Structural conditions that leads to photoluminescence emission in SrTiO3: An experimental and theoretical approach

Complex cluster [TiO5 center dot V-O(z)] and [SrO11 center dot V-O(z)] (where V-O(z)=V-O(X), V-O(center dot), V-O(center dot center dot)) vacancies were identified in disordered SrTiO3 powders prepared by the polymeric precursor method, based on experimental measurements by x-ray absorption near edge structure spectroscopy. The paramagnetic complex states of [TiO5 center dot V-O(center dot)] and [SrO11 center dot V-O(center dot)] with unpaired electrons were confirmed by electron paramagnetic resonance spectroscopy. The disordered powders showed strong photoluminescence at room temperature. Structural defects of disordered powders, in terms of band diagram, density of states, and electronic charges, were interpreted using high-level quantum mechanical calculations in the density functional framework. The four periodic models used here were consistent with the experimental data and explained the presence of photoluminescence. (C) 2008 American Institute of Physics.

Presence of excited electronic state in CaWO4 crystals provoked by a tetrahedral distortion: An experimental and theoretical investigation

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Theoretical Dynamics of Experimental Populations of Introduced and Native Blowflies (Diptera: Calliphoridae)

Equilibrium dynamics in experimental populations of Chrysomya megacephala (F.) and C. putoria (Wiedemann), which have recently invaded the Americas, and the native species Cochliomyia macellaria (F.), were investigated using nonlinear difference equations. A theoretical analysis of the mathematical model using bifurcation theory established the combination of demographic parameters responsible for producing shifts in blowfly population dynamics from stable equilibria to bounded cycles and aperiodic behavior. Mathematical modeling shows that the populations of the 2 introduced Chrysomya species will form stable oscillations with numbers fluctuating 3-4 times in successive generations. However, in the native species C. macellaria, the dynamics is characterized by damping oscillations in population size, leading to a stable population level.

A theoretical and experimental analysis of cold-formed steel shapes subjected to bending - Channel and simple lipped channel

Cold-formed steel shapes have been widely employed in steel construction, where they frequently offer a lower cost solution than do traditional laminated shapes. A classic application of cold-formed steel shapes is purlins in the roof panel of industrial buildings, connected to the roof panel by means of screws. The combined effect of these two elements has been the subject of investigations in some countries. Design criteria were included in the AISI Code in 1991 and 1996. This paper presents and discusses the results obtained from bending tests carried out on shapes commonly used in Brazil, i.e., the channel and the simple lipped channel, Tests were carried out on double shapes with 4.5 and 6.0 meter spans, which were subjected to concentrated loads and braced against each other on the supports and at intermediary points in three different load situations. The panel shape was also analyzed experimentally, simulating the action of wind by means of a vacuum box designed specifically for this purpose. The test results were then compared to those obtained through the theoretical analysis, enabling us to extract important information upon which to base proposed design criteria for the new Brazilian code.

Fiberglass-reinforced glulam beams: Mechanical properties and theoretical model

The glued-laminated lumber (glulam) technique is an efficient process for making rational use of wood. Fiber-Reinforced Polymers (FRPs) associated with glulam beams provide significant gains in terms of strength and stiffness, and also alter the mode of rupture of these structural elements. In this context, this paper presents a theoretical model for designing reinforced glulam beams. The model allows for the calculation of the bending moment, the hypothetical distribution of linear strains along the height of the beam, and considers the wood has a linear elastic fragile behavior in tension parallel to the fibers and bilinear in compression parallel to the fibers, initially elastic and subsequently inelastic, with a negative decline in the stress-strain diagram. The stiffness was calculated by the transformed section method. Twelve non-reinforced and fiberglass reinforced glulam beams were evaluated experimentally to validate the proposed theoretical model. The results obtained indicate good congruence between the experimental and theoretical values.

Managing environmental training in organizations: Theoretical review and proposal of a model

Purpose: The aim of this work is to address the issue of environmental training in organizations, presenting a theoretical review on the subject and proposing a model that highlights the importance of this type of training for organizations. Design/methodology/approach: The paper presents a thorough, updated literature review, discusses typology and the best practices of environmental training, and presents a framework integrating environmental training and organizational results. Findings: A careful consideration allows identifying a significant theoretical gap related to the lack of theoretical references, best practices, and an alignment between environmental training and organizational results. To overcome this gap, a model was proposed that helps to manage the environmental training process in organizations. Research limitations/implications: The paper needs to be complemented with empirical research on the topic. Originality/value: Environmental training is considered to be an essential element for organizations seeking to mitigate their environmental impacts. ISO 14001 states that environmental management is a duty of certified organizations. However, there have been few published articles that suggest models and insights to improve the environmental training in organizations. © Emerald Group Publishing Limited.

