855 resultados para Rietveld refinement
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Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)
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PbMg1/3Nb2/3O3 (PMN) prepared by organic solution of citrates was analyzed by the Rietveld method to determine the influence of seeds and dopants on the perovskite and pyrochlore phase formation. It was observed that pyrochlore phase formation increases with an increase in calcination time when no additives are included during the preparation. It was also observed that a greater amount of perovskite phase appeared in doped or seeded samples. The fraction of perovskite phase increased from 88 mol % in pure sample to ∼95 mol % in doped and seeded samples calcined at 800°C for 1 h. It is clear that the addition of dopants or seeds during PMN preparation can enhance the formation of perovskite phase.
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The crystal structure of the Aurivillius compound Bi2BaTa2O9 prepared via the chemical route was determined by direct methods using EXPO97, and refined using the Rietveld method with conventional X-ray diffraction data. The structure was found to be tetragonal (space group I4/mmm, number 139) and Z = 2, isomorphic of the Bi2BaNb2O9 reported by Blake and co-workers in the literature (1997). Two refinements were performed using the two asymmetry functions of DBWS-9807 (release 20/May/99). The unit cell for each case are: a = 3.932 22(6) Å, c = 25.5053(6) Å (RA) and a = 3.93250(7) Å, c = 25.5069(6) Å (RCF). The differences for atom positions, interatomic distances and angles are in the range of one standard deviation. Final agreements factors are: Rwp = 7.97%, S = 1.84, RBragg = 4.28%(RA), Rwp = 7.98%, S = 1.84, RBragg = 4.30% (RCF). The occupancies of Ba and Bi in site 2b were refined but constrained to have their summation equal to 1.00. The same constraints were applied to the Ba and Bi of the 4e site. The results show that on site 2b there are 70% of Ba and 30% of Bi and on the site 4e there are 82% of Bi and 18% of Ba. The charge equilibrium is maintained for one standard deviation of the site occupancies. © 2000 International Centre for Diffraction Data.
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Lead zirconate titanate powder, with Zr/Ti ratio of 50/50 was prepared by Pechini method after adding up to 10,0 mol% of Ba +2 and Sr +2 ions. Tetragonal phase is favored by the increase of barium and strontium concentration in the LiNbO 3 crystal lattice. The ratio c/a for tetragonal phase increases with the content of Ba +2 and Sr +2.
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This paper presents the gravity survey refinement of the Paraíba do Sul river valley, east region of São Paulo state, by acquisition of 646 gravity stations. Further than the traditional Free-Air and Bouguer corrections, it was necessary to apply the Terrain Correction due the proximity of the Mantiqueira and Mar mountain ranges. An enhanced understanding of Taubaté Basin structural framework was the main objetive of this work. As result, we present the Bouguer Gravity Map of the east region of São Paulo State and the Residual Bouguer Gravity Map generated by Upward Continuation and High-pass filtering. The 2D Gravity Modeling was applied in 4 sections, using bi-dimensional models for the bodies that produced the anomalies (Talwani Method). After integrating the gravity data with the interpretation of 11 seismic sections, it was possible to delineate the Taubate Basin structural framework, which shows an utmost sedimentary thickness of 800 m in the depocenters. It was also interpreted an ultramaphic alkaline plug in the subsurface of Caçapava city.
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Polymeric precursor solution (Pechini method) was used to deposit LiNbO 3 thin films by spin-coating on (100) silicon substrates. X-ray diffraction data of thin films showed that the increase of oxygen flow promotes a preferred orientation of (001) LiNbO 3 planes parallel to the substrate surface. Surface roughness and grain size, observed by atomic force microscopy, change also with oxygen flow. © 2002 Taylor & Francis.
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Different (Sn,Ti)O2 compositions were sintered at 1450 °C for 2 h with the purpose of investigating their sintering and mass transport properties. Highly dense ceramics were obtained and their structural properties studied by X-ray diffraction and scanning electron microscopy. The changes in lattice parameters were analyzed by the Rietveld method and two mass transport mechanisms were observed during sintering in different temperature ranges, evidenced by the linear shrinkage rate as a function of temperature. The effect of the concentration of TiO2 on mass transport and densiffication during sintering was analyzed by considering the intrinsic defects. System densiffication was attributed to a mass transport mechanism in the SnO2 matrix, caused by the presence of TiO2, which formed a solid solution phase. The change in the mass transport mechanism was attributed to chemical bonding between SnO2 and TiO2, which improves ionic difusion as the concentration of TiO2 increased in (Sn,Ti)O2 compositions. © 2002 Elsevier Science Ltd. All rights reserved.
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A new protocol using 3-h fast animal for intestinal motility test was developed in our laboratory aiming the 3R's concept to reduce the stress of animals. Our results may aid in formulating recommendations that can be included in revised guidelines with regard to fasting time of mice.
