Friction losses in valves and fittings for power-law fluids

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Febrifugine derivative antimalarial activity: quantum mechanical predictors

O desenvolvimento de linhagens resistentes de Plasmodium falciparum tem encorajado a busca por novas drogas antimalariais. A febrifugina é uma substância natural com alta atividade contra o P. falciparum que apresenta propriedade emética e toxicidade para o fígado tal que não permitem o seu uso clínico. A busca por análogos que possam ter uma performance clínica melhor é um tema de pesquisa atual. Nosso objetivo é investigar a estrutura eletrônica teórica de uma família de derivados da febrifugina empregando cálculos semi-empíricos de orbitais moleculares, procurando por índices eletrônicos que possam ajudar a modelar novos derivados mais eficientes. Os resultados teóricos mostram que para as moléculas mais seletivas existe um agrupamento dos valores de determinados índices em intervalos bem definidos. O modelo proposto para se obter alta seletividade foi testado com sucesso.

QUANTUM BROWNIAN PARTICLE AND MEMORY EFFECTS

The quantum Brownian particle, immersed in a heat bath, is described by a statistical operator whose evolution is ruled by a generalized master equation (GME). The heat bath's degrees of freedom are considered to be either white-noise or colored-noise correlated, while the GME is considered under either the Markov or non-Markov approaches. The comparisons between these considerations are fully developed, and their physical meaning is discussed.

Quasicausal expansion of the quantum Liouville propagator

The quasicausal expansion of the quantum Liouville propagator is introduced into the Weyl-Wigner picture. The zeroth-order term is shown to lead to the statistical quasiclassical method of Lee and Scully [J. Chem. Phys. 73, 2238 (1980)].

Remarks on supersymmetry of quantum systems with position-dependent effective masses

We apply the supersymmetry approach to one-dimensional quantum systems with spatially dependent mass, by including their ordering ambiguities dependence. In this way we extend the results recently reported in the literature. Furthermore, we point out a connection between these systems and others with constant masses. This is done through convenient transformations in the coordinates and wave functions.

Optical characterization of cubic AlGaN/GaN quantum wells

Cubic phase group III-nitrides were grown using RF plasma assisted Molecular Beam Epitaxy on GaAs (001) substrates. High-resolution X-ray diffraction, photoluminescence, cathodoluminescence and photoreflectance measurements were employed to characterize the structural and optical properties of GaN/AlxGa1-xN Multi Quantum Well (MQW) structures, in which both Aluminum content and well widths were varied. The observed quantized states are in agreement with first-principles based theoretical calculations.

Evaluation of grinding fluids in the grinding of a martensitic valve steel with CBN and alumina abrasives

In this paper the performances of different cutting fluids and grinding wheel types were analysed in the grinding of SAE HVN-3 workpieces. The resulting residual stress, wheel wear and roughness were evaluated. The influence of the cutting fluid jet velocity v(j) was also analysed. As a conclusion, the lubrication ability seems to be the governing factor in the cutting fluid performance. The use of CBN wheels can significantly reduce the thermal damage in grinding, leading to compressive residual stresses. The CBN wheel and the cutting oil give an optimum combination for performing this grinding operation.

Lattice discretization in quantum scattering

The utility of lattice discretization technique is demonstrated for solving nonrelativistic quantum scattering problems and specially for the treatment of ultraviolet divergences in these problems with some potentials singular at the origin in two- and three-space dimensions. This shows that the lattice discretization technique could be a useful tool for the numerical solution of scattering problems in general. The approach is illustrated in the case of the Dirac delta function potential.

Energy-transfer mechanisms and emission quantum yields in Eu3+-based siloxane-poly(oxyethylene) nanohybrids

We report the energy-transfer mechanisms and emission quantum yield measurements of sol-gel-derived Eu3+-based nanohybrids. The matrix of these materials, classified as diureasils and termed U(2000) and U(600), includes urea cross-links between a siliceous backbone and polyether-based segments of two molecular weights, 2000 and 600, respectively. These materials are full-color emitters in which the Eu3+ (5)Do --> F-7(0-4) lines merge with the broad green-blue emission of the nanoscopic matrix's backbone. The excitation spectra show the presence of a large broad band (similar to 27000-29000 cm(-1)) undoubtedly assigned to a ligand-to-metal charge-transfer state. Emission quantum yields range from 2% to 13.0% depending on the polymer molecular weight and Eu3+ concentration. Energy transfer between the hybrid hosts and the cations arises from two different and independent processes: the charge-transfer band and energy transfer from the hybrid's emitting centers. The activation of the latter mechanisms induces a decrease in the emission quantum yields (relative to undoped nanohybrids) and permits a fine-tuning of the emission chromaticity across the Comission Internacionalle d'Eclairage diagram, e.g., (x, y) color coordinates from (0.21, 0.24) to (0.39, 0.36). Moreover, that activation depends noticeably on the ion local coordination. For the diureasils with longer polymer chains, energy transfer occurs as the Eu3+ coordination involves the carbonyl-type oxygen atoms of the urea bridges, which are located near the hybrid's host emitting centers. on the contrary, in the U(600)-based diureasils, the Eu3+ ions are coordinated to the polymer chains, and therefore, the distance between the hybrid's emitting centers and the metal ions is large enough to allow efficient energy-transfer mechanisms.

GENERATING FUNCTION FOR CLEBSCH-GORDAN-COEFFICIENTS, OF THE SUQ(2) QUANTUM ALGEBRA

Some methods have been developed to calculate the su(q)(2) Clebsch-Gordan coefficients (CGC). Here we develop a method based on the calculation of Clebsch-Gordan generating functions through the use of 'quantum algebraic' coherent states. Calculating the su(q)(2) CGC by means of this generating function is an easy and straightforward task.

In situ UV-vis and EXAFS studies of ZnO quantum-sized nanocrystals and Zn-HDS formations from sol-gel route

We have pointed Out that. zinc-based particles obtained from zinc acetate sol-gel route is a mixture of quantum-sized ZnO nanoparticles, zinc acetate, and zinc hydroxide double salt (Zn-HDS). Aiming the knowledge of the mechanisms involved in the formation of ZnO and Zn-HDS phases, the thermohydrolysis of ethanolic zinc acetate solutions induced by lithium hydroxide ([LiOH]/[Zn2+] = 0.1) or water ([H2O]/[Zn2+] = 0.05) addition was investigated at different isothermal temperatures (40, 50, 60 and 70 degrees C) by in situ measurements of turbidity, UV-vis absorption spectra and extended X-ray absorption fine structures (EXAFS). Only the growth of ZnO nanoparticles was observed in sol prepared with LiOH, while a two-step process was observed in that prepared with water addition, leading the fast growth of Zn-HDS and the formation of ZnO nanoparticles at advanced stage. A mechanism of dissolution/reprecipitation governed by the water/ethanol proportion is proposed to account for relative amount of ZnO. (c) 2007 Elsevier Ltd. All rights reserved.

An application of the Element Free Galerkin Method to the analysis of quantum well structures

In order to obtain the quantum-mechanical properties of layered semicondutor structures (quantum well and superlattice structures, for instance), solutions of the Schrodinger equation should be obtained for arbitrary potential profiles. In this paper, it is shown that such problems may be also studied by the Element Free Galerkin Method.