Neste trabalho é apresentado o desenvolvimento de programa para cálculo de campos eletromagnéticos baseado no método das Diferenças Finitas no Domínio do Tempo (FDTD). O programa é aplicado no cálculo da Taxa de Absorção Específica (“Specific Absortion Rate” – SAR) em modelos de cabeça de adulto e criança usuários de telefone celular. Para a modelagem da cabeça da criança é feita análise detalhada das principais diferenças das características de cabeças de adulto e criança. Também é desenvolvido um programa para o cálculo do aumento de temperatura relacionado com a Taxa de Absorção Especifica. Os resultados são comparados com dados de outros autores, bem como com as normas relativas a níveis de exposição a ondas eletromagnéticas. / The development of software to compute the electromagnetic fields employing the Finite Difference Time Domain (FDTD) method is shown in this work. This software is used to estimate the Specific Absorption Rate (SAR) in head models of child and adult users of cell phones. A detailed analysis of the main differences between child and adult heads is made in order to model the child head. Software to compute the temperature rise related with the calculated SAR is also developed. The results are compared with results obtained by others authors, as well as with electromagnetic field exposure guidelines.

O uso de biomassas para biossorção de metais pesados é bem documentado na literatura e vários tipos de espécies de microrganismos e algas já foram testados. A maior parte destes trabalhos foi realizada com biomassa seca para prevenir qualquer resposta metabólica indesejável. Vários estudos na literatura sugerem o uso de biomassa seca sobre condições moderadas, tais como secagem ao sol; por outro lado, vários trabalhos recomendam a faixa de 313K a 353K para garantir completa inativação da biomassa. O efeito da biomassa seca ao sol a 303K e seca a 333K em estufa na remoção de Cd2+ é aqui reportado. A avaliação dos resultados foi baseada na cinética e capacidade de remoção do metal pela alga Sargassum filipendula. Os resultados indicam que a adsorção máxima de metal não foi notadamente reduzida quando a biomassa seca em estufa foi usada, para concentrações de cádmio na faixa de 10,0 a 500,0 mg L-1. O estudo cinético realizado indicou que o modelo de pseudo segunda ordem ajustou melhor os dados experimentais, tanto para uma solução diluída (10 mg L-1) quanto para a concentrada (100 mg L-1). Em ambos os casos, os efeitos da secagem em estufa, a 60C refletiu-se suavemente na remoção do metal. Os dados experimentais foram melhor ajustados pelo modelo de Langmuir em comparação com o modelo de Freundlich. Análises termogravimétricas mostraram que não havia dano estrutural no biossorvente devido à secagem em estufa. O espectro de infravermelho não indicou diferença entre a biomassa in natura e seca. O efeito da temperatura na biossorção do metal significativo na faixa de 303K a 328K, refletindo-se na capacidade de remoção do cádmio / The use of biomass for biosorption of heavy metals is well documented in the literature and several types of microbial species and seaweeds were already tested. Most of these works are conducted with dry biomass in order to prevent any undesirable metabolic response. Several literature reports suggest drying the biomass under mild conditions, such as sun-drying; on the other hand, several reports recommend the range from 313 K to 353 K to ensure complete inactivation of the biomass. The effect of sun-drying the biomass at 303 K and oven-drying at 333 K in Cd2+ ions remotion is here reported. Evaluation of results was based on the kinetics and uptake capacity of the metal by the seaweed Sargassum filipendula. Results indicated that the maximum metal uptake was not markedly reduced when oven-dried biomass was used, for cadmium concentrations ranging from 10.0 to 500.0 mg L-1. Kinetic tests performed indicated a better fit of the experimental data to the pseudo second order model, both for a dilute (10 mg L-1) and a concentrated solution (100 mg L-1). In both cases the effect of drying in an oven, at 333 K was slightly reflected in the uptake. Results were best represented by the Langmuir model in comparison to the Freundlich model. Thermogravimetric analysis confirmed that no structural damage due to drying at high temperatures was observed. Infrared spectra indicated no difference between the in natura and dried biomass. The effect of temperature on the metal uptake was significant in the range from 303 to 328 K, reflected in the cadmium uptake capacity

