Les cristaux granulaires sont des arrangements périodiques ou structurés de particules élastiques en contact. Ce travail de thèse porte sur l’étude théorique et expérimentale de la propagation d’ondes élastiques à travers de telles structures.Un cristal granulaire unidimensionnel composé d’une chaîne de billes d’acier couplées à des aimants permanents fixes est tout d’abord étudié. Les forces statiques de contact entre les billes, déterminantes pour les caractéristiques de la propagation et la dispersion des ondes élastiques, sont créées par le champ magnétique des aimants. Cette configuration permet donc d’adapter la réponse dynamique du milieu en modifiant les forces magnétiques des aimants. Un modèle linéaire prenant en compte tous les degrés de liberté en translations et rotations des billes et les couplages élastiques (longitudinal, de cisaillement et de torsion) entre billes et entre les billes et un substrat est développé. Il permet d’obtenir les relations de dispersion des modes de propagation dans ce système en fonction des différents paramètresde couplage. Les expériences réalisées mettent en évidence la propagation de modes élastiques avec micro-rotation des billes et démontrent la pertinence du modèle pour la description de ce système. Plusieurs effets de dispersion intéressants sont observés et discutés, modes à vitesse de groupe nulle, modes mous. . . Dans un second temps, une étude prenant en compte les nonlinéarités de contact permet de prédire et d’observer expérimentalement la génération d’harmonique, le filtrage d’harmoniques ainsi que la conversion de modes longitudinaux vers des modes couplés de translation-rotation dans des structures granulaires s’écartant des chaines unidimensionnelles simples. Ces travaux ouvrent des perspectives intéressantes pour le contrôle d’ondes élastiques, dans le régime non linéaire, avec desstructures granulaires architecturées. / Granular crystals are periodic or structured arrangements of elastic particles in contact. This work is devoted to theoretical and experimental study of the elastic wave propagation through such structures.A one-dimensional granular crystal composed of steel spherical beads coupled to permanent magnets placed in a substrate is first studied. Static forces at the contact between beads, determining the wave propagation and dispersion characteristics, are induced by the magnetic field from the magnets. This configuration enables tuning the dynamic response of the chain by modifying the magnetic strength of the magnets. A linear model taking into account all degrees of freedom of the beads (three translations and three rotations) as well as all elastic couplings (longitudinal, shear and torsional), between the beads and between the beads and the substrate is developed. This model provides the dispersionrelations of the modes in the system for different coupling parameters. The associated experiments confirm the elastic propagation of modes with micro-rotation of beads and demonstrate the pertinence of the model for the system description. Several interesting effects on the dispersion are observed and discussed, zero group velocity modes, soft modes. . .In a second part, we take into account the nonlinearities originating from the contacts to predict and then observe experimentally the second harmonic generation. The filtering of harmonics along with conversion from longitudinal to coupled transversalrotational modes in granular structures, is also observed for a configuration deviating from simple one-dimensional chains. This work opens the way for interesting applications in elastic wave control, in the nonlinear regime, with structured granular devices.

