1. Ultrasonic studies of binary liquid structure in the critical region. Theory and experiment for the 2,6-lutidine/water system. 2. Hartree-Fock calculations of electric polarizabilities of some simple atoms and molecules, and their practicality. 3. Calculation of vibrational transition probabilities in collinear atom-diatom and diatom-diatom collisions with Lennard-Jones interaction

Part 1. Many interesting visual and mechanical phenomena occur in the critical region of fluids, both for the gas-liquid and liquid-liquid transitions. The precise thermodynamic and transport behavior here has some broad consequences for the molecular theory of liquids. Previous studies in this laboratory on a liquid-liquid critical mixture via ultrasonics supported a basically classical analysis of fluid behavior by M. Fixman (e. g., the free energy is assumed analytic in intensive variables in the thermodynamics)--at least when the fluid is not too close to critical. A breakdown in classical concepts is evidenced close to critical, in some well-defined ways. We have studied herein a liquid-liquid critical system of complementary nature (possessing a lower critical mixing or consolute temperature) to all previous mixtures, to look for new qualitative critical behavior. We did not find such new behavior in the ultrasonic absorption ascribable to the critical fluctuations, but we did find extra absorption due to chemical processes (yet these are related to the mixing behavior generating the lower consolute point). We rederived, corrected, and extended Fixman's analysis to interpret our experimental results in these more complex circumstances. The entire account of theory and experiment is prefaced by an extensive introduction recounting the general status of liquid state theory. The introduction provides a context for our present work, and also points out problems deserving attention. Interest in these problems was stimulated by this work but also by work in Part 3.

Part 2. Among variational theories of electronic structure, the Hartree-Fock theory has proved particularly valuable for a practical understanding of such properties as chemical binding, electric multipole moments, and X-ray scattering intensity. It also provides the most tractable method of calculating first-order properties under external or internal one-electron perturbations, either developed explicitly in orders of perturbation theory or in the fully self-consistent method. The accuracy and consistency of first-order properties are poorer than those of zero-order properties, but this is most often due to the use of explicit approximations in solving the perturbed equations, or to inadequacy of the variational basis in size or composition. We have calculated the electric polarizabilities of H₂, He, Li, Be, LiH, and N₂ by Hartree-Fock theory, using exact perturbation theory or the fully self-consistent method, as dictated by convenience. By careful studies on total basis set composition, we obtained good approximations to limiting Hartree-Fock values of polarizabilities with bases of reasonable size. The values for all species, and for each direction in the molecular cases, are within 8% of experiment, or of best theoretical values in the absence of the former. Our results support the use of unadorned Hartree-Pock theory for static polarizabilities needed in interpreting electron-molecule scattering data, collision-induced light scattering experiments, and other phenomena involving experimentally inaccessible polarizabilities.

Part 3. Numerical integration of the close-coupled scattering equations has been carried out to obtain vibrational transition probabilities for some models of the electronically adiabatic H₂-H₂ collision. All the models use a Lennard-Jones interaction potential between nearest atoms in the collision partners. We have analyzed the results for some insight into the vibrational excitation process in its dependence on the energy of collision, the nature of the vibrational binding potential, and other factors. We conclude also that replacement of earlier, simpler models of the interaction potential by the Lennard-Jones form adds very little realism for all the complication it introduces. A brief introduction precedes the presentation of our work and places it in the context of attempts to understand the collisional activation process in chemical reactions as well as some other chemical dynamics.

Finite-Element Simulations of Earthquakes

This thesis discusses simulations of earthquake ground motions using prescribed ruptures and dynamic failure. Introducing sliding degrees of freedom led to an innovative technique for numerical modeling of earthquake sources. This technique allows efficient implementation of both prescribed ruptures and dynamic failure on an arbitrarily oriented fault surface. Off the fault surface the solution of the three-dimensional, dynamic elasticity equation uses well known finite-element techniques. We employ parallel processing to efficiently compute the ground motions in domains containing millions of degrees of freedom.