Neste trabalho é apresentado o desenvolvimento de programa para cálculo de campos eletromagnéticos baseado no método das Diferenças Finitas no Domínio do Tempo (FDTD). O programa é aplicado no cálculo da Taxa de Absorção Específica (“Specific Absortion Rate” – SAR) em modelos de cabeça de adulto e criança usuários de telefone celular. Para a modelagem da cabeça da criança é feita análise detalhada das principais diferenças das características de cabeças de adulto e criança. Também é desenvolvido um programa para o cálculo do aumento de temperatura relacionado com a Taxa de Absorção Especifica. Os resultados são comparados com dados de outros autores, bem como com as normas relativas a níveis de exposição a ondas eletromagnéticas. / The development of software to compute the electromagnetic fields employing the Finite Difference Time Domain (FDTD) method is shown in this work. This software is used to estimate the Specific Absorption Rate (SAR) in head models of child and adult users of cell phones. A detailed analysis of the main differences between child and adult heads is made in order to model the child head. Software to compute the temperature rise related with the calculated SAR is also developed. The results are compared with results obtained by others authors, as well as with electromagnetic field exposure guidelines.

Neste trabalho é apresentado o desenvolvimento de programa para cálculo de campos eletromagnéticos baseado no método das Diferenças Finitas no Domínio do Tempo (FDTD). O programa é aplicado no cálculo da Taxa de Absorção Específica (“Specific Absortion Rate” – SAR) em modelos de cabeça de adulto e criança usuários de telefone celular. Para a modelagem da cabeça da criança é feita análise detalhada das principais diferenças das características de cabeças de adulto e criança. Também é desenvolvido um programa para o cálculo do aumento de temperatura relacionado com a Taxa de Absorção Especifica. Os resultados são comparados com dados de outros autores, bem como com as normas relativas a níveis de exposição a ondas eletromagnéticas. / The development of software to compute the electromagnetic fields employing the Finite Difference Time Domain (FDTD) method is shown in this work. This software is used to estimate the Specific Absorption Rate (SAR) in head models of child and adult users of cell phones. A detailed analysis of the main differences between child and adult heads is made in order to model the child head. Software to compute the temperature rise related with the calculated SAR is also developed. The results are compared with results obtained by others authors, as well as with electromagnetic field exposure guidelines.

Esta dissertação está focada no estudo do espectro de absorção em fase gasosa de Porfirinas e Ftalocianinas. O estudo dessas moléculas é de grande interesse científico e tem sido tema em diversos trabalhos na literatura. São apresentados resultados para o espectro de absorção teórico das Porfirinas Base Livre (H2-Porfirina), complexada com Zinco, e complexada com Magnésio, e das Ftalocianinas Base Livre (H2-Ftalocianina) e complexada com Zinco. Espectros de absorção dos monômeros optimizados dessas moléculas são calculados com vários métodos e uma análise das transições eletrônicas é feita junto com uma discussão do modelo de Gouterman. São apresentados espectros para estruturas optimizadas de dímeros de H2-Porfirina e H2-Ftalocianina. A inclusão de efeitos térmicos no espectro dos monômeros de H2-Porfirina e H2-Ftalocianina é estudada usando dinâmicas moleculares. Após comparação entre resultados de dinâmicas clássica e ab initio, propomos novos parâmetros para o campo de força da H2-Porfirina que fornece resultados mais compatíveis, mas o mesmo não precisou ser feito para H2-Ftalocianina. Mostramos que para H2-Porfirina a inclusão de efeitos térmicos aumenta com a temperatura as forças de oscilador médias das bandas Q e gera um deslocamento das bandas para o vermelho, e para H2-Ftalocianina um aumento do desdobramento das bandas Q. Esses resultados fornecem uma explicação para observações experimentais e mostram que efeitos térmicos são importantes para uma descrição mais completa do espectro. / This work aims at studing the gas phase absorption spectrum of Porphyrins and Phthalocyanines. The study of these molecules