Le but principal de ce travail est d'examiner la capacité des méthodes clusters couplés explicitement corrélées (CCSD(T)-F12) pour la génération des surface de potentiel (SEPs) multidimensionnelles à courte, moyenne et longue portée intermoléculaires et leur utilisation dans la détermination des spectres des systèmes van der Waals (vdW) et des données de collision sur une large gamme d'énergie de collision. Ceci a été fait par une comparaison directe des surfaces de potentiel et des résultats générés à partir de l'utilisation des méthodes clusters couplés standards avec simple, double et un traitement perturbatif des excitations triples (CCSD(T)) et explicitement corrélée CCSD(T)-F12. En effet, nous démontrons que la méthode CCSD(T)-F12 en connexion avec la base aug-cc-pVTZ est la méthode de choix pour la génération de ces surfaces de potentiel avec une très grande réduction du coût computationnel (temps CPU et occupation disque). Ceci est illustré à travers l'étude des systèmes vdW HCl/DCl-He et CO2 -CO2 qui sont importants pour l'astrophysique et les atmosphères planétaires. Pour HCl/DCl-He, nous avons comparé les résultats issus des SEPs explicitement corrélées et celles calculées avec les méthodes cluster couplés standards. Ces SEPs ont été générées le long des coordonnées intermonomères. A travers ces comparaisons, nous avons montré que l'utilisation des méthodes CCSD(T)-F12/aug-cc-pVTZ explicitement corrélées permet de dépasser la précision de l'approche CCSD(T)/CBS (prise comme référence) avec un coût computationnel très réduit. La qualité de la surface de potentiel explicitement corrélée a été vérifiée par le calcul des sections efficaces et des taux de collision d'excitation rotationnelle de HCl/DCl par He. Par la suite, Nous étendons, notre étude aux systèmes moléculaires plus larges à travers l'étude du dimère de dioxyde de carbone,(CO2 )2 . Ainsi, nous avons généré une SEP d'interaction à 4 dimensions pour le dimère de dioxyde de carbone (CO2 )2 en utilisant la méthode CCSD(T)-F12/aug-cc-pVTZ qui a été comparée avec d'autres surfaces et spécialement avec celle générée par les approches de référence CCSD(T)/CBS et SAPT. Cette comparaison a bien prouvé la performance des méthodes explicitement corrélées pour la description de la corrélation électronique. Ceci, a été validé par des calculs de dynamique qui ont permis de déterminer le second coefficient du viriel, le premier moment spectral et les niveaux vibrationnels du dimère de CO2 et leur comparaison aux résultats expérimentaux et théoriques existants. Nous recommandons donc l'utilisation de la méthode CCSD(T)-F12/aug-cc-pVTZ pour l'étude des interactions moléculaires impliquant des systèmes polyatomique-polyatomique faiblement liés / The main goal of this work is to examine the capabilities of explicitly correlated coupled cluster (CCSD(T)-F12) methods for the mapping of multidimensional potential energy surfaces (PESs) at short, medium and long intermolecular ranges and therefore their use in the determination of accurate collisional data for a wide range of collision energies after dynamical computations. This is done through close comparisons of these PESs and corresponding data to those deduced using standard coupled cluster approaches with perturbative treatment of triple excitations (CCSD(T)). Therefore, we definitely establish that CCSD(T)-F12 in connection with the aug-cc-pVTZ basis set is the method of choice for the generation of such accurate PESs with strong reduction of computational cost (CPU and disk occupancy). As a benchmark, we treated the rotational excitation induced by collision of HCl/DCl-He and CO2 -CO2 van der Waals molecular systems, which are relevant for astrophysics and planetary atmospheres, respectively. For HCl-He and DCl-He, we closely compared the results deduced from PESs calculated with explicitly correlated and standard coupled cluster methods. These PESs were generated over the intermonomer degrees of freedom. Through these comparisons, we have shown that the use of explicitly correlated CCSD(T)-F12/aug-cc-pVTZ method overcomes the accuracy of the reference approach CCSD(T) associated with the complete basis set (CBS) with a very low computational cost (2 orders of magnitude less). The quality of the explicitly correlated potential surface was verified by cross sections and collision rate calculations. Then, we extended our findings to the CO2 -CO2 larger molecular systems. Hence, we generated four-dimentional (4D) PES of the carbon dioxide dimer (CO2 )2 using the CCSD(T)-F12 method and we compared it with other surfaces specially with that generated by the CCSD(T)/CBS and SAPT approaches. Again, we established the performance of explicitly correlated method to account fully for electron correlation. This was validated after dynamical calculations, where second virial coefficient, first spectral moment and vibrational energies of the CO2 dimer were computed and compared to previous experimental and theoretical data. In total, we recommend the use of CCSD(T)/aug-cc-pVTZ method for the investigation of weak interactions occurring between polyatomic-polyatomic systems for a wide range of applications

