Experimental and theoretical developments in extended x-ray absorption fine structure (EXAFS) spectroscopy

To obtain accurate information from a structural tool it is necessary to have an understanding of the physical principles which govern the interaction between the probe and the sample under investigation. In this thesis a detailed study of the physical basis for Extended X-ray Absorption Fine Structure (EXAFS) spectroscopy is presented. A single scattering formalism of EXAFS is introduced which allows a rigorous treatment of the central atom potential. A final state interaction formalism of EXAFS is also discussed. Multiple scattering processes are shown to be significant for systems of certain geometries. The standard single scattering EXAFS analysis produces erroneous results if the data contain a large multiple scattering contribution. The effect of thermal vibrations on such multiple scattering paths is also discussed. From symmetry considerations it is shown that only certain normal modes contribute to the Debye-Waller factor for a particular scattering path. Furthermore, changes in the scattering angles induced by thermal vibrations produces additional EXAFS components called modification factors. These factors are shown to be small for most systems.

A study of the physical basis for the determination of structural information from EXAFS data is also presented. An objective method of determining the background absorption and the threshold energy is discussed and involves Gaussian functions. In addition, a scheme to determine the nature of the scattering atom in EXAFS experiments is introduced. This scheme is based on the fact that the phase intercept is a measure of the type of scattering atom. A method to determine bond distances is also discussed and does not require the use of model compounds or calculated phase shifts. The physical basis for this method is the absence of a linear term in the scattering phases. Therefore, it is possible to separate these phases from the linear term containing the distance information in the total phase.

Segregation: theoretical approach. an empirical analysis of gender segregation in undergraduate studies at the University of the Basque Country.

The aim of this study is to analyze the gender segregation in undergraduate studies in the University from Basque Country (UPV/EHU). We use data from UPV/EHU for the period 2003-2013. We focus on the period from 2003 to 2013 to analyze the changes in the segregation over ten years. We analyze the tendencies of the men and the women inside undergraduate studies. Undergraduate studies are decomposed into five fields: Legal and social sciences, experimental sciences, engineering, arts and humanities, and health sciences. We draw segregation curves and compute the Gini segregation index within the Lorenz approach. Our results show that the gender segregation in undergraduate studies in the UPV/EHU has decreased from 2003 to 2013.

Theoretical investigation of nonvolatile holographic storage in doubly doped lithium niobate crystals

We have studied theoretically the inherent mechanisms of nonvolatile holographic storage in doubly doped LiNbO3 crystals. The photochromic effect of doubly doped LiNbO3 crystals is discussed, and the criterion for this effect is obtained through the photochromism-bleach factor a = S(21)gamma(1)/S(11)gamma(2) that we define. The two-center recording and fixing processes are analytically discussed with extended Kukhtarev equations, and analytical expressions for recorded and fixed steady-state space-charge fields as well as temporal behavior during the fixing process are obtained. The effects of microphysical quantities, the macrophotochromic effect on fixing efficiency, and recorded and fixed steady-state space-charge fields, are discussed analytically and numerically. (C) 2002 Optical Society of America.

A search for fractionally charged particles in cosmic rays and a theoretical interpretation of the results

An array of two spark chambers and six trays of plastic scintillation counters was used to search for unaccompanied fractionally charged particles in cosmic rays near sea level. No acceptable events were found with energy losses by ionization between 0.04 and 0.7 that of unit-charged minimum-ionizing particles. New 90%-confidence upper limits were thereby established for the fluxes of fractionally charged particles in cosmic rays, namely, (1.04 ± 0.07)x10^-10 and (2.03 ± 0.16)x10^-10 cm^-2sr^-1sec^-1 for minimum-ionizing particles with charges 1/3 and 2/3, respectively.

In order to be certain that the spark chambers could have functioned for the low levels of ionization expected from particles with small fractional charges, tests were conducted to estimate the efficiency of the chambers as they had been used in this experiment. These tests showed that the spark-chamber system with the track-selection criteria used might have been over 99% efficient for the entire range of energy losses considered.

