Influence of the thermal treatment in the crystallization of NiWO4 and ZnWO4

NiWO4 and ZnWO4 were synthesized by the polymeric precursor method at low temperatures with zinc or nickel carbonate as secondary phase. The materials were characterized by thermal analysis (TG/DTA), infrared spectroscopy, UV-Vis spectroscopy and X-ray diffraction. NiWO4 was crystalline after calcination at 350 A degrees C/12 h while ZnWO4 only crystallized after calcination at 400 A degrees C for 2 h. Thermal decomposition of the powder precursor of NiWO4 heat treated for 12 h had one exothermic transition, while the precursor heat treated for 24 h had one more step between 600 and 800 A degrees C with a small mass gain. Powder precursor of ZnWO4 presented three exothermic transitions, with peak temperatures and mass losses higher than NiWO4 has indicating that nickel made carbon elimination easier.

Influence of structural disorder on the photoluminescence emission of PZT powders

Intense and broad visible photoluminescent (PL) band was observed at room temperature in disordered Pb(Zr(0.53)Ti(0.47))O(3) powders. Structural order-disorder was evaluated by different methods. XANES results pointed to the presence of different coordination modes of disordered Ti powders, and in the ordered sample the local structure around titanium atoms is characteristic of the structurally ordered PZT with only TiO(6) units. Only samples containing simultaneous structural order and disorder in their network present the intense visible PL emission at room temperature.

Disorder-dependent photoluminescence in Ba0.8Ca0.2TiO3 at room temperature

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

Depinning and vortex-glass-like transition in Nb with uncorrelated disorder

Studies of the third harmonic of the AC-susceptibility were conducted to detect the boundaries of the linear regime of the magnetic response of granular Nb samples. These studies reveal the extent of the region, on the phase diagram, where the magnetic response is linear, which corresponds to the disordered phase of Vortex Matter. The present work addresses the correlation between a linear response and experimental parameters such as the frequency and the amplitude of the excitation field. The order-disorder border has been extracted from the onset temperature of the third harmonic measured at low-frequencies and low-excitation fields in the presence of dc magnetic fields. © 2008 IOP Publishing Ltd.

Influence of solvent on the morphology and photocatalytic properties of ZnS decorated CeO2 nanoparticles

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Europium-doped calcium titanate: Optical and structural evaluations

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Structural disorder-dependent upconversion in Er3+/Yb3+-doped calcium titanate

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Photoluminescence of BaZrO3 explained by a order/disorded transformation

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Structural XANES characterization of Ca0.99Sm0.01TiO3 perovskite and correlation with photoluminescence emission

In this work, CaTiO3:Sm (CT:Sm) were prepared by a soft chemical processing at different annealing temperatures starting with a disordered structure and reaching an ordered one, with the propose to understand the relationship between structural order-disorder and photoluminescence emission. The samples were characterized by titanium K-edge, Titanium L-II and L-III-edge XANES, electron paramagnetic resonance (EPR) and photoluminescence (PL) measurements. XANES results clearly point the presence of local distortion in [TiO6] octahedral clusters until the crystallization was completed. The interactions of the network clusters that form the CT:Sm structures provides favorable structural and electronic conditions for the appearance of PL phenomena. (C) 2012 Published by Elsevier B.V.

A soft-tetramer model for diblock copolymer melts: structure formation and geometric characterization