is of immense cientific interest and has been topic for several works at the literature. Results are presented for the theoretical absorption spectrum of Free Base (H2-Porphyrin), Zinc and Magnesium Porphyrins and of Free Base (H2-Phythalocyanine) and Zinc Phthalocyanines. The absorption spectra of these molecules\' optimized monomers are calculated with several methods and eletronic transitions analysis is done together with a discussion of Gouterman model. Spectra are presented for optimized dimers of H2-Porphyrin and H2-Phythalocyanine. The inclusion of thermal effects on the H2-Porphyrin\'s and H2-Phythalocyanine\'s monomer spectra is studied through molecular dynamics. After comparing results of classical and ab initio molecular dynamics we proposed new force field parameters for H2-Porphyrin that provides more consistent results, but the same didn\'t need to be done for H2-Phythalocyanine. We showed that the inclusion of thermal effects increases with temperature the Q bands average oscillator strengths and implies in a red shift of the H2-Porphyrin bands, and increases the H2-Phythalocyanine\'s Q bands splitting. These results provide an explanation to the experimental observations and shows that thermal effects are important to a more complete description of the spectrum.

Lors de diverses opérations de maintenance, des dégradations au niveau des rotors et des organes de supportage du groupe turbo-alternateur ont pu être constatées. Celles-ci se traduisent souvent par la présence de rayures au niveau des paliers hydrodynamiques, synonymes de fortes discontinuités dans le film d'huile. C'est dans ce contexte que s'inscrivent ces travaux de thèse. L'objectif est d'avoir une meilleure compréhension et prédiction de leur impact sur le fonctionnement du palier. Pour cela, les paliers à géométrie fixe sont étudiés théoriquement et expérimentalement. L'étude théorique présente un modèle de résolution en régime thermoélastohydrodynamique (TEHD) permettant de prendre en compte les déformations introduites par les champs de pression et de température. Le développement d'un code capable de faire des calculs en régime hydrodynamique (HD) pour des paliers à géométrie fixe a été réalisé. L'étude expérimentale permet d'étudier le comportement d'un palier à deux lobes symétriques pour diverses positions et profondeurs de rayure placée sur l'arbre. Pour tous les cas, différentes configurations de charge et de vitesses sont testées, 25 au total. Les résultats obtenus pour les cas rayés permettent de mettre en avant l'importance de la profondeur de la rayure sur le comportement du palier. Pour les cas de fonctionnement réalisés, il apparaît que les champs de pression sont plus fortement impactés par la présence d'une rayure que les champs de température. Ces résultats sont comparés à ceux obtenus par le calcul avec l'utilisation d'un code interne à EDF qui permet la résolution de problèmes en régime TEHD. / During various maintenance operations in power plants, some new issues have come to light. One of these issues is the degradation of the supporting and guiding components for the rotating shafts. The degradation has resulted in scratches on bearings which leads to discontinuities of the oil film. The operator of the plant should provide a fast diagnosis of the influence of these scratches. The aim of the work is to examine these issues, to acquire a better understanding of physical phenomenon and to improve numerical predictions. Theoretical and experimental studies have been done for plain journal bearings. The numerical model is based on a thermoelastohydrodynamic (TEHD) resolution that allows to take into account solid deformations induced by the pressure and temperature fields. A computer code has been developed to solve the hydrodynamic (HD) problem. An experimental study has been performed on a two lobe journal bearing with a scratch on the rotating shaft at two scratch locations and for several scratch depth. For all of these configurations, local pressures and temperatures have been measured for different rotational speeds and applied loads. The scratch depth is one parameter that affects the most the journal bearing behavior. It influences more significantly the pressure field, with a drop of pressure near the scratch, than the temperature field. Those results have been compared to the numerical results obtained with an internal EDF software that can provide TEHD solutions.