Using prescribed ruptures we study the sensitivity of long-period near-source ground motions to five earthquake source parameters for hypothetical events on a strike-slip fault (M_w 7.0 to 7.1) and a thrust fault (M_w 6.6 to 7.0). The directivity of the ruptures creates large displacement and velocity pulses in the ground motions in the forward direction. We found a good match between the severity of the shaking and the shape of the near-source factor from the 1997 Uniform Building Code for strike-slip faults and thrust faults with surface rupture. However, for blind thrust faults the peak displacement and velocities occur up-dip from the region with the peak near-source factor. We assert that a simple modification to the formulation of the near-source factor improves the match between the severity of the ground motion and the shape of the near-source factor.

For simulations with dynamic failure on a strike-slip fault or a thrust fault, we examine what constraints must be imposed on the coefficient of friction to produce realistic ruptures under the application of reasonable shear and normal stress distributions with depth. We found that variation of the coefficient of friction with the shear modulus and the depth produces realistic rupture behavior in both homogeneous and layered half-spaces. Furthermore, we observed a dependence of the rupture speed on the direction of propagation and fluctuations in the rupture speed and slip rate as the rupture encountered changes in the stress field. Including such behavior in prescribed ruptures would yield more realistic ground motions.

Fishing gear experiments in Finland

A comparison of some different European methods of estimating the numbers of fish in a lake using different fishing gear is described. The different gears used were 1. surface trawl used by night 2. bottom trawl used by day 3. trammel nets, set in the evening and lifted in the morning 4. surface seine net used by night 5. bottom seine net used by day 6. Fyke nets, emptied each morning and evening 7. gill nets, set in the evening and lifted in the morning. The most variable catches were from those gears used by day on the bottom and the least variable were those used by night at the surface. The work continued by examining the use of acoustic systems for pelagic fish stock assessment. This gear gave reasonable population estimates for pelagic fish 10m and more below the surface. The advantage of the accoustic method is that it is quick and requires little labour. Its disadvantage is that it is not possible to identify the species and so it must be supplemented by another, conventional method.

Solar flare particle propagation--comparison of a new analytic solution with spacecraft measurements

A new analytic solution has been obtained to the complete Fokker-Planck equation for solar flare particle propagation including the effects of convection, energy-change, corotation, and diffusion with ĸ_r = constant and ĸ_Ɵ ∝ r². It is assumed that the particles are injected impulsively at a single point in space, and that a boundary exists beyond which the particles are free to escape. Several solar flare particle events have been observed with the Caltech Solar and Galactic Cosmic Ray Experiment aboard OGO-6. Detailed comparisons of the predictions of the new solution with these observations of 1-70 MeV protons show that the model adequately describes both the rise and decay times, indicating that ĸ_r = constant is a better description of conditions inside 1 AU than is ĸ_r ∝ r. With an outer boundary at 2.7 AU, a solar wind velocity of 400 km/sec, and a radial diffusion coefficient ĸ_r ≈ 2-8 x 10²⁰ cm²/sec, the model gives reasonable fits to the time-profile of 1-10 MeV protons from "classical" flare-associated events. It is not necessary to invoke a scatter-free region near the sun in order to reproduce the fast rise times observed for directly-connected events. The new solution also yields a time-evolution for the vector anisotropy which agrees well with previously reported observations.

In addition, the new solution predicts that, during the decay phase, a typical convex spectral feature initially at energy T_o will move to lower energies at an exponential rate given by T_KINK = T_oexp(-t/Ƭ_KINK). Assuming adiabatic deceleration and a boundary at 2.7 AU, the solution yields Ƭ_KINK ≈ 100h, which is faster than the measured ~200h time constant and slower than the adiabatic rate of ~78h at 1 AU. Two possible explanations are that the boundary is at ~5 AU or that some other energy-change process is operative.

Tastes and odours in potable water:perception versus reality

Tastes and odours are amongst the few water quality standards immediately apparent to a consumer and, as a result, account for most consumer complaints about water quality. Although taste and odour problems can arise from a great many sources, from an operational point of view they are either ”predictable” or ”unpredictable”. The former - which include problems related to actinomycete and algal growth - have a tendency to occur in certain types of water under certain combinations of conditions, whereas the latter - typically chemical spills - can occur anywhere. Long-term control is one option for predictable problems, although biomanipulation on a large scale has had utile success. Detection and avoidance is a more practicable option for both predictable and unpredictable problems, particularly if the distribution network can be serviced from other sources. Where these are not feasible, then water treatment, typically using activated carbon, is possible. In general there is a reasonable understanding of what compounds cause taste and odour problems, and how to treat these. An efficient taste and odour control programme therefore relies ultimately on good management of existing resources. However, a number of problems lie outside the remit of water supply companies and will require more fundamental regulation of activities in the catchment.

