169 resultados para Powder diffraction software


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

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Nickel ferrite powders with a nominal NiFe2O4 composition were synthesized by combustion reaction using urea as fuel. The powder was obtained using a vitreous silica basin heated directly on a hot plate at 480 degrees C until self-ignition occurred. After combustion, the powder was calcined at 700 degrees C for 2 h. The formation of the spinel phase and the distribution of cations in the tetrahedral and octahedral sites of the crystal structure were investigated by the Rietveld method, using synchrotron X-ray diffraction data and Mossbauer spectroscopy. The material presented a crystallite size of 120 nm and magnetic properties. The resulting stoichiometry after the Rietveld refinement was (Fe-0.989(2) Ni-0.011(2)) [Fe-1.012(2) Ni-0.989(2)] O-4.

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Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

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Nanocrystalline ZrO2-12 mol % CeO2 powders were synthesized using a polymeric precursor method based on the Pechini process. X-ray diffraction (XRD) patterns showed that the method was effective to synthesize tetragonal zirconia single-phase. The mean crystallite size attained ranges from 6 to 15 nm. The BET surface areas were relatively high reaching 97 m(2)/g. Studies by nitrogen adsorption/desorption on powders, dilatometry of the compacts, and transmission electron microscopy (TEM) of the powders, were also developed to verify the particles agglomeration state. Both citric acid : ethylene glycol ratio and calcination temperature affected the powder morphology, which influenced the sinterability and microstructure of the sintered material, as showed by scanning electron microscopy (SEM). (C) 2001 Kluwer Academic Publishers.

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Reactive ZrxTi1-xO4 (x=0.65, 0.50 and 0.35) powder was prepared by the polymeric precursor method. Studies by X-ray diffraction (XRD), nitrogen adsorption/desorption, and thermogravimetric analysis (TG) showed that powders with high crystallinity (>90%) and high surface areas (>40 m(2)/g) are obtained after calcination at 700 degrees C for 3 h. Infrared spectroscopy and XRD results showed that these titanates nucleate from the amorphous phase with no intermediate phases, at low temperature (450 degrees C).

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The SrWO4 (SWO) powders were synthesized by the polymeric precursor method and annealed at different temperatures. The SWO structure was obtained by X-ray diffraction and the corresponding photoluminescence (PL) spectra was measured. The PL results reveal that the structural order-disorder degree in the SWO lattice influences in the PL emission intensity. Only the structurally order-disordered samples present broad and intense PL band in the visible range. To understand the origin of this phenomenon, we performed quantum-mechanical calculations with crystalline and order-disordered SWO periodic models. Their electronic structures were analyzed in terms of band structure. The appearance of localized levels in the band gap of the order-disordered structure was evidenced and is a favorable condition for the intense PL to occur.

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Disordered and crystalline Mn-doped BaTiO3 (BTO:Mn) powders were synthesized by the polymeric precursor method. After heat treatment, the nature of visible photoluminescence (PL) at room temperature in amorphous BTO:Mn was discussed, considering results of experimental and theoretical studies. X-ray diffraction (XRD), PL, and UV-vis were used to characterize this material. Rietveld refinement of the BTO:Mn from XRD data was used to built two models, which represent the crystalline BTO:Mn (BTO:Mn,) and disordered BTO:Mn (BTO:Mn-d) structures. Theses models were analyzed by the periodic ab initio quantum mechanical calculations using the CRYSTAL98 package within the framework of density functional theory at the B3LYP level. The experimental and theoretical results indicated that PL is related with the degree of disorder in the BTO:Mn powders and also suggests the presence of localized states in the disordered structure. (c) 2006 Elsevier B.V. All rights reserved.

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The effect of the properties of starting boron powders on the superconducting properties of MgB2 has been studied. The 92% and 96% pure powders produce lower surface reactivity and larger particle size than the 99% boron powder, as can be seen from Brunauer - Emmett - Teller (BET) and scanning electron microscopy (SEM) results, indicating that the low purity powders cannot be used to archive the same superconducting properties as those of samples made from pure 99% boron powder. However, the purity of 92% and 96% boron powders can be improved by using a simple chemical process, leading to enhanced magnetic critical current densities J(c). From x-ray diffraction (XRD) measurement, oxide impurity has been observed, which might be originated from the B2O3 phase in the boron powders. In order to get high performance MgB2, it is obviously important to control the phase composition and microstructure of amorphous boron starting powders and solid reaction conditions.

