Density functional theory calculation of the electronic structure of Ba0.5Sr0.5TiO3: Photoluminescent properties and structural disorder

First-principles quantum-mechanical techniques, based on density functional theory (B3LYP level) were employed to study the electronic structure of ordered and deformed asymmetric models for Ba0.5Sr 0.5TiO3. Electronic properties are analyzed and the relevance of the present theoretical and experimental results on the photoluminescence behavior is discussed. The presence of localized electronic levels in the band gap, due to the symmetry break, would be responsible for the visible photoluminescence of the amorphous state at room temperature. Thin films were synthesized following a soft chemical processing. Their structure was confirmed by x-ray data and the corresponding photoluminescence properties measured.

Comparison of the population structure of the fiddler crab Uca vocator (Herbst, 1804) from three subtropical mangrove forests

The population structure of U. vocator was investigated during a one-year period in three mangrove forests in southeast Brazil. The study specifically addressed comparisons on individual size juvenile recruitment and sex-ratio. The structure of the mangrove forests, i.e. density, basal area, and diameter, and the physical properties of sediments. i.e. texture and organic matter contents, were also examined. A catch-per-unit-effort (CPUE) technique was used to sample the crab populations using 15-min sampling periods by two people. Males always outnumbered females, probably due to ecological and behavioural attributes of these crabs. The median size of fiddler crabs differed among the sampled populations. The mangroves at Indaiá and Itamambuca showed higher productivity than those at Itapanhaú, where oil spills impacting the shore were reported. Marked differences were found regarding individual size, either their size at the onset of sexual maturity or their asymptotic size, suggesting that food availability may be favouring growth in the studied populations.

Carotid arteries in the dog: Structure and histophysiology

Light microscopy analysis of the mural structure of the common carotid artery, internal carotid artery and external carotid artery in mongrel dog revealed variability in the middle values of vascular diameter and thickness of the intimal plus medial coats and adventitial coat. The vascular diameter did not differ between the internal carotid artery and external carotid artery, but was significantly increased in the common carotid artery from which the other two arteries had origin. The increased thickness of the intimal plus medial coats of the common carotid artery revealed the constant mechanical adjustment of the arterial wall and local shearing stress that occurred among the arterial coats. The adventitial coat of the internal carotid artery was significantly thicker than those of the common carotid and external carotid arteries, with no significant difference noted between the latter arteries. These histomorphometric results were related to the qualitative observations regarding the mural structure of the three arteries analyzed, especially regarding to the increased thickness and structural complexity of the adventitial coat of the internal carotid artery. Perhaps it acted as an external protective sheath of the vascular wall during its long course until the carotid channel. © 2006 Sociedad Chilena de Anatomía.

The influence of the flame structure on the combustion oscillations in a cylindrical chamber

An experimental study has been conducted with the objective of investigating the effects of the flame structure in the combustion oscillation conditions into a laboratorial scale cylindrical chamber. The experiments were conducted in a water-jacketed 1-m long by 25-cm internal diameter stainless steel vertical tube. The combustor operated with liquefied petroleum gas (LPG) in both oscillatory and non oscillatory conditions, under the same input conditions. Part of the reactant mixture was excited acoustically, before the burner exit, by a speaker positioned strategically. The burner was aligned with the chamber longitudinal axis and positioned at its bottom. The experiments were conducted for 0.16 g/s of LPG burning in stoichiometric equivalence ratio. To analyze the flame structure the image tomographic reconstruction process were used, and the resultant images were associated to the oscillatory conditions (frequency and amplitude) into the combustion chamber. The main conclusions were: 1) when the flame premixed condition increase, for example 60% of the total air flow rate is premixed with LPG, the region of intense energy released is close to burner exit and strong amplitudes of oscillation (close to 50 mbar) were obtained into the chamber; 2) for long flames, predominantly diffusive flames, just weak amplitudes were detected, in the spite of the speaker exiting the premixed flow; 3) when the energy is released distributed through the combustion chamber, the long flame acts like a baffle. Copyright © 2006 by the American Institute of Aeronautics and Astronautics, Inc. All rights reserved.

The small x behavior of the gluon structure function from total cross-sections

Within a QCD-based eikonal model with a dynamical infrared gluon mass scale we discuss how the small x behavior of the gluon distribution function at moderate Q 2 is directly related to the rise of total hadronic cross-sections. In this model the rise of total cross-sections is driven by gluon-gluon semihard scattering processes, where the behavior of the small x gluon distribution function exhibits the power law xg(x, Q 2) = h(Q 2)x( -∈). Assuming that the Q 2 scale is proportional to the dynamical gluon mass one, we show that the values of h(Q 2) obtained in this model are compatible with an earlier result based on a specific nonperturbative Pomeron model. We discuss the implications of this picture for the behavior of input valence-like gluon distributions at low resolution scales. © 2008 World Scientific Publishing Company.

Statistical quark model for the nucleon structure function

A statistical quark model, with quark energy levels given by a central linear confining potential is used to obtain the light sea-quark asymmetry, d̄/ū, and also for the ratio d/u, inside the nucleon. After adjusting a temperature parameter by the Gottfried sum rule violation, and chemical potentials by the valence up and down quark normalizations, the results are compared with experimental data available. © 2009 American Institute of Physics.

Improved statistical quark model for the nucleon structure function

An improved statistical quark model, with quark energy levels given by a central linear confining potential, is used to obtain the light sea-quark asymmetry, d̄/ū, and also for the corresponding difference d̄-ū, inside the nucleon. In the model, a temperature parameter is adjusted by recent results obtained for the Gottfried sum rule violation, with two chemical potentials adjusted by the valence up and down quark normalizations. The results are compared with available recent experimental data. © 2010 American Institute of Physics.

Statistical quark models for the nucleon structure functions

We consider some existing relativistic models for the nucleon structure functions, relying on statistical approaches instead of perturbative ones. These models are based on the Fermi-Dirac distribution for the confined quarks, where a density of energy levels is obtained from an effective confining potential. In this context, it is presented some results obtained with a recent statistical quark model for the sea-quark asymmetry in the nucleon. It is shown, within this model, that experimental available observables, such as the ratio and difference between proton and neutron structure functions, are quite well reproduced with just three parameters: two chemical potentials used to reproduce the valence up and down quark numbers in the nucleon, and a temperature that is being used to reproduce the Gottfried sum rule violation. © 2010 American Institute of Physics.

The algebraic structure behind the derivative nonlinear Schrödinger equation

The Kaup-Newell (KN) hierarchy contains the derivative nonlinear Schrödinger equation (DNLSE) amongst others interesting and important nonlinear integrable equations. In this paper, a general higher grading affine algebraic construction of integrable hierarchies is proposed and the KN hierarchy is established in terms of an Ŝℓ2Kac-Moody algebra and principal gradation. In this form, our spectral problem is linear in the spectral parameter. The positive and negative flows are derived, showing that some interesting physical models arise from the same algebraic structure. For instance, the DNLSE is obtained as the second positive, while the Mikhailov model as the first negative flows. The equivalence between the latter and the massive Thirring model is also explicitly demonstrated. The algebraic dressing method is employed to construct soliton solutions in a systematic manner for all members of the hierarchy. Finally, the equivalence of the spectral problem introduced in this paper with the usual one, which is quadratic in the spectral parameter, is achieved by setting a particular automorphism of the affine algebra, which maps the homogeneous into principal gradation. © 2013 IOP Publishing Ltd.

Insight into the Effects of Fe Addition on the Local Structure and Electronic Properties of SrTiO3

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Temporal and Spatial Scaling of the Genetic Structure of a Vector-Borne Plant Pathogen

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

The influence of habitat homogenization on the trophic structure of fish fauna in tropical streams

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

First principles investigations on the electronic structure of anchor groups on ZnO nanowires and surfaces

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Effect of the length of alkyl side chains in the electronic structure of conjugated polymers

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

Elucidating the crystal structure of the antimalarial drug (+/-)-mefloquine hydrochloride: a tetragonal hydrated species

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