Lower limits were then obtained for the mass of a quark by considering the above flux limits and a particular model for the production of quarks in cosmic rays. In this model, which is one involving the multi-peripheral Regge hypothesis, the production cross section and a corresponding mass limit are critically dependent on the Regge trajectory assigned to a quark. If quarks are "elementary'' with a flat trajectory, the mass of a quark can be expected to be at least 6 ± 2 BeV/c². If quarks have a trajectory with unit slope, just as the existing hadrons do, the mass of a quark might be as small as 1.3 ± 0.2 BeV/c². For a trajectory with unit slope and a mass larger than a couple of BeV/c², the production cross section may be so low that quarks might never be observed in nature.

I. Electronic states of heavily-doped molecular crystals--naphthalene. I. Theoretical. II. Experimental. II. Lowest singlet and triplet excited states of pyrazine

PART I

The energy spectrum of heavily-doped molecular crystals was treated in the Green’s function formulation. The mixed crystal Green’s function was obtained by averaging over all possible impurity distributions. The resulting Green’s function, which takes the form of an infinite perturbation expansion, was further approximated by a closed form suitable for numerical calculations. The density-of-states functions and optical spectra for binary mixtures of normal naphthalene and deuterated naphthalene were calculated using the pure crystal density-of-state functions. The results showed that when the trap depth is large, two separate energy bands persist, but when the trap depth is small only a single band exists. Furthermore, in the former case it was found that the intensities of the outer Davydov bands are enhanced whereas the inner bands are weakened. Comparisons with previous theoretical calculations and experimental results are also made.

PART II

The energy states and optical spectra of heavily-doped mixed crystals are investigated. Studies are made for the following binary systems: (1) naphthalene-h₈ and d₈, (2) naphthalene--h₈ and αd₄, and (3) naphthalene--h₈ and βd₁, corresponding to strong, medium and weak perturbations. In addition to ordinary absorption spectra at 4˚K, band-to-band transitions at both 4˚K and 77˚K are also analyzed with emphasis on their relations to cooperative excitation and overall density-of-states functions for mixed crystals. It is found that the theoretical calculations presented in a previous paper agree generally with experiments except for cluster states observed in system (1) at lower guest concentrations. These features are discussed semi-quantitatively. As to the intermolecular interaction parameters, it is found that experimental results compare favorably with calculations based on experimental density-of-states functions but not with those based on octopole interactions or charge-transfer interactions. Previous experimental results of Sheka and the theoretical model of Broude and Rashba are also compared with present investigations.

PART III

The phosphorescence, fluorescence and absorption spectra of pyrazine-h₄ and d₄ have been obtained at 4˚K in a benzene matrix. For comparison, those of the isotopically mixed crystal pyrazine-h₄ in d₄ were also taken. All these spectra show extremely sharp and well-resolved lines and reveal detailed vibronic structure.

The analysis of the weak fluorescence spectrum resolves the long-disputed question of whether one or two transitions are involved in the near-ultraviolet absorption of pyrazine. The “mirror-image relationship” between absorption and emission shows that the lowest singlet state is an allowed transition, properly designated as ¹B_3u ← ¹A_1g. The forbidden component ¹B_2g, predicted by both “exciton” and MO theories to be below the allowed component, must lie higher. Its exact location still remains uncertain.

The phosphorescence spectrum when compared with the excitation phosphorescence spectra, indicates that the lowest triplet state is also symmetry allowed, showing a strong 0-0 band and a “mirror-image relationship” between absorption and emission. In accordance with previous work, the triplet state is designated as ³B_3u.

The vibronic structure of the phosphorescence spectrum is very complicated. Previous work on the analysis of this spectrum all concluded that a long progression of v_6a exists. Under the high resolution attainable in our work, the supposed v_6a progression proves to have a composite triplet structure, starting from the second member of the progression. Not only is the v_9a hydrogen-bending mode present as shown by the appearance of the C-D bending mode in the d₄ spectrum, but a band of 1207 cm^-1 in the pyrazine in benzene system and 1231 cm^-1 in the mixed crystal system is also observed. This band is assigned as 2v_6b and of a_1g symmetry. Its anonymously strong intensity in the phosphorescence spectrum is interpreted as due to the Fermi resonance with the 2v_6a and v_9a band.