Analysis of diametrical wear of grinding wheel and roundness errors in the machining of steel VC 131
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Due to the high industrial competitiveness, the rigorous laws of environmental protection, the necessary reduction of costs, the mechanical industry sees itself forced to worry more and more with the refinement of your processes and products. In this context, can be mentioned the need to eliminate the roundness errors that appear after the grinding process. This work has the objective of verifying if optimized nozzles for the application of cutting fluid in the grinding process can minimize the formation of the roundness errors and the diametrical wear of grinding wheel in the machining of the steel VC 131 with 60 HRc, when compared to the conventional nozzles. These nozzles were analyzed using two types of grinding wheels and two different cutting fluids. Was verified that the nozzle of 3mm of diameter, integral oil and the CBN grinding wheel, were the best options to obtain smaller roundness errors and the lowest diametrical wears of grinding wheels.
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We propose a new protocol intended to conform to the 3Rs (replacement, reduction, and refinement) principle, using animals fasted for 3 h to control intestinal motility, which reduced stress in the animals. In this new protocol, mice are deprived of food for a short time (3 h) and are not killed. The mice are observed until evacuation containing charcoal is observed, and the experimental results are based on the charcoal evacuation time. The present study may aid the formulation of recommendations that can be included in revised guidelines relating to the fasting time of mice. This new concept of an intestinal motility test conforms with respectful science.
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The effect of Ag addition on the phase transformations that occur in the Cu-10% Al alloy was studied using differential thermal analysis, scanning electron and optical microscopies and energy dispersive X-ray analysis. The results indicated that Ag addition is responsible for the separation of the reverse martensitic transformation in two stages, and for the refinement of the α-phase grains. The relative amount of the β1 martensitic phase, retained on slow cooling (above 2 K min-1 of cooling rate), and the relative fraction of phase α2 are increased. The solubility limit of Ag in the matrix is close to 6 mass% and at this concentration the maximum stability of the β-phase is reached. © 2005 Akadémiai Kiadó, Budapest.
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Grain refinement of low carbon steel via the warm deformation of martensite during torsion testing was investigated. At the beginning of straining, laths with high dislocation density were observed. After large deformations, a ferrite matrix with grain size close to 1μm and dispersed cementite particles were attained.
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This paper presents the results of a geophysical study carried out in northeastern São Paulo State and southwestern Minas Gerais State over an area 80 km wide and 97.5 km long in SE Brazil. The Bouguer anomaly map, and geological and structural data allowed to identify three different gravity domains - crustal blocks limited by major discontinuities -related to the structural pattern of the area. These discontinuities were interpreted as geosuture zones underlying the Paraná Basin sediments which have extensions in the Pre-cambrian Basement. The crustal discontinuities named Alterosa and Ribeirão Preto may be seen as A - type collision sutures in a triple junction arramgement. Two prominent linear anomalies are recognized in the Bouguer anomaly map, as well as the limit between the Brasilia and São Paulo crustal blocks or paleoplates. The Alterosa suture zone trends NW-SE while the Ribeirão Preto suture has a NE-SW direction. The Bouguer anomaly map provides subsidies and information on new concepts and theories leading to the refinement of tectonic models.
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Pure and scandium doped-TiO2 thin films were prepared by the sol-gel process and coated by dip coating. The effects of scandium on the phase formation, optical properties and photoactivity of the TiO2 thin films were investigated. The lattice parameters and the crystallinity of the anatase phase, characterized by the Rietveld method, demonstrated that scandium doping affected the structural parameters and crystallinity of the films, modifying the absorption edge. A direct correlation was found between band gap energy and photodegradation efficiency, with lower values of band gap energy augmenting this efficiency. Moreover, a significant improvement in the catalyst's photodegradation efficiency was attained with a scandium concentration of 5.0 mol%. © 2007 Springer Science+Business Media, LLC.
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The interface formed between the metal and the porcelain of laser-welded Ni-Cr-Mo alloy was studied on a metallurgical basis. The characterization was carried out by using optical microscope, electron scan microscopy and X-ray dispersive spectroscopy techniques and mechanical three-point flexion tests, in the laser-welded region, with and without porcelain. The union of the porcelain with the alloy is possible only after the oxidation of the metallic surface and the subsequent application of a bonding agent known as opaque. The porcelain applied to the base metal and weld bead showed different behaviours - after the flexion test, the base metal showed cracks, while that in the weld bead broke away completely. It was noted that the region subjected to laser welding had lower adherence to the porcelain than the base metal region, due to microstructural refinement of the weld bead. These results can be shown by the X-ray dispersive spectroscopy carried out on the regions studied. The flexion tests demonstrated that the Ni-Cr-Mo alloy subject to laser welding had significant alterations in its mechanical properties after application of the porcelain.