Wireless mesh networks planning based on parameters of quality of service

The use of QoS parameters to evaluate the quality of service in a mesh network is essential mainly when providing multimedia services. This paper proposes an algorithm for planning wireless mesh networks in order to satisfy some QoS parameters, given a set of test points (TPs) and potential access points (APs). Examples of QoS parameters include: probability of packet loss and mean delay in responding to a request. The proposed algorithm uses a Mathematical Programming model to determine an adequate topology for the network and Monte Carlo simulation to verify whether the QoS parameters are being satisfied. The results obtained show that the proposed algorithm is able to find satisfactory solutions.

Educational decentralization models in Latin America

Includes bibliography

Three-dimensional modeling and highly refined mesh generation of the aorta artery and its tunics

This paper describes strategies and techniques to perform modeling and automatic mesh generation of the aorta artery and its tunics (adventitia, media and intima walls), using open source codes. The models were constructed in the Blender package and Python scripts were used to export the data necessary for the mesh generation in TetGen. The strategies proposed are able to provide meshes of complicated and irregular volumes, with a large number of mesh elements involved (12,000,000 tetrahedrons approximately). These meshes can be used to perform computational simulations by Finite Element Method (FEM). © Published under licence by IOP Publishing Ltd.

Interpretation of searches for supersymmetry with simplified models

The results of searches for supersymmetry by the CMS experiment are interpreted in the framework of simplified models. The results are based on data corresponding to an integrated luminosity of 4.73 to 4.98 fb-1. The data were collected at the LHC in proton-proton collisions at a center-of-mass energy of 7 TeV. This paper describes the method of interpretation and provides upper limits on the product of the production cross section and branching fraction as a function of new particle masses for a number of simplified models. These limits and the corresponding experimental acceptance calculations can be used to constrain other theoretical models and to compare different supersymmetry-inspired analyses. © 2013 CERN.

Theoretical and experimental spectroscopic studies of the first highly luminescent binuclear hydrocinnamate of Eu(III), Tb(III) and Gd(III) with bidentate 2,2 '-bipyridine ligand

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Thermochemical equilibrium modeling of biomass downdraft gasifier: Stoichiometric models

The aim of this work is to develop stoichiometric equilibrium models that permit the study of parameters effect in the gasification process of a particular feedstock. In total four models were tested in order to determine the syngas composition. One of these four models, called M2, was based on the theoretical equilibrium constants modified by two correction factors determined using published experimental data. The other two models, M3 and M4 were based in correlations, while model M4 was based in correlations to determine the equilibrium constants, model M3 was based in correlations that relate the H-2, CO and CO2 content on the synthesis gas. Model M2 proved to be the more accurate and versatile among these four models, and also showed better results than some previously published models. Also a case study for the gasification of a blend of hardwood chips and glycerol at 80% and 20% respectively, was performed considering equivalence ratios form 0.3 to 0.5, moisture contents from 0%-20% and oxygen percentages in the gasification agent of 100%, 60% and 21%. (C) 2013 Elsevier Ltd. All rights reserved.

A theoretical characterization of scaling properties in a bouncing ball system

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Theoretical insight into the mechanism for the inhibition of the cysteine protease cathepsin B by 1,2,4-thiadiazole derivatives

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Very Intense Distinct Blue and Red Photoluminescence Emission in MgTiO 3 Thin Films Prepared by the Polymeric Precursor Method: An Experimental and Theoretical Approach

MgTiO3 (MTO) thin films were prepared by the polymeric precursor method with posterior spin-coating deposition. The films were deposited on Pt(111)/Ti/SiO2/Si(100) substrates and heat treated at 350 °C for 2 h and then heat treated at 400, 450, 500, 550, 600, 650 and 700 °C for 2 h. The degree of structural order−disorder, optical properties, and morphology of the MTO thin films were investigated by X-ray diffraction (XRD), micro-Raman spectroscopy (MR), ultraviolet− visible (UV−vis) absorption spectroscopy, photoluminescence (PL) measurements, and field-emission gun scanning electron microscopy (FEG-SEM) to investigate the morphology. XRD revealed that an increase in the annealing temperature resulted in a structural organization of MTO thin films. First-principles quantum mechanical calculations based on density functional theory (B3LYP level) were employed to study the electronic structure of ordered and disordered asymmetric models. The electronic properties were analyzed, and the relevance of the present theoretical and experimental results was discussed in the light of PL behavior. The presence of localized electronic levels and a charge gradient in the band gap due to a break in the symmetry are responsible for the PL in disordered MTO lattice.