To help resolve the present controversy over the crystal phosphorescence spectrum of pyrazine, detailed vibrational analyses of the emission spectra were made. The fluorescence spectrum has essentially the same vibronic structure as the phosphorescence spectrum.

Transferência de renda e capital portador de juros: uma insidiosa captura

Esta dissertação tem como objeto de estudo a relação entre capital portador de juros e programas de transferência de renda na atualidade. O objetivo pretendido é a análise da dinâmica de organização desta forma de capital e seus desdobramentos na contemporaneidade, bem como os impactos e determinações impostas às políticas sociais em tempos de financeirização do capital. Partimos da hipótese de que os programas de transferência de renda contribuem para o processo de contra-reforma das políticas sociais, tanto pela focalização preconizada como pela priorização orçamentária, em detrimento dos demais programas e projetos da assistência social, além de permitirem a remuneração do capital portador de juros por meio dos recursos que destinam às instituições bancárias. A pesquisa realizada utilizou-se de análise documental e teórica com base na tradição marxista, buscando analisar criticamente as configurações das políticas sociais na atualidade e o papel das transferências de renda. Buscamos ainda analisar o orçamento público no âmbito federal referente à Seguridade Social e, em particular, aos programas de transferência de renda no âmbito da Assistência Social. Escolhemos estudar o orçamento da Renda Mensal Vitalícia, o Benefício de Prestação Continuada e o Programa Bolsa-Família, entre os anos de 2006 e 2009, analisando os recursos que estes destinam às instituições bancárias que operacionalizam o repasse dos benefícios. O resultado da pesquisa demonstrou que os programas de transferência de renda são estratégias de contra-reformar as políticas sociais ao incentivar o processo de assistencialização da Seguridade Social visto que apresentam um aumento contínuo e substancial no âmbito orçamentário e ao operarem com a seletividade do atendimento aos mais pobres na contramão dos princípios fundamentais presentes no texto constitucional. São ainda mecanismos de alimentação do capital portador de juros ao repassarem consideráveis somas de recursos para as instituições bancárias e inserirem a classe trabalhadora pobre no mundo das finanças.

Theoretical investigation of turbulent boundary layer over a wavy surface

The important features of the two-dimensional incompressible turbulent flow over a wavy surface of wavelength comparable with the boundary layer thickness are analyzed.

A turbulent field method using model equation for turbulent shear stress similar to the scheme of Bradshaw, Ferriss and Atwell (1967) is employed with suitable modification to cover the viscous sublayer. The governing differential equations are linearized based on the small but finite amplitude to wavelength ratio. An orthogonal wavy coordinate system, accurate to the second order in the amplitude ratio, is adopted to avoid the severe restriction to the validity of linearization due to the large mean velocity gradient near the wall. Analytic solution up to the second order is obtained by using the method of matched-asymptotic-expansion based on the large Reynolds number and hence the small skin friction coefficient.

In the outer part of the layer, the perturbed flow is practically "inviscid." Solutions for the velocity, Reynolds stress and also the wall pressure distributions agree well with the experimental measurement. In the wall region where the perturbed Reynolds stress plays an important role in the process of momentum transport, only a qualitative agreement is obtained. The results also show that the nonlinear second-order effect is negligible for amplitude ratio of 0.03. The discrepancies in the detailed structure of the velocity, shear stress, and skin friction distributions near the wall suggest modifications to the model are required to describe the present problem.

Experimental and theoretical studies of the electrothermal instability in a nonequilibrium plasma

Experimental and theoretical studies have been made of the electrothermal waves occurring in a nonequilibrium MHD plasma. These waves are caused by an instability that occurs when a plasma having a dependence of conductivity on current density is subjected to crossed electric and magnetic fields. Theoretically, these waves were studied by developing and solving the equations of a steady, one-dimensional nonuniformity in electron density. From these nonlinear equations, predictions of the maximum amplitude and of the half width of steady waves could be obtained. Experimentally, the waves were studied in a nonequilibrium discharge produced in a potassium-seeded argon plasma at 2000°K and 1 atm. pressure. The behavior of such a discharge with four different configurations of electrodes was determined from photographs, photomultiplier measurements, and voltage probes. These four configurations were chosen to produce steady waves, to check the stability of steady waves, and to observe the manifestation of the waves in a MHD generator or accelerator configuration.