Submitted by Biblioteca Central (biblioteca@unicap.br) on 2018-07-19T13:31:13Z No. of bitstreams: 2 hugo_geovanni_gomes_gamboa.pdf: 5687774 bytes, checksum: dc28db58ddab00d3a71f4246989eb1c4 (MD5) license_rdf: 0 bytes, checksum: d41d8cd98f00b204e9800998ecf8427e (MD5) / Made available in DSpace on 2018-07-19T13:31:13Z (GMT). No. of bitstreams: 2 hugo_geovanni_gomes_gamboa.pdf: 5687774 bytes, checksum: dc28db58ddab00d3a71f4246989eb1c4 (MD5) license_rdf: 0 bytes, checksum: d41d8cd98f00b204e9800998ecf8427e (MD5) Previous issue date: 2017-06-17 / A lower specific fuel consumption has been the main reason for conducting research and technological developments in thermal production area of energy. One of the options to reach that desired condition is an efficient control of the engine block temperature in the generator group of a thermal plant. To this, they were tested different antifreeze, which gave the deionized water in preparation for the secondary refrigerant, reductions in thermos physical properties of their specific heat and thermal conductivity. After choosing the antifreeze with the help of experimental design using central composite rotate design (CCRD), the 30 % ethylene glycol solution had their performance compared to deionized water on a bench scale unit of a diesel generator group. Experimental data on the response of aqueous solution of ethylene glycol, against temperature variations at the entrance of the generator motor unit were monitored and stored in an electronic register (FieldLogger) and subsequently analyzed graphically with the aid of a computer. Although a lower value for the specific heat of the aqueous ethylene glycol solution had, as expected, produced pulses faster response to temperature changes in the engine block input, from the 70 ° C reduction in thermal conductivity contributed to production of pulses lower for pure deionized water. However, in the power range tested the aqueous solution of ethylene glycol presented as advantages a reduction of specific fuel consumption of the order of 42% between 68 °C and 75 °C. / Um menor consumo específico de combustível tem sido um dos principais motivos para realização de pesquisas e desenvolvimentos tecnológicos na área de produção térmica de energia. Uma das opções para se chegar a essa condição desejada é um controle eficiente da temperatura do bloco do motor do grupo gerador em uma termelétrica. Para isso, foram testados diferentes anticongelantes, os quais conferiram à água deionizada de preparação do refrigerante secundário, reduções em suas propriedades termofísicas de calor específico e condutividade térmica. Após a escolha do anticongelante com auxílio de experimentos, utilizando-se Delineamento Composto Central Rotacional (DCCR) e propondo um modelo de previsão, a solução de etilenoglicol a 30% teve seu desempenho em relação à água deionizada testado em uma unidade de bancada de um grupo gerador diesel. Os dados experimentais sobre a resposta da solução aquosa de etilenoglicol, frente a variações de temperatura na entrada do bloco do motor do grupo gerador foram acompanhados e armazenados em um registrador eletrônico (fieldlogger) e, posteriormente, analisado graficamente com auxílio de um computador. Apesar de um menor valor para o calor específico da solução aquosa de etilenoglicol ter, como esperado, produzido pulsos de respostas mais rápidas às variações de temperatura na entrada do bloco, a partir dos 70 oC a redução na condutividade térmica contribuiu para produção de pulsos menores para a água deionizada pura. Contudo, na faixa de potência testada a solução aquosa de etilenoglicol apresentou vantagens com redução de consumo específico da ordem de 42% entre 68 oC e 75 oC.

This master’s thesis deals with the design of the manipulator for rotating objects, especially workpieces, semifinished products, or complete products around horizontal axis. It’s the manipulator for objects where is needed change orientation during production process. This thesis describes step by step construction of individual components of the manipulator and calculations of propulsive units. At the beginning the conveyor roller with propulsive unit is designed. The next step is construction of scissor lift table and choice of the propulsive unit. There is also made FEM analysis for the scissor mechanism. The next unit is aimed to the construction and computation of rotating and telescopic jaw. Then hydraulic circuit with computation of the propulsive unit is designed. As the final step the appropriate type of sensors are chosen and the step diagram of the manipulator is made. The manipulator is designed in the 3D model program and there are also made some assembly drawings.