The ability of block copolymers to spontaneously self-assemble into a variety of ordered nano-structures not only makes them a scientifically interesting system for the investigation of order-disorder phase transitions, but also offers a wide range of nano-technological applications. The architecture of a diblock is the most simple among the block copolymer systems, hence it is often used as a model system in both experiment and theory. We introduce a new soft-tetramer model for efficient computer simulations of diblock copolymer melts. The instantaneous non-spherical shape of polymer chains in molten state is incorporated by modeling each of the two blocks as two soft spheres. The interactions between the spheres are modeled in a way that the diblock melt tends to microphase separate with decreasing temperature. Using Monte Carlo simulations, we determine the equilibrium structures at variable values of the two relevant control parameters, the diblock composition and the incompatibility of unlike components. The simplicity of the model allows us to scan the control parameter space in a completeness that has not been reached in previous molecular simulations.The resulting phase diagram shows clear similarities with the phase diagram found in experiments. Moreover, we show that structural details of block copolymer chains can be reproduced by our simple model.We develop a novel method for the identification of the observed diblock copolymer mesophases that formalizes the usual approach of direct visual observation,using the characteristic geometry of the structures. A cluster analysis algorithm is used to determine clusters of each component of the diblock, and the number and shape of the clusters can be used to determine the mesophase.We also employ methods from integral geometry for the identification of mesophases and compare their usefulness to the cluster analysis approach.To probe the properties of our model in confinement, we perform molecular dynamics simulations of atomistic polyethylene melts confined between graphite surfaces. The results from these simulations are used as an input for an iterative coarse-graining procedure that yields a surface interaction potential for the soft-tetramer model. Using the interaction potential derived in that way, we perform an initial study on the behavior of the soft-tetramer model in confinement. Comparing with experimental studies, we find that our model can reflect basic features of confined diblock copolymer melts.

Investigation of the starch gelatinisation phenomena in water-glycerol systems: application of modulated temperature differential scanning calorimetry

The use of modulated temperature differential scanning calorimetry (MTDSC) has provided further insight into the gelatinisation process since it allows the detection of glass transition during gelatinisation process. It was found in this work that the glass transition overlapped with the gelatinisation peak temperature for all maize starch formulations studied. Systematic investigation on maize starch gelatinisation over a range of water-glycerol concentrations with MTDSC revealed that the addition of glycerol increased the gelatinisation onset temperature with an extent that depended on the water content in the system. Furthermore, the addition of glycerol promoted starch gelatinisation at low water content (0.4 g water/g dry starch) and the enthalpy of gelatinisation varied with glycerol concentration (0.73-19.61 J/g dry starch) depending on the water content and starch type. The validities of published gelatinisation models were explored. These models failed to explain the glass transition phenomena observed during the course of gelatinisation and failed to describe the gelatinisation behaviour observed over the water-glycerol concentrations range investigated. A hypothesis for the mechanisms involved during gelatinisation was proposed based on the side chain liquid crystalline polymer model for starch structure and the concept that the order-disorder transition in starch requires that the hydrogen bonds (the major structural element in the granule packing) to be broken before the collapse of order (helix-coil transition) can take place. (C) 2004 Elsevier Ltd. All rights reserved.

Raman spectroscopic study of the uranyl titanate mineral holfertite CaxU2-xTi(O8-xOH4x)•3H2O and the lack of metamictization

Raman spectra of the uranyl titanate mineral holfertite CaxU2-xTi(O8-xOH4x)•3H2O were analysed and related to the mineral structure. Observed bands are attributed to the TiO and (UO2)2+ stretching and bending vibrations, U-OH bending vibrations, H2O stretching, bending. The mineral holfertite is metamict as is evidenced by order/disorder of the mineral. Unexpectedly the Raman spectrum of holfertite does not show any metamictization. The intensity of the UO stretching and bending modes show normal intensity and the bands are sharp.

Homogeneous isotropic turbulence: large momentum expansion

High temperature expansion is an effective tool for studying second order phase transitions. With this in mind, we have looked at a high momentum expansion for homogeneous isotropic turbulence. Combining our results with those of the inertial range, we give another view of extended self-similarity (ESS).

Pressure effect on the phase transition of trissarcosine calcium chloride

The dielectric measurement of ferroelectric trissarcosine calcium chloride (TSCC) was made under various pressures up to 6 kbar. A striking decrease in the peak value of the permittivity, epsilon r, at the transition temperature, Tc, was observed with increasing pressure. The value of Tc increases linearly with a pressure coefficient dTc/dp=11.1K kbar-1 at low pressures. This increase in Tc supports the suggestion that the ferroelectric transition is of the pure order-disorder type. It is suggested on the basis of the behaviour of epsilon r with pressure that the order of the ferroelectric transition changes from second to first order on application of pressure.