No description available.

Several types of instability can affect the interface between two fluids. For instance, a Rayleigh-Taylor instability (or density fingering) is encountered when a heavier fluid is placed upon a lighter one in the gravity field and double diffusive instabilities can be triggered by differential diffusivity of the different species present in the fluid. In this context our work aims to understand theoretically in which way a chemical reaction can induce and influence such instabilities in a fluid initially at rest. To understand the dynamics resulting from the coupling between chemical reactions and hydrodynamical instabilities we use chemical fronts as model systems. These fronts result from the coupling between autocatalytical chemical reactions and diffusion and they allow to create a self-organized interface between the products and the reactants. As during a chemical reaction the density may vary due to solutal and thermal effects, the products and the reactants can have different densities which may trigger convection movements leading to the destabilization of the fronts. We have in particular studied the influence of the exothermicity of the reaction on the fingering of chemical fronts, focusing first on the influence of heat losses through the walls of the set-up. These leaks have a marked influence on the dynamics because they affect the temperature profiles and hence the density profiles too. We have also classified the various types of instabilities that may appear dues to solutal and thermal effects. We have found a new type of hydrodynamic instability of statically stable fronts induced by the chemical reaction. We have furthermore analyzed an isothermal model with two chemical species. If they diffuse at different rates the front can be subject to diffusive instabilities as well. We have shown that the coupling between such a diffusive instability and fingering can trigger complex dynamics. We have eventually studied the influence of an external electric field on the diffusive instabilities and on fingering underlying the possibility to destabilize otherwise stable fronts./ Différents types d'instabilités hydrodynamiques peuvent affecter les interfaces entre deux fluides comme par exemple, une instabilité de Rayleigh-Taylor (ou digitation de densité) quand un fluide plus dense se trouve placé au-dessus d'un fluide moins dense dans le champ de gravité ou des instabilités de double diffusion induites par des différences entre les diffusivités d'un soluté et de la chaleur contenus dans les fluides. Dans ce contexte, notre thèse s'attache à comprendre de manière théorique comment une réaction chimique peut influencer ces instabilités voire les générer dans un fluide initialement au repos. Pour étudier les dynamiques résultant du couplage entre réactions chimiques et instabilités hydrodynamiques, nous utilisons des systèmes modèles: les fronts chimiques de conversion résultant de la compétition entre réactions chimiques autocatalytiques et diffusion créant une interface auto-organisée entre les réactifs et les produits. Comme au cours d'une réaction chimique la densité peut varier par des effets solutaux et thermiques, les produits et les réactifs de densités différentes peuvent générer des mouvements de convection qui conduisent à la déstabilisation des fronts. Nous avons en particulier étudié l'influence de l'exothermicité de la réaction sur les instabilités de digitation de fronts chimiques, en nous focalisant dans un premier temps sur l'influence des pertes de chaleur par les parois du réacteur. Ces fuites ont un effet marqué sur les instabilitités car elles affectent les profils de température et donc les profils de densité dans le système. Nous avons également classifié les différentes instabilités qui peuvent apparaître via des changements de densité dûs à des effets thermiques et solutaux et mis en évidence un nouveau type de déstabilisation hydrodynamique de fronts statiquement stables induit par une réaction chimique. Nous avons ensuite analysé un modèle isotherme impliquant deux espèces chimiques. Si ces dernières diffusent a des vitesses différentes le front peut être sujet à une instabilité diffusive. Nous avons montré qu'un couplage entre une telle instabilité diffusive et de la digitation peut être à l'origine de dynamiques complexes. Nous avons ensuite considéré l'influence d'un champ électrique sur les instabilité diffusives et de digitation en soulignant la possibilié de déstabiliser via ce champ des fronts initialement stables.