The decaying plasma was studied by the optical emission spectroscopy. DC discharge created at 45 – 200 mA in Pyrex and Quartz tubes in flowing regime was used. The emission of three nitrogen spectral systems (1st and 2nd positive and 1st negative) were studied in time evolution for pressures of 500 – 5 000 Pa at two wall temperatures – ambient and liquid nitrogen (150 K inside the decaying plasma). Results showed that all three nitrogen systems (respectively N2(B, v), N2(C, v) and N2+(B, v) states as their origins) had their population maxima called pink-afterglow in the afterglow part. These maxima decreased with the increase of pressure for all systems, and moved to the later decay time. Maxima increased with discharge current (respectively power) and moved to shorter time. Populations at temperature of 150 K were measured due to the experimental arrangement from 17 ms, only, and thus pink aftergow maximum wasn’t observed (only at 5 000 Pa some maximum was recognized). Populations were smaller at 150 K that populations measured at laboratory temperature at the middle decay time (50-100 ms). At the late time, the populations were higher at lower temperature at lower pressure. Higher shifts (in intensity and decaytime) of pink afterglow maxima were observed in Quartz tube in comparison with their values in Pyrex tube. Besides the populations, rotational temperatures of selected bands of three observed spetral systems (for 1st negative 0-0 band, 1st positive 2-0 band and for 2nd positive 0-2 band) were measured. Rotational temperatures were monitored from presumption that this kind of temperature is equal to temperature of neutral gas (at local thermodynamic equilibrium). Results from 1st negative and 1st positive system showed strong decreasing of rotational temperatures up to about 10 ms at post-discharge begin, then temperatures were constant up to 20 ms of decay time and after that they grew up. Temperatures increased with the increase of current. The part with decreased temperature correlated with pink-afterglow part of post-discharge. Unfortunately, rotational temperatures of 2nd positive system had bad reproducibility and the time profile shape was opposite. Experimental results were compared with numerical kinetic model created by group of prof. Vasco Guerra at Instituto Supetior Técnico in Portugal. Several sets of conditions for simulation at 500 and 1 000 K in active discharge were applicable for the calculation corresponding to the experiment. Comparison of numerical simulation and experimental data done for N2(B) state demonstrated that maxima populations in pink afterglow are depended on the temperature difference between active discharge and post discharge. Maxima populations were supposed in pink afterglow disappeared if the same temperatures in active and post discharges were supposed. Temperature in active discharge is higher at higher apllied power, as it was showed from rotational temperatures observation. The results clearly showed that real temperature profile must be included into the kinetic model.

This diploma thesis implements methods for a measurement of rotational speed. It is implemented on the Compact RIO platform from National Instruments. Corresponding SW is implemented using the graphical programming language G in LabView environment. Developed system uses two different sensors – incremental encoder and tacho sensor for measurements of rotational speed. Thesis further analysis and implements a method for an encoder nonlinearity determination and for its on-line correction. For used methods, effects adding errors into the measurements are evaluated and quantified.