Steady, one-dimensional waves were found to exist in a number of situations, and where they existed, their characteristics agreed with the predictions of the steady theory. Some extensions of this theory were necessary, however, to describe the transient phenomena occurring in the inlet region of a discharge transverse to the gas flow. It was also found that in a discharge away from the stabilizing effect of the electrodes, steady waves became unstable for large Hall parameters. Methods of prediction of the effective electrical conductivity and Hall parameter of a plasma with nonuniformities caused by the electrothermal waves were also studied. Using these methods and the values of amplitude predicted by the steady theory, it was found that the measured decrease in transverse conductivity of a MHD device, 50 per cent at a Hall parameter of 5, could be accounted for in terms of the electrothermal instability.

As competências legislativas na Constituição de 1988: parâmetros para sua interpretação e para a solução de seus conflitos

O presente estudo procura examinar criticamente a forma como as competências legislativas são interpretadas no Brasil. Em especial, pretende-se demonstrar que o tema pode e deve se beneficiar das modernas técnicas e instrumentos desenvolvidos pela dogmática do Direito Constitucional contemporâneo. O trabalho se estrutura em três partes. Na Primeira Parte, serão expostas algumas premissas teóricas sobre a interpretação constitucional, o federalismo e a sindicabilidade judicial das competências, que nortearão o desenvolvimento do estudo. Na Segunda Parte, examinam-se os processos de qualificação das leis e de interpretação das competências legislativas. A partir do esboço de uma teoria das competências legislativas, será defendida a aplicação de parâmetros segundo os quais, em princípio, todos os dispositivos de competência devem ser interpretados da forma mais ampliativa possível, sendo as eventuais restrições, impostas por outras regras de competência, consideradas e justificadas argumentativamente. Em sua Terceira Parte, e última, o estudo identificará o fenômeno dos conflitos de competências legislativas em geral, esquecidos pela doutrina brasileira , examinando, na sequência, alguns critérios para sua solução. Afastada a possibilidade de recurso à supremacia do direito federal e ao princípio da subsidiariedade, bem como a preferências de mérito, serão desenvolvidos dois parâmetros formais e um material para a solução das inconsistências insolúveis entre competências.

Diálogo institucional e direito à saúde

O trabalho busca analisar os problemas envolvendo a efetivação do direito à saúde no Brasil, os conflitos alocativos subjacentes à temática e o papel das instituições representativas, do Judiciário e da sociedade civil neste processo. Pretende-se reafirmar a importância da proteção do direito à saúde e, ao mesmo tempo, criticar uma certa euforia doutrinária e jurisprudencial que se instalou nos últimos anos e passou a compreender o Judiciário como o último guardião das promessas constitucionais não cumpridas pelos ramos representativos. O trabalho analisa as experiências constitucionais de países que não apostam no dogma da supremacia judicial e tentam conciliar a revisão judicial com mecanismos mais democráticos. A partir daí propõe o marco teórico das teorias do diálogo institucional como uma alternativa menos unilateral para enfrentar os desafios desencadeados no campo sanitário. No trabalho enfatiza-se a importância pelas preocupações com a efetividade da constituição, mas propõe-se uma reflexão sobre qual seria a melhor alternativa para tanto, chegando-se à conclusão contra-intuitiva de que talvez o caminho mais eficaz passe por um controle judicial fraco, que não despreze as potencialidades do Direito, mas que aposte mais na democracia e na interação sinérgica entre os ramos representativos e a sociedade civil.

Theoretical investigations of experimental gravitation

This thesis has two basic themes: the investigation of new experiments which can be used to test relativistic gravity, and the investigation of new technologies and new experimental techniques which can be applied to make gravitational wave astronomy a reality.

Advancing technology will soon make possible a new class of gravitation experiments: pure laboratory experiments with laboratory sources of non-Newtonian gravity and laboratory detectors. The key advance in techno1ogy is the development of resonant sensing systems with very low levels of dissipation. Chapter 1 considers three such systems (torque balances, dielectric monocrystals, and superconducting microwave resonators), and it proposes eight laboratory experiments which use these systems as detectors. For each experiment it describes the dominant sources of noise and the technology required.

