Application of abrupt cut-off models in the analysis of the capacitance spectra of conjugated polymer devices

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

Approximations for the generalized temperature integral: a method based on quadrature rules

The generalized temperature integral I(m, x) appears in non-isothermal kinetic analysis when the frequency factor depends on the temperature. A procedure based on Gaussian quadrature to obtain analytical approximations for the integral I(m, x) was proposed. The results showed good agreement between the obtained approximation values and those obtained by numerical integration. Unless other approximations found in literature, the methodology presented in this paper can be easily generalized in order to obtain approximations with the maximum of accurate.

A DFT rationalization of the room temperature photoluminescence of Li2TiSiO5

Li2TiSiO5 powders were synthesized by the polymeric precursor method. The calcination temperatures were progressively increased until the complete crystallization of the phase occurring at 870 degreesC. For the first time, a strong photoluminescence was measured at room temperature with a 488 nm excitation wavelength for the non-crystalline samples. This photoluminescence in disordered phases has been interpreted by means of high-level quantum mechanical calculations based on density functional theory. Two periodic models have been used to represent the crystalline and disordered powders. They allowed to calculate electronic properties consistent with experimental data and to explain the relations between photoluminescence and structural disorder. (C) 2004 Elsevier B.V. All rights reserved.

Weather-based prediction of anthracnose severity using artificial neural network models

Data were collected and analysed from seven field sites in Australia, Brazil and Colombia on weather conditions and the severity of anthracnose disease of the tropical pasture legume Stylosanthes scabra caused by Colletotrichum gloeosporioides. Disease severity and weather data were analysed using artificial neural network (ANN) models developed using data from some or all field sites in Australia and/or South America to predict severity at other sites. Three series of models were developed using different weather summaries. of these, ANN models with weather for the day of disease assessment and the previous 24 h period had the highest prediction success, and models trained on data from all sites within one continent correctly predicted disease severity in the other continent on more than 75% of days; the overall prediction error was 21.9% for the Australian and 22.1% for the South American model. of the six cross-continent ANN models trained on pooled data for five sites from two continents to predict severity for the remaining sixth site, the model developed without data from Planaltina in Brazil was the most accurate, with >85% prediction success, and the model without Carimagua in Colombia was the least accurate, with only 54% success. In common with multiple regression models, moisture-related variables such as rain, leaf surface wetness and variables that influence moisture availability such as radiation and wind on the day of disease severity assessment or the day before assessment were the most important weather variables in all ANN models. A set of weights from the ANN models was used to calculate the overall risk of anthracnose for the various sites. Sites with high and low anthracnose risk are present in both continents, and weather conditions at centres of diversity in Brazil and Colombia do not appear to be more conducive than conditions in Australia to serious anthracnose development.

Room-temperature photoluminescence of BaTiO3: Joint experimental and theoretical study

Strong photoluminescent emission has been measured at room temperature for noncrystalline BaT'O-3 (BT) perovskite powders. A joint experimental and theoretical study has been carried out to rationalize this phenomenon. From the experimental side, BT powder samples have been synthesized following a soft chemical processing, their crystal structure has been confirmed by x-ray data and the corresponding photoluminescence (PL) properties have been measured. Only the structurally disordered samples present PL at room temperature. From the theoretical side, first-principles quantum-mechanical techniques, based on density-functional theory at the B3LYP level, have been employed to study the electronic structure of crystalline (BT-c) and asymmetric (BT-a) models. Theoretical and experimental results are found to be consistent and their confrontation leads to an interpretation of the PL apparition at room temperature in the structurally disordered powders.

Negative temperature coefficient thermistor based on Bi3Zn2Sb3O14 ceramic: An oxide semiconductor at high temperature

Bi1.5ZnSb1.5O7 dielectric ceramic with pyrochlore structure was investigated by impedance spectroscopy from 400 to 750 degreesC. Pyrochlore was synthesized by the polymeric precursor method, a chemical synthesis route derived from Pechini's method. The grain or bulk resistance exhibits a sensor temperature characteristic, being a thermistor with a negative temperature coefficient (NTC). Only a single region was identified on the resistance curve investigated. The NTC thermistor characteristic parameter (beta) is equal to 7140 degreesC, in the temperature range investigated. The temperature coefficient of the resistance (alpha) was derived, being equal to -4.46x10(-2) degreesC(-1) at 400 degreesC. The conduction mechanism and relaxation are discussed. (C) 2003 American Institute of Physics.

Temperature and concentration dependence of heat capacity of model aqueous solutions

Heat capacities of binary aqueous solutions of different concentrations of sucrose, glucose, fructose, citric acid, malic acid, and inorganic salts were measured with a differential scanning calorimeter in the temperature range from 5degreesC to 65degreesC. Heat capacity increased with increasing water content and increasing temperature. At low concentrations, heat capacity approached that of pure water, with a less pronounced effect of temperature, and similar abnormal behavior of pure water with a minimum around 30degreesC-40degreesC. Literature data, when available agreed relatively well with experimental values. A correction factor, based on the assumption of chemical equilibrium between liquid and gas phase in the Differential Scanning Calorimeter, was proposed to correct for the water evaporation due to temperature rise. Experimental data were fitted to predictive models. Excess molar heat capacity was calculated using the Redlich-Kister equation to represent the deviation from the additive ideal model.