MRDV / Institute of Rural Development / See the attached abstract below

In this study Monte Carlo solutions to the radiative transfer equations are used to model translational and rotational motion seismogram envelopes in random elastic media with deterministic background structure assuming multiple anisotropic scattering. The results of the Monte Carlo radiative transfer theory simulations are verified by comparisons with 3D full wave field finite difference simulations. The observation and modeling of the three additional components of rotational ground motions can provide independent information about seismic wave propagation in the Earth’s structure. Rotational motions around the vertical axis observed in the P-wave coda are of particular interest as they can only be excited by horizontally polarized shear waves and therefore indicate the conversion from P- to SH-energy by multiple scattering at 3D-heterogeneities. Scattering and attenuation parameters in south-east Germany beneath the Gräfenberg array and in the Vogtland region are estimated by comparisons of synthesized multi-component seismogram envelopes to seismic data from local and regional swarm earthquakes and to teleseismic events. In a first step, frequency dependent scattering and attenuation parameters from a local data set are estimated for the Vogtland region using nearby swarm earthquakes. The results from the elastic simulations are compared to outcomes from acoustic radiative transfer simulations. Both methods yield similar results and suggest that intrinsic attenuation dominates scattering attenuation. From the elastic simulations it is observable, that forward scattering is required to explain the data. However, the amount of forward scattering strength remains unresolvable. In a second step scattering and attenuation parameters beneath the Gräfenberg array are estimated using a nonlinear genetic inversion of seismogram envelopes from regional events at high frequencies (4–8 Hz). The preferred model of crustal heterogeneity consists of a random medium described by an exponential auto correlation function with a transport mean free path length of ∼ 420 km. The quality factor for elastic S-wave attenuation Q iS is around 700. In a final step simulations of teleseismic P-wave arrivals, using this estimated set of scattering and attenuation parameters, are compared to observed seismogram envelopes from deep events. Simulations of teleseismic events with the parameters found from the regional inversion show good agreement with the measured seismogram envelopes. This includes ringlaser observations of vertical rotations in the teleseismic P-wave coda that naturally result from the proposed model of wave scattering. The model also predicts, that the elastic energy recorded in the teleseismic P-coda is not equipartitioned, unlike the coda of regional events, but contains an excess of shear energy. The combined results from the three different data sets suggest that scattering generating the seismic coda mainly occurs in the crustal part of the lithosphere beneath the receivers. The observations do not require scattering of high frequency waves in the mantle, but weak scattering in the lithospheric mantle cannot be ruled out. / In dieser Studie werden Monte Carlo Lösungen für die Energietransfergleichungen genutzt, um Seismogrammeinhüllende von Translations- und Rotationsbewegungen zu modellieren. Die Ergebnisse der Monte Carlo Simulationen werden durch einen Vergleich mit 3D finiten Differenzen Simulationen verifiziert. Diese Modellierung findet in einem elastischen Zufallsmedium mit deterministischer Hintergrundstruktur unter Annahme multipler anisotroper Streuung statt. Die Beobachtung und Modellierung der drei zusätzlichen Komponenten der Rotationsbodenbewegungen kann unabhängige Informationen über die Ausbreitung seismischer Wellen im Erdkörper liefern. Rotationsbewegungen um die vertikale Achse in der P-Wellen Koda sind in diesem Zusammenhang von speziellem Interesse, da sie nur von horizontal polarisierten Scheerwellen angeregt werden können. Die gemessenen Rotationsbewegungen deuten folglich auf Konversionen von P- zu SH-Energie durch multiple Streuung an 3D-Heterogenitäten hin. Für die Bestimmung von Streu- und Dämpfungsparametern im Südosten Deutschlands (Gräfenberg Array, Vogtland) werden synthetisch erzeugte, mehrspurige Seismogrammeinhüllende mit Daten lokaler und regionaler Schwarmbeben und teleseismicher Ereignisse verglichen. In einem ersten Schritt werden frequenzabhängige Krustenparameter für die Vogtlandregion mittels eines lokalen Datensatzes von nahen Schwarmbeben bestimmt. Die Resultate mittels elastischer