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Nanostructured KSr2Nb5O15 oxide was synthesized by the polymeric precursor method, a chemical synthesis route based on the Pechini's method. The X-ray diffraction (XRD) pattern of the calcined powder at 1150 degreesC were performed in the angular range 5 less than or equal to 20 less than or equal to 120degrees with a 0.02degrees step and a fixed counting time of 30 s. The XRD data were analyzed by the Rietveld refinements using the FullProf software. The results C showed a tetragonal system with the tetragonal tungsten bronze structure (TTB) type (a = 12.4585 (2) Angstrom and c = 3.9423 (6) Angstrom, V = 611,90 (2) Angstrom). In this work, the sites occupancy by the K+ and Sr2+ cations on the TTB type structure were determined. The thermal parameters (B) were analyzed. (C) 2004 Elsevier B.V. All rights reserved.

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Ultra-fine NaNbO3 powder was prepared by the use of polymeric precursors. X-ray diffraction (XRD) results showed that this niobate nucleates from the amorphous precursor, with no intermediate phases, at low temperature (500°C). Studies by XRD and nitrogen adsorption/desorption showed that powders with high crystallinity ( ≈ 100%) and high surface areas (>20 m2/g) are obtained after calcination at 700°C for 5 h. Compacts of calcined powders showed high sinterability reaching 98% of theoretical density when sintered at 1190°C for 3 h.

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Non-linear electrical properties of SnO2-based ceramics were investigated as a function of powder agglomeration condition and as a function of dopant addition. All doped powders presented a single phase, cassiterite, as evidenced by X-ray diffraction analysis. The effect of milling was quite evident, with non-milled powder showing higher agglomerated particle size than milled powder. Cr addition seemed to increase the non-linear coefficient. Cu and Mn rendered dense ceramics, but α values for systems with Mn were higher than for systems with Cu.

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Titanium and its alloys provide high strength-to-weight ratios, good fatigue strength and increased corrosion resistance compared with others materials. Its acceptance in aerospace has been limited by costs considerations such as high cost of raw material, high buy-to-fly ratios and expensive machining operations. Significant cost reductions can be obtained by vacuum sintering and powder metallurgy (P/M) techniques by producing near net shapes and consequently minimizing material waste and machining time. The Ti 35Nb alloy exhibit a low modulus of elasticity. Stemming from the unique combination of high strength, low modulus of elasticity and low density, this alloy is intrinsically more resistant to shock and explosion damages than most other engineering materials. Samples were produced by mixing of initial metallic powders followed by uniaxial and cold isostatic pressing with subsequent densification by sintering between 900 and 1600 °C, in vacuum. Sintering behavior was studied by means of dilatometry. Sintered samples were characterized for phase composition, microstructure and microhardness by X-ray diffraction, scanning electron microscopy and Vickers indentation, respectively. Density was measured by Archimedes method. Copyright © 2004 Society of Automotive Engineers, Inc.

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This work presents a surface study of monolithic vitreous (or glassy) carbon - MVC - obtained from vitreous carbon powder. Defective MVC pieces are crushed in a ball mill and size classified by sifting. The MVC powder is mixed with furfuryl-alcohol resin and compacted in a mould using a hydraulic press. Samples with different powder granulometries are produced in this way and carbonized in a furnace under nitrogen atmosphere. Complete carbonization of the powder is achieved in only one day and losses due to breakage of the pieces is less than 5%. These results compare very favorably with respect to traditional MVC production methods where full carbonization may require up to seven days and losses due to breakage can be as high as 70%. After carbonization, samples are sanded and polished. Surface roughness and microstructure are characterized by light microscopy. Porosity is quantified from micrographs using ImageJ software and nanometric height variations are measured by atomic force microscopy. © 2012 Materials Research Society.

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Titanium alloys of Ti-Si-B system were manufactured by blended elemental powder method using Ti, Si and B powders as starting materials. It was found that uniaxial and isostatic pressing followed by hot pressing at around 1000°C, for 20 minutes, provided good densification of such alloys. The physicochemical studies were performed by means of scanning electron microscopy, X-ray diffraction, atomic force microscopy and microindentation/wear tests. The investigations revealed a multiphase microstructure formed mainly by α-titanium, Ti6Si2B, Ti5Si3, TiB and Ti3Si phases. The phase transformations after pressureless sintering at 1200°C was also studied by X-ray diffraction for the Ti-18Si-6B composition. As stated in some other researches, these intermetallics in the α-titanium matrix provide high wear resistance and hardness, with the best wear rate of 0.2 mm3/N.m and the highest hardness of around 1300 HV. © (2012) Trans Tech Publications, Switzerland.

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A YSZ@Al2O3 nanocomposite was obtained by Al 2O3 coating on the surface of yttrium stabilized zirconia via a polymeric precursor method. The resulting core-shell structures were characterized by X-ray diffraction, scanning electron microscopy, transmission electronic microscopy and PL spectra. The TEM micrographs clearly show a homogeneous Al2O3 shell around the ZrO2 core. The observed PL is related to surface-interface defects. Such novel technologies can, in principle, explore materials which are not available in the bulk single crystal form but their figure-of-merit is dramatically dependent on the surface-interface defect states. © 2013 This journal isThe Royal Society of Chemistry.