Viscoelastic behavior of persimmons dried at constant air temperature

The viscoelastic behavior of dried persimmons at different air-drying temperatures and velocities was evaluated. Air temperatures and velocities were varied according to a second-order central composite design, with temperature ranging from 40degreesC to 70degreesC and air velocity from 0.8 to 2.0 m/s. After drying, persimmons were equilibrated at four different water activities: 0.432, 0.576, 0.625 and 0.751. The rheological behavior of dried and conditioned persimmons was studied under uniaxial compression-relaxation tests. Three different rheological models were fitted to the experimental relaxation curves: Maxwell, Generalized Maxwell and Peleg and Normand. Based on the root mean square of residuals, the Generalized Maxwell model showed the best fit and a regression analysis was applied to obtain response surfaces for the model parameters. The dependence of the rheological properties on water activity was also analysed. Results showed that only the linear effect of air temperature was significant at a 5% level on the equilibrium stress and relaxation times. In a general way, these parameters increased with increasing air temperature and decreasing water activity. (C) 2004 Swiss Society of Food Science and Technology. Published by Elsevier Ltd. All rights reserved.

Temperature dependence of fractal dimension of grain boundary region in SnO2 based ceramics

Fractal dimensions of grain boundary region in doped SnO2 ceramics were determined based on previously derived fractal model. This model considers fractal dimension as a measure of homogeneity of distribution of charge carriers. Application of the derived fractal model enables calculation of fractal dimension using results of impedance spectroscopy. The model was verified by experimentally determined temperature dependence of the fractal dimension of SnO2 ceramics. Obtained results confirm that the non-Debye response of the grain boundary region is connected with distribution of defects and consequently with a homogeneity of a distribution of the charge carriers. Also, it was found that C-T-1 function has maximum at temperature at which the change in dominant type of defects takes place. This effect could be considered as a third-order transition.

Aggregation-based decomposition for multi-divisional models

The aggregation theory of mathematical programming is used to study decentralization in convex programming models. A two-level organization is considered and a aggregation-disaggregation scheme is applied to such a divisionally organized enterprise. In contrast to the known aggregation techniques, where the decision variables/production planes are aggregated, it is proposed to aggregate resources allocated by the central planning department among the divisions. This approach results in a decomposition procedure, in which the central unit has no optimization problem to solve and should only average local information provided by the divisions.

Temperature and concentration dependence of density of model liquid foods

Density of binary solutions and combinations of sucrose, glucose, fructose, citric acid, malic acid, pectin, and inorganic salts were measured with an oscillating tube density meter in the temperature range from 10degrees to 60degreesC, at varying concentrations. Density can be predicted with accuracy better than 5 x 10(-5) g cm(-3) using predictive equations obtained by fitting the experimental data. Available literature values agreed well with experimental data. Relations for the excess molar volume of these solutions were derived in terms of mole fraction and temperature. A thermodynamic model for the volumetric analysis of multicomponent aqueous solutions containing electrolyte and non-electrolyte compounds was also proposed. These models can be used for prediction of density of liquid food systems, specially fruit juices and beverages, based on composition and temperature, with high accuracy and without elaborate experimental work.

Intense and broad photoluminescence at room temperature in structurally disordered Ba[Zr0.25Ti0.75]O-3 powders: An experimental/theoretical correlation

Intense and broad photoluminescence (PL) emission at room temperature was observed on structurally disordered Ba[Zr0.25Ti0.75]O-3 (BZT) powders synthesized by the polymeric precursor method. BZT powders were annealed at 573 K for different times and at 973 K for 2 h in oxygen atmosphere. The single-phase cubic perovskite structure of the powder annealed at 973 K for 2 It was identified by X-ray diffraction and Fourier transform Raman techniques. PL emission increased with the increase of annealing time, which reached its maximum value in the powder annealed at 573 K for 192 h. First principles quantum mechanical calculations based on density functional theory (B3LYP level) were employed to study the electronic structure of ordered and disordered models. The theoretical calculations and experimental measurements of Ultraviolet-visible absorption spectroscopy indicate that the presence of intermediary energy levels in the band gap is favorable for the intense and broad PL emission at room temperature in disordered BZT powders. The PL behavior is probably due the existence of a charge gradient on the disordered structure, denoted by means of a charge transfer process from [TiO5]-[ZrO6] or [TiO6]-[ZrO5] clusters to [TiO6]-[ZrO6] clusters. (C) 2008 Elsevier Ltd. All rights reserved.

Urea-Based Synthesis of Zinc Oxide Nanostructures at Low Temperature

The preparation of nanometer-sized structures of zinc oxide (ZnO) from zinc acetate and urea as raw materials was performed using conventional water bath heating and a microwave hydrothermal (MH) method in an aqueous solution. The oxide formation is controlled by decomposition of the added urea in the sealed autoclave. The influence of urea and the synthesis method on the final product formation are discussed. Broadband photoluminescence (PL) behavior in visible-range spectra was observed with a maximum peak centered in the green region which was attributed to different defects and the structural changes involved with ZnO crystals which were produced during the nucleation process.

Additive genetic relationship of longevity with fertility and production traits in Nellore cattle based on bivariate models

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