundle width and the bundle distance were deduced from the diffraction patterns collected by SPA-LEED and the subsequent comparison to kinematic diffraction theory calculations. Additionally, it was shown that the (2 x 1) reconstruction sometimes observed on top of the NWs by STM cannot exist over larger parts of the sample and instead a (1 x 1) reconstruction needs to be assumed to explain the experimentally observed diffraction data. In the fourth study the atomic structure of the gold induced atomic wires of the Si(111)-(5 x 2)-Au system was analyzed. The Patterson function of the in-plane SXRD data was compared to the Patterson functions derived from the atomic structure models proposed in literature (AN, EBH, KK) ruling out the AN-model. By comparison of the experimental out-of-plane SXRD data to the corresponding (calculated) SXRD data for the EBH- and the KK-model the KK-model could be identified as the most probable model. Additionally, a refined atomic structure model was derived for the KK-model. In conclusion, the results presented in this thesis clearly display the power of diffraction experiments especially in conjunction with the comparison to kinematic diffraction theory calculations and prove that they are applicable even to low dimensional (e.g., quasi-one-dimensional) structures. Furthermore, it was shown that diffraction experiments can deliver complementary information (e.g., information on deeper atomic layers) as compared to local probing methods (e.g. STM or Atomic Force Microscopy) and especially the combination of local probing methods, DFT calculations and diffraction experiments allows for the explanation of even very complicated material systems.

Der erste Teil der Arbeit beschäftigt sich mit ultraschnellen Relaxationsprozessen in quasi-eindimensionalen organischen Molekülkristallen. Als Modellsystem wird das Perylenderivat MePTCDI untersucht. Mit verschiedenen Methoden der optischen Ultrakurzzeit-Spektroskopie werden Prozesse der Exzitonen- und Phononenrelaxation in der Zeit-Domäne untersucht. Die dafür aufgebauten Experimente erreichen eine Zeitauflösung von 20 Femtosekunden. Durch optische Anregung der niedrigsten elektronischen Übergänge werden in einem organischen Molekülkristall freie Exzitonen mit Wellenvektor k=0 gebildet. Dabei werden gleichzeitig zahlreiche intramolekulare und intermolekulare Schwingungsfreiheitsgrade angeregt. Die Anregung mit fs-Laserpulsen führt zum Aufbau kohärenter Schwingungswellenpakete. Es werden sowohl hochenergetische Oszillationen intramolekularer Vibrationen beobachtet, als auch erstmalig niedrigenergetische Oszillationen, die von Gittervibrationen (Phononen) stammen. Die kohärenten Vibrationen im elektronischen Grundzustand klingen bei Raumtemperatur im Bereich einiger Pikosekunden ab. Durch die optische Anregung mit fs-Laserpulsen wird nicht nur phononische Kohärenz, sondern auch elektronische Kohärenz der optischen Übergänge induziert. Die elektronische Kohärenz klingt mit der Dephasierungszeit T2 ab. Trotz der hohen Zeitauflösung war es letztendlich nicht möglich, die Dephasierung des niedrigsten exzitonischen Übergangs zeitlich aufzulösen - sie liegt jedoch im Bereich 17fs < T2 < 52fs. Die energetische Relaxation der freien Exzitonen zu den relaxierten, emittierenden Exzitonenzuständen erfolgt mit einer Zeitkonstante von ca. 50fs. Von diesen relaxierten Zuständen erfolgt die energetische Abregung in den elektronischen Grundzustand im ns-Bereich. Im zweiten Teil der Arbeit werden Untersuchungen an selbst-assemblierten Monoschichten (SAM) photochromer Moleküle vorgestellt. Als Modellsystem dienen Azobenzen-funktionalisierte Thiole auf Gold (111). Es konnten hochgeordnete Monoschichten dieser photochromen Moleküle erzielt werden, allerdings sind die bisherigen Schichten aufgrund der dichten Packung nicht photoaktivierbar. Mit Hilfe von Raster-Mikroskopie und Infrarot-Spektroskopie werden diese ultradünnen Schichten strukturell untersucht. Es wird ein kommensurates Wachstum mit zwei Molekülen in der nahezu rechteckigen Einheitszelle beobachtet, wobei die laubbaumförmigen Moleküle nahezu senkrecht auf der Oberfläche stehen. Als weitere Methode wurde die Generation der zweiten Harmonischen (Second Harmonic Generation, SHG) angewendet. Diese Technik eröffnet prinzipiell die Möglichkeit, photostimuliertes Schalten der Schicht zeitaufgelöst zu untersuchen. / The first part of this thesis is devoted to ultrafast relaxation processes in quasi-one-dimensional organic molecular crystals. Crystalline samples of the perylene derivative MePTCDI are employed as a model system. Processes concerning the excitonic and phononic relaxation are investigated in time domain using various experimental techniques of optical ultrafast spectroscopy. The experimental setups attain a time-resolution of 20 femtoseconds. Free excitons at wavevector k=0 are formed in a molecular crystal by optical excitation of the lowest electronic transitions. Thereby, various intramolecular and intermolecular vibrational degrees of freedom are excited simultaneously. The excitation by fs-laser pulses results in the composition of coherent vibrational wave packets. Both, higher-energetic oscillations caused by intramolecular vibrations (internal phonons) and, for the first time in a quasi-one-dimensional organic system, lower-energetic modulations which are related to coherent lattice phonons (external phonons) are observed. The coherence of both types of phonons in the electronic ground state is damped at room temperature within a few ps. Besides phononic coherence, optical excitation by fs-laser pulses additionally induces electronic coherence of the optical transitions. The electronic coherence decays with the dephasing time T2. In spite of the high time-resolution, finally it was not possible to time resolve the dephasing of the lowest excitonic transition - however, we can estimated it to be in the range of 17fs < T2 < 52fs. The energetic relaxation of free excitons to the relaxed, emitting exciton states takes place with a time constant of approx. 50fs. The subsequent energetic relaxation to the electronic ground state occurs on a ns-time scale. In the second part, investigations of self-assembled monolayers (SAM) of photochromic molecules are presented. Azobenzene-functionalized thiols on gold (111) are employed as a model system. Highly ordered monolayers of these photochromic molecules could be realized. However, these layers are not photoactive because of dense packing. By use of scanning tunneling microscopy and infra-red spectroscopy the structural properties of these ultrathin layers are investigated. A commensurate growth, yielding a lattice with two molecules within the nearly rectangular unit cell is observed. The molecules, shaped like a broad-leafed tree, are found to stand nearly upright on the surface. Second harmonic generation (SHG) is applied as another experimental method. This technique allows to time resolve photo-stimulated conformational changes of the layers in principle.