This thesis focuses on two topics: thermal limitations of volume Bragg gratings (VBGs) employed as laser-cavity mirrors and formation of color centers in KTiOPO4 and its isomorphs. To explore the mechanisms of the thermal limitations of VBGs in high power lasers, I designed and constructed a diode-pumped, solid‑state laser with a VBG as cavity mirror that had a significantly higher absorption than what is typical. Thereby I could study the limiting thermal effects by using only moderate intra-cavity power. Additionally, I designed a computer model to numerically investigate the thermal effects in VBGs. Both the experiments and the simulations showed that the laser became successively more unstable when the power was increased. Absorption of the reflected laser beam causes broadening of the grating spectrum accompanied by decreasing diffraction efficiency. The reduced reflectivity leads to a leakage of the radiation through the grating. Moreover, the simulations showed that this increased instability was due to a reshaping of the intensity distribution profile inside the grating, which, in turn, leads to a sharp reduction of the diffraction efficiency. High-intensity visible radiation induces color centers in KTiOPO4, which can lead to severe decrease in the performance of the crystal and can cause catastrophic breakdown. The formation of color centers was investigated by measuring picosecond, blue-light induced infrared absorption (BLIIRA) in periodically-poled KTiOPO4, Rb:KTiOPO4, RbTiOPO4, KTiOAsO4 and RbTiOAsO4 through thermal lens spectroscopy using a common-path interferometer. This setup is capable of measuring absorption as low as 10-5 cm-1. The dependence of the BLIIRA signal on blue light average power and intensity as well as on the crystal temperature was studied. The results show the presence of at least two different types of color centers. A higher level of remnant absorption was observed in the phosphates compared to that of the arsenates. The largest portion of the induced absorption is attributed to photo-generated electrons and holes being self-trapped in the proximity to the Ti4+ and O2- ions, respectively, forming polaron color centers. Stabilization of these centers is aided by the presence of mobile alkali metal vacancies in the crystal. / Denna avhandling fokuserar på både volymbraggitters (VBGs) termiska begränsningar, i tillämpning som speglar i laserkaviteter, och på bildandet av färgcentra i KTiOPO4 och isomorfa kristaller. För att undersöka de termiska effekterna i VBGer som medför begränsningar på högeffektlasrar utfördes både experiment och simuleringar. För experimenten konstruerades en diod-pumpad Yb:KYW laser med ett VBG som har betydligt högre absorption än vad som är typiskt. Därmed kunde de termiska effekterna studeras vid måttliga intrakavitetseffekter. Simuleringarna bestod av två delmodeller; gitterstrukturen modelerades med överföringsmatriser och värmeflödet med en tredimensionell modell baserad på finita elementmetoden. Både experimenten och simuleringarna visade att en laser blir successivt mer instabil när den optiska effekten ökar. Absorptionen av laserstrålen i VBGt förändrade dess spektrala egenskaper, vilket i sin tur påverkade laserns stabilitet och prestanda. De huvudsakliga effekterna var en breddning av gittrets spektrum med en minskad reflektans. Simuleringarna visade även att den ökade instabiliteten berodde på en förändring av strålningens intensitetsfördelning inuti gittret, vilket accelererade reduktionen av gittrets reflekterande förmåga. I termer av den effekt som faller in mot gittret, har lasern en tydlig övre effektgräns. När den gränsen har uppnåtts leder vidare ökning av pumpeffekten i huvudsak till ökat läckage genom volymbraggittret, i stället för till ökad uteffekt hos laserstrålen. Kortvågigt synlig ljus av hög intensitet inducerar färgcentra i KTiOPO4, vilket kan leda till kraftigt reducerad transparens och kan orsaka permanent skada i kristallen. För att undersöka skapandet av dessa färgcentra mättes den termiska lins som uppstår vid blå-ljus-inducerad infraröd absorption (Eng: blue-light induced infrared absorption = BLIIRA) inducerad av blåa laserpulser vid en våglängd av 398 nm och vid pulslängder i storlek av pikosekunder i periodiskt‑polad