Laser beam automatic alignment in multipass amplifier

A laser beam automatic alignment system is applied in a multipass amplifier of the SG-III prototype laser. Considering the requirements of the SG-III prototype facility, by combining the general techniques of the laser beam automatic alignment system, according to the image relayed of the pinholes in the spatial filter, and utilizing the optical position and the spatial distribution of the four pinholes of the main spatial filter in the multipass amplifier of the SG-III prototype, a reasonable and optimized scheme for automatic aligning multipass beam paths is presented. It is demonstrated on the multipass amplifier experimental system. (C) 2004 Society of Photo-Optical Instrumentation Engineers.

As garantias do processo do trabalho

Este trabalho se propõe a uma releitura da atual concepção do Direito Processual do Trabalho, seus institutos, princípios e regras. A partir da constatação da autonomia do processo do trabalho e da inaptidão de seus mecanismos para a realização dos direitos materiais subjacentes, passam a ser diagnosticados fatores que o distanciam dos valores constitucionais e das garantias processuais fundamentais reconhecidas nos textos supranacionais, para a construção de principiologia própria e coerente com a Teoria Geral do Processo. Destacadas as seis garantias processuais fundamentais, quais sejam (i) tribunal competente; (ii) acesso à justiça; (iii) órgão julgador imparcial; (iv) ampla possibilidade de participação no processo; (v) prazo razoável e (vi) efetividade da decisão, cada uma passa a ser apresentada inicialmente sob uma ótica abstrata e geral, para, em seguida, serem considerados os pontos em que se chocam com as práticas processuais trabalhistas. Sobre tais premissas são desenvolvidas teses em prol da construção de um justo processo do trabalho.

图像处理在光路自动准直系统中的应用

光路自动准直系统应用于惯性约束聚变的高功率激光装置中的光束自动调整。图像处理是光路自动准直的关键技术之一。针对神光Ⅲ原型装置，结合阈值化、重心法、中值滤波和圆拟合等多种不同的图像处理方法设计了一套合理的准直方案，并且在模拟实验平台上进行了实验验证。实验结果表明，光路自动准直系统能够在15min之内顺利完成光路的自动调整，光束近场调整精度优于近场光斑的±0．5％，光束远场调整精度≤±0．3″，满足了原型装置的总体要求。

A execução por quantia certa em face dos entes públicos: um estudo sob a perspectiva do direito a execução das decisões judiciais

Este estudo tem como objetivo analisar a disciplina da execução por quantia certa contra os entes públicos no Direito brasileiro e sua compatibilidade com o direito à execução das decisões judiciais. Inicialmente, buscou-se definir o conteúdo do direito à execução das decisões judiciais. Posteriormente, foi analisado o direito francês, com o escopo de comparar esse sistema com o vigente no Brasil. Também foram objeto de nossa análise os fundamentos da execução contra os entes públicos, como a igualdade, separação de poderes, impenhorabilidade dos bens públicos e interesse público, tendo concluído que apenas o primeiro é idôneo à justificar a ausência de poderes sub-rogatórios do juiz sobre o patrimônio estatal. Por fim, analisamos as regras que compõem a execução contra os entes públicos no Brasil, em especial aquelas introduzidas pela Emenda Constitucional n. 62 de 2009. Estes dispositivos, em sua maioria, são violadores do direito à execução das decisões judiciais, na medida em que não permitem o cumprimento das sentenças em um tempo razoável, como ocorre com o art. 97, 1, do ADCT.

Strong visible up-conversion emissions and thermometric applications of Er3+-Yb3+ codoped Al2O3 prepared by the sol-gel method

The Er3+-Yb3+ codoped Al2O3 has been prepared by the sol-gel method using the aluminium isopropoxide [Al(OC3H7)(3)]-derived Al2O3 sols with addition of the erbium nitrate [Er(NO3)(3) center dot 5H(2)O] and ytterbium nitrate [Yb(NO3)(3) center dot 5H(2)O]. The phase structure, including only two crystalline types of doped Al2O3 phases, theta and gamma, was obtained for the 1 mol% Er3+ and 5 mol% Yb3+ codoped Al2O3 at the sintering temperature of 1,273 K. By a 978 nm semiconductor laser diodes excitation, the visible up-conversion emissions centered at about 523, 545, and 660 nm were obtained. The temperature dependence of the green up-conversion emissions was studied over a wide temperature range of 300-825 K, and the reasonable agreement between the calculated temperature by the fluorescence intensity ratio (FIR) theory and the measured temperature proved that Er3+-Yb3+ codoped Al2O3 plays an important role in the application of high temperature sensor.