Energietransfertheorie werden mit Ergebnissen aus Simulationen mittels akustischer Energietransfertheorie verglichen. Beide Methoden liefern ähnliche Parameter und sagen einen größeren Einfluss der intrinsichen Dämpfung im Vergleich zur Streudämpfung voraus. Aus den elastischen Simulationen geht hervor, dass für die Beschreibung der Daten Vorwärtsstreung angenommen werden muss, die Stärke dieser lässt sich jedoch nicht auflösen. In einem zweiten Schritt werden die Streu- und Dämpfungseigenschaften der Erdkruste im Untergrund des Gräfenberg Arrays untersucht. Hierzu wird eine nicht-lineare genetische Inversion von Seismogrammeinhüllenden regionaler Ereignisse bei hohen Frequenzen (4–8 Hz) verwendet. Das bevorzugte Modell der Krustenheterogenität wird durch ein exponentielles Zufallsmedium, einer mittleren freien Transportweglänge von ca. 420 km und einem Qualitätsfaktor für S-Wellen Q iS von ca. 700 beschrieben. Ein letzter Schritt vergleicht Simulationen von teleseismischen P-Welleneinsätzen mit beobachteten Seismogrammeinüllenden von tiefen Erdbeben unter der Nutzung der Parameter aus der regionalen Inversion. Die Simulationen der teleseismischen Ereignisse mit den Parametern der regionalen Inversion zeigen eine gute Übereinstimmung mit den gemessenen Seismogrammeinhüllenden. Dieser Vergleich beinhaltet Ringlaserbeobachtungen der Rotationsbewegungen um die vertikale Achse, welche aus dem angenommenen Streumodell resultieren. Das Modell sagt voraus, dass die elastische Energie in der teleseismischen P-Wellen Koda im Gegensatz zur Koda lokaler oder regionaler Ereignisse nicht gleichverteilt ist, sondern einen Überschuss an Scheerenergie beinhaltet. Die Resultate aus den Untersuchungen der lokalen, regionalen und teleseismischen Datensätze zeigen, dass die Streuereignisse, welche die seismische Koda erklären, hauptsächlich in der Kruste unterhalb der seismischen Empfänger stattfinden. Streuung des Wellenfeldes im Mantel wird für die Erklärung der Daten nicht benötigt, schwache Streuung im lithosphärischen Mantel kann jedoch nicht ausgeschlossen werden.

The analytical solution of a given inhomogeneous boundary value problem of a linear, elliptic, inhomogeneous partial differential equation and a set of inhomogeneous mixed Dirichlet- and Neumann-type boundary conditions is derived in the present paper. In the context of elasticity theory, the problem arises for a non-conservative symmetric ansatz and an extended constitutive law shown earlier. For convenient user application, the scalar function expressed in cylindrical coordinates is primarily obtained for the general case before being expatiated on a special case of linear boundary conditions.

Trots att det har utvecklats skyddsutrustning som skyddar hjärnan mot farlig roterande kinematik inom flera områden, finns ännu ingen utrustning som skyddar boxare mot den typen av våld. Syftet med arbetet var att göra olympisk boxning och träning säkrare. Målet var att utveckla en handske som reducerar töjningen i hjärnan med minst 20 %. I det här arbetet utvecklades och testades ett antal boxningshandskar med implementerade glidskikt som skulle reducera töjningen i hjärnan som uppstår när huvudet utsätts för roterande kinematik. Testerna genomfördes med en linear impactor som slog handskarna mot ett testhuvud. Testhuvudet samlade mätdata med hjälp av nio accelerometrar. Två av prototyperna reducerade töjningen med mer än 20 % vid ett eller flera tester men de hade brister i användningsbarhet. Ingen av prototyperna uppfyllde alla mål och därför kan ingen prototyp rekommenderas för vidareutveckling men det kan konstateras att det finns potential i grundidén. / Although protective equipment has been developed that protects the brain against dangerous rotating kinematics in several areas, no equipment is yet available to protect boxers against this type of violence. The purpose of this work was to make Olympic boxing and training safer. The goal was to develop a glove that reduces the strain in the brain by at least 20 %. In this work, a number of boxing gloves with implemented sliding layers were developed and tested, which would reduce the strain in the brain that occurs when the head is subjected to rotational kinematics. In the tests a linear impactor was used, which hit the gloves against a test head. The test head collected data using nine accelerometers. Two of the prototypes reduced the strain by more than 20% in one or more tests, but they lacked in usability. None of the prototypes met all objectives and therefore no prototype can be recommended for further development, but it can be stated that there is potential in the basic idea. / <p>Betyg 2020-07-11</p>