KTiOPO4, Rb:KTiOPO4, RbTiOPO4, KTiOAsO4 och RbTiOAsO4. Den termiska linsen mättes med en metod kallad gemensam-vägsträcka-interferometer (Eng: common-path interferometer), en metod känslig nog för att mäta absorption så låg som 10-5 cm-1. Dessutom undersöktes hur nivån av BLIIRA beror på medeleffekten och intensiteten hos den blåa laserstrålen samt på kristalltemperaturen. Resultaten visar att det bildas minst två typer av färgcentra med olika livslängder. Vidare observerades en högre grad av långsamt avklingande absorption i fosfaterna jämfört med arsenaterna. Den största delen av den inducerade absorptionen tillskrivs fotogenererade elektroner och hål som ”självfångas” i närheten av Ti4+ respektive O2- joner, och bildar färgcentra av polaron karaktär. Stabilisering av dessa centra underlättas av lättrörliga alkalivakanser i kristallerna. / <p>QC 20150922</p>

In respect of autogenous and drying shrinkage and the effects of relaxation creep during the hydration cycle, roller compacted concrete in dams has to date been universally assumed to behave in the same manner as conventional mass concrete, despite notional evidence to the contrary on prototype dam structures, particularly in respect of high-paste RCC. While the results of laboratory materials testing and associated early behaviour analyses for RCC have been published, no conclusive example exists in the public domain whereby predicted behaviour is confirmed through measured behaviour on a comprehensively-instrumented prototype dam structure. In his PhD thesis, Quentin Shaw presents evidence to indicate that the early behaviour of RCC, and particularly high quality, high-paste RCC in dams, is quite different to that of CVC. Referring to instrumentation records from Wolwedans and Knellpoort dams in South Africa, Çine Dam in Turkey, Wadi Dayqah Dam in Oman and Changuinola 1 Dam in Panama, indications of less than expected shrinkage and stress relaxation creep during the hydration cycle in the constituent RCC are documented. Taking the comprehensively-instrumented and monitored Wolwedans Dam, the actual materials behaviour of the constituent RCC is evaluated through the replication of the prototype behaviour on a finite element model. Through this analysis, it is clearly demonstrated that the level of shrinkage and stress relaxation creep that would be traditionally assumed in RCC simply did not occur. In fact, the analyses suggested that no shrinkage, or creep was apparent. The reasons for the different behaviour of high-paste RCC compared to CVC are subsequently explored. With Wadi Dayqah Dam as the only example evaluated where some drying shrinkage and/or stress relaxation creep was obviously apparent, the evident susceptibility of this lean RCC mix, with a high w/c ratio, a high content of non-cementitious fines, natural gravel aggregates, a high aggregate water absorption and placement in a very dry environment, is noted. However, it is considered to be the combination of a strong aggregate skeletal structure developed through roller compaction and a low w/c ratio that results in a particularly resilience in high-paste RCC to early shrinkage and creep. It is also recognised that temperature and gravity effects in an arch dam structure will tend to limit, or even eliminate containment stresses in the critical load-carrying upper section and that this will reduce the risk and impact of stress relaxation creep. Consequently, a new understanding of the early behaviour of RCC in large dams is presented, suggesting that a high quality RCC mix in an arch dam can be designed for a cumulative shrinkage and stress relaxation creep under the hydration cycle of approximately 20 microstrain, compared with a more traditionally accepted value of between 125 and 200 microstrain. The implications of these findings on the design of large RCC dams are demonstrated to be significant, particularly in respect of RCC arch dams. In addition, suggestions are made for the requirements in respect of RCC mix design for negligible shrinkage and creep, while an approach to combine the use of field measurement with structural modelling to predict and demonstrate actual RCC behaviour is briefly discussed. / Thesis (PhD)--University of Pretoria, 2011. / Civil Engineering / unrestricted