Spectroscopic and thermal properties of short wavelength metal (II) complexes containing alpha-isoxazolylazo-beta-diketones as co-ligands

Two new azo dyes of alpha-isoxazolylazo-beta-dilcetones and their Ni(II) and Cu(II) complexes with blue-violet light wavelength were synthesized using a coupling component, different diazo components and metal (II) ions (Ni2+ and Cu2+). Based on the elemental analysis, MS spectra and FT-IR spectral analyses, azo dyes were unequivocally shown to exist as hydrazoketo and azoenol forms which were respectively obtained from the solution forms and from the solid forms. The action of sodium methoxide (NaOMe) on azo dyes in solutions converts hydrazoketo form into azoenol form, so azo dyes are coordinated with metal (II) ions as co-ligands in the azoenol forms. The solubility of all the compounds in common organic solvents such as 2,2,3,3-tetrafluoro-1-propanol (TFP) or chloroform (CHCl3) and absorption properties of spin-coating thin films were measured. The difference of absorption maxima from the complexes to their ligands was discussed. In addition, the TG analysis of the complexes was also determined, and their thermal stability was evaluated. It is found that these new metal (II) complexes had potential application for high-density digital versatile disc-recordable (HD-DVD-R) system due to their good solubility in organic solvents, reasonable and controllable absorption spectra in blue-violet light region and high thermal stability. (c) 2004 Elsevier B.V. All rights reserved.

光纤耦合波长复用的全息光盘存储记录

详细描述了用光纤耦合、波长复用的全息光盘仔储光路．指出在全息光盘驱动器即将市场化的今天．由于其光路简单、光学元件较少、性价比高．很有可能成为新的全息光盘驱动器的核心技术之一。由于短波长单模光纤及其双波长光纤分束器件的要求比较高．而用多模光纤进行准单模输出调整．以及用分光棱镜进行光束的分光．同时用对双波长敏感的光致聚合物材料进行存储．其光谱灵敏度均匀．光谱范围互不重叠。实验结果表明．光路结构合理．存储效果良好。

Argilas pilarizadas: uma tecnologia limpa na reação de isomerização do óxido de estireno

Neste trabalho, fracionou-se e tratou-se a argila Brasgel. Esta argila foi pilarizada em vários estágios de facionamento e/ou tratamento com 5 meq de Al / g de argila: (i) Al-PILC, a argila passou por todos os estágios de fracionamento e tratamento (ARG), (ii) Al-PILCFe, a argila não passou pela etapa de retirada de Fe livre (ARGFe) e (iii) Al-PILCFe/silte, a argila não passou pelas etapas de retirada de silte e Fe livre (ARGFE/silte). Em análise por DRX observou-se que as Al-PILCs apresentaram uma distância basal maior que as argilas de partida. A análise textural indicou que as argilas Al-PILCs e ARGs são materiais mesoporosos, com poros do tipo fenda estreita e do tipo fenda, respectivamente. Além disso, as Al-PILCs apresentaram área superficial razoavelmente maior que as ARGs correspondentes. Outras análises feitas nas argilas foram: teor de Si, Fe e Al; CTC; FTIR; TGA e TGD. As argilas Brasgel pilarizadas foram usadas como catalisador na reação de isomerização do óxido de estireno em hexano sob refluxo. A reação foi seletiva na formação de fenilacetaldeído. As argilas Al-PILCFe e Al-PILCFe/silte apresentaram melhor desempenho catalítico (100 % de conversão em 20 min de reação). Assim, as argilas Brasgel pilarizadas se apresentaram como uma Tecnologia Limpa na reação de isomerização do óxido de estireno ao fenilacetaldeído. Palavras-chave: Desenvolvimento Sustentável. Tecnologia Limpa. Química Verde. Argilas Pilarizadas. Isomerização de Epóxidos.

Sistemas deposicionais aptianos da margem sudeste da Bacia Potiguar

A deposição aptiana da margem continental brasileira é caracterizada por dois elementos principais: 1) a presença de evaporitos (halita e/ou anidrita) num ambiente definido como lago-mar (de acordo com HSÜ, 1987); e 2) uma configuração tectonossedimentar do tipo sag. A chegada do mar às bacias, antes puramente continentais, é um evento que afeta toda a margem continental do Brasil, bem como tem ocorrência global. A sua presença nas bacias da margem equatorial , em particular, na Bacia Potiguar, possui um forte relacionamento com a existência de petróleo e gás (Bertani et al., 1989). A margem sudeste da Bacia Potiguar possui um razoável cobertura sísimica tanto 2D como 3D. As unidades estratigráficas compõe esta porção da bacia são a Formação Pendência, na base, a Formação Alagamar, a Formação Açu e no topo, a Formação Jandaíra. A Formação Pendência, na realidade mais um grupo do que formação, engloba as rochas depositadas na fase riftee da bacia (Della Favera et al., 1994). A Formação Alagamar envolve os sedimentos depositados no Aptiano, os quais estarão no foco deste trabalho; é formada por três membros: Upanema, Camadas Ponta de Tubarão e Galinhos (Della Favera, 1990). A Formação Açu, do Cretáceo Superior, separa-se discordantemente da seção da Formação Alagamar e é formada principalmente por arenitos fluviais. Esta formação transiciona para a Formação Jandaíra, denatureza carbonática, que constitui o topo da sequência sedimentar. Neste trabalho serão definidos os sistemas deposicionais e respectivos controles da sequência aptiana ao longo da borda sudeste da Bacia Potiguar a partir da identificação de eletrofácies e sismofácies. Sendo assim, nesta dissertação são mostradas as sequências de 3 e 4 ordem que representam, em conjunto, a Fm. Alagamar. Foram identificadas, em perfis elétricos de diferentes poços na área de estudo pelo menos 6 sequências de 4 ordem e 3 sequências de 3 ordem, que também foram identificadas em seções sísmicas arbitrária de direção SW-NE e SE-NW interligando os poços de etudo. A partir da análise dos dados e sequências identificadas, a reconstituiçãopaleoambiental apontou para ambiente de borda de lago (lago-mar) próxima a escarpa de falha, com depósitos de leques aluviais a delta de rios entrelaçados, praias com tempestitosareno-calcíferos, laguna salgada com formação de estromatólitos e eventuais solos carbonáticos. Sendo assim, as sequências de 3 ordem identificadas representariam cada um dos membros da Fm. Alagamar (Mb. Upanema, Mb. Ponta de Tubarão e Mb. Galinhos, da base para o topo). A correlação das sequências de 4 ordem identificadas pode ser aplicada no rastreamento de corpos arenosos, reservatórios de petróleo nessa porção da bacia.

As razões do direito: um estudo da razão pública a partir do modelo liberal-igualitário de John Rawls

Em 1993, John Rawls, notável filósofo e professor da distinta Harvard University, publicou seu Political Liberalism, um livro em que pela primeira vez sintetiza sistematicamente o conceito de razão pública, uma ideia chave de sua teoria da justiça como equidade (justice as fairness). Segundo Rawls, a razão pública consiste fundamentalmente no modo e conteúdo adequados ao debate e à fundamentação de escolhas essenciais de justiça no espaço público de uma democracia constitucional. Nesse sentido, Rawls advoga que o único meio razoável de justificação da coerção estatal reside no reconhecimento e/ou obtenção de consensos (overlapping consensus) em relação às escolhas essenciais de uma sociedade democrática, o que só é possível se atores públicos e privados se despojarem de suas respectivas doutrinas filosóficas ou morais abrangentes ao debater e decidir tais questões essenciais de justiça. A presente dissertação tem por objetivo analisar a proposta de razão pública de Rawls, dentro do contexto de sua teoria da justiça como equidade, propondo-se a verificar se o pensamento rawlsiano procede no contexto jurídico-filosófico da pós-modernidade e se a sua teoria pode ser concretamente aplicada aos ordenamentos jurídicos contemporâneos, em especial no que tange ao conteúdo e pleno exercício da liberdade religiosa pelos cidadãos de um estado constitucional democrático.