The coupled electro-mechanical system consisting of a microwave cavity and its walls can serve as a gravitational radiation detector. A gravitational wave interacts with the walls, and the resulting motion induces transitions from a highly excited cavity mode to a nearly unexcited mode. Chapter 2 describes briefly a formalism for analyzing such a detector, and it proposes a particular design.

The monitoring of a quantum mechanical harmonic oscillator on which a classical force acts is important in a variety of high-precision experiments, such as the attempt to detect gravitational radiation. Chapter 3 reviews the standard techniques for monitoring the oscillator; and it introduces a new technique which, in principle, can determine the details of the force with arbitrary accuracy, despite the quantum properties of the oscillator.

The standard method for monitoring the oscillator is the "amplitude- and-phase" method (position or momentum transducer with output fed through a linear amplifier). The accuracy obtainable by this method is limited by the uncertainty principle. To do better requires a measurement of the type which Braginsky has called "quantum nondemolition." A well-known quantum nondemolition technique is "quantum counting," which can detect an arbitrarily weak force, but which cannot provide good accuracy in determining its precise time-dependence. Chapter 3 considers extensively a new type of quantum nondemolition measurement - a "back-action-evading" measurement of the real part X₁ (or the imaginary part X₂) of the oscillator's complex amplitude. In principle X₁ can be measured arbitrarily quickly and arbitrarily accurately, and a sequence of such measurements can lead to an arbitrarily accurate monitoring of the classical force.

Chapter 3 describes explicit gedanken experiments which demonstrate that X₁ can be measured arbitrarily quickly and arbitrarily accurately, it considers approximate back-action-evading measurements, and it develops a theory of quantum nondemolition measurement for arbitrary quantum mechanical systems.

In Rosen's "bimetric" theory of gravity the (local) speed of gravitational radiation v_g is determined by the combined effects of cosmological boundary values and nearby concentrations of matter. It is possible for v_g to be less than the speed of light. Chapter 4 shows that emission of gravitational radiation prevents particles of nonzero rest mass from exceeding the speed of gravitational radiation. Observations of relativistic particles place limits on v_g and the cosmological boundary values today, and observations of synchrotron radiation from compact radio sources place limits on the cosmological boundary values in the past.

Theoretical model for a periodically driven semiconductor laser subject to optical feedback from a microcantilever

We propose a theoretical model for analyzing the dynamics of a periodically driven semiconductor laser subject to optical feedback from a microcantilever. We numerically investigate the temporal evolution of the light intensity of the semiconductor laser, and we show the interspikes of the light intensity. These interspikes of light intensity are also demonstrated in our experiment. The validity of the theoretical model is verified. The observed phenomenon has a potential application for resonant sensing. (C) 2008 Optical Society of America.

O Procedimento Recursal e as Garantias Fundamentais do Processo: a Colegialidade no Julgamento da Apelação

O presente trabalho tem por objetivo analisar o julgamento colegiado dos recursos nos Tribunais de segunda instância, à luz das razões teóricas subjacentes à colegialidade e das garantias fundamentais do processo. Após a exposição das finalidades com que, em abstrato, a lei processual institui um órgão judicial colegiado para o julgamento dos recursos (i) reforço da cognição judicial, (ii) garantia de independência dos julgadores e (iii) contenção do arbítrio individual , é feita a análise pormenorizada das sucessivas etapas de que se compõe o procedimento recursal ordinário da apelação, conforme a disciplina prevista nas leis federais e em disposições regimentais, como a distribuição dos recursos, o papel do relator, a figura do revisor, a pauta da sessão de julgamento, o regime da sustentação oral, a mecânica da deliberação colegiada, a atividade de redação do acórdão e a intimação das partes quanto ao teor da decisão, a fim de identificar os pontos em que o regime formal do julgamento dos recursos termina por revelar um descompasso com as premissas por que deveria se guiar. Em todo o trabalho, o marco teórico utilizado deita raízes na concepção democrática do direito processual civil, fundada na máxima eficácia das garantias fundamentais do processo previstas na Constituição Federal de 1988.