975 resultados para Local density of states - (LDOS)
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The objective of this experiment was to evaluate dry matter yield and loss of grazing due to animal trampling in response to sowing density and spacing between lines in the planting. Sorghum hybrid 1P400 was submitted to six treatments, composed of three sowing density combinations (12; 16 and 20 kg/ha of seeds) and two spacing between lines (0.40 and 0.80 m). Sorghum hybrid 1P400 was sowed in two seasons, at the end of spring (December 3rd, 2005) and the other at the end of summer (March 20th, 2006). Cultivation strategies influenced plant population in the two experimental seasons. Diameter of the stem in season 1 decreased with density increase, whereas in the second season, interaction between sowing density and spacing was significant. In the first season, 0.40-m spacing promoted greater losses due to grazing stepping, that is, 891 kg/ha of DM, whereas in the second season there was no statistical difference. There was no significant difference in forage dry matter yield in sowing densities among the two studied seasons. Dry mater production of sorghum hybrids 1P400 did not increase with the increase of the sowing density in the two sowing seasons, therefore it is recommended 12 kg/ha of seeds for the sowing. Sorghum IP400 cultivated in 0.80-m spacing resulted in lower forage loss caused by grazing bovine trampling. © 2011 Sociedade Brasileira de Zootecnia.
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Physical and chemical adsorption of CO 2 on ZnO surfaces were studied by means of two different implementations of periodic density functional theory. Adsorption energies were computed and compared to values in the literature. In particular, it was found that the calculated equilibrium structure and internuclear distances are in agreement with previous work. CO 2 adsorption was analyzed by inspection of the density of states and electron localization function. Valence bands, band gap and final states of adsorbed CO 2 were investigated and the effect of atomic displacements analyzed. The partial density of states (PDOS) of chemical adsorption of CO 2 on the ZnO(0001) surface show that the p orbitals of CO 2 were mixed with the ZnO valence band state appearing at the top of the valence band and in regions of low-energy conduction band. [Figure not available: see fulltext.] © 2012 Springer-Verlag Berlin Heidelberg.
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The success of fig trees in tropical ecosystems is evidenced by the great diversity (+750 species) and wide geographic distribution of the genus. We assessed the contribution of environmental variables on the species richness and density of fig trees in fragments of seasonal semideciduous forest (SSF) in Brazil. We assessed 20 forest fragments in three regions in Sao Paulo State, Brazil. Fig tree richness and density was estimated in rectangular plots, comprising 31.4 ha sampled. Both richness and fig tree density were linearly modeled as function of variables representing (1) fragment metrics, (2) forest structure, and (3) landscape metrics expressing water drainage in the fragments. Model selection was performed by comparing the AIC values (Akaike Information Criterion) and the relative weight of each model (wAIC). Both species richness and fig tree density were better explained by the water availability in the fragment (meter of streams/ha): wAICrichness = 0.45, wAICdensity = 0.96. The remaining variables related to anthropic perturbation and forest structure were of little weight in the models. The rainfall seasonality in SSF seems to select for both establishment strategies and morphological adaptations in the hemiepiphytic fig tree species. In the studied SSF, hemiepiphytes established at lower heights in their host trees than reported for fig trees in evergreen rainforests. Some hemiepiphytic fig species evolved superficial roots extending up to 100 m from their trunks, resulting in hectare-scale root zones that allow them to efficiently forage water and soil nutrients. The community of fig trees was robust to variation in forest structure and conservation level of SSF fragments, making this group of plants an important element for the functioning of seasonal tropical forests. © 2013 Elsevier Masson SAS. All rights reserved.
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The effect of high hydrostatic and [001] uniaxial pressures on TiO 2 anatase was studied under the framework of periodic calculations with the inclusion of DFT-D2 dispersion potential adjusted for this system (B3LYP-D*). The role of dispersion in distorted unit cells was evaluated in terms of lattice parameters, elastic constants, equation of state, vibrational properties, and electronic properties (band structure and density of states). A more reliable description at high pressures was achieved because the B3LYP-D* presented an improvement in all properties for undistorted bulk over conventional B3LYP and B3LYP-D. From density of states analysis, we observed that the contribution of crystalline orbitals to the edge of valence and conduction bands changed within applied pressure. The studied distortions can give some insight into behavior of electronic and structural properties due to local stress in anatase bulk from doping, defects, and physical tensions in nanometric forms. © 2013 American Chemical Society.
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In this paper, a combined theoretical and experimental study on the electronic structure and photoluminescence (PL) properties of beta zinc molybdate (β-ZnMoO4) microcrystals synthesized by the hydrothermal method has been employed. These crystals were structurally characterized by X-ray diffraction (XRD), Rietveld refinement, Fourier transform Raman (FT-Raman) and Fourier transform infrared (FT-IR) spectroscopies. Their optical properties were investigated by ultraviolet-visible (UV-Vis) absorption spectroscopy and PL measurements. First-principles quantum mechanical calculations based on the density functional theory at the B3LYP level have been carried out. XRD patterns, Rietveld refinement, FT-Raman and FT-IR spectra showed that these crystals have a wolframite-type monoclinic structure. The Raman and IR frequencies experimental results are in reasonable agreement with theoretically calculated results. UV-Vis absorption measurements shows an optical band gap value of 3.17 eV, while the calculated band structure has a value of 3.22 eV. The density of states indicate that the main orbitals involved in the electronic structure of β-ZnMoO4 crystals are (O 2p-valence band and Mo 4d-conduction band). Finally, PL properties of β-ZnMoO4 crystals are explained by means of distortions effects in octahedral [ZnO6] and [MoO6] clusters and inhomogeneous electronic distribution into the lattice with the electron density map. © 2013 Elsevier Ltd. All rights reserved.
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Experimental autoimmune encephalomyelitis (EAE) is an artificially induced demyelination of the central nervous system (CNS) that resembles multiple sclerosis in its clinical, histopathological, and immunological features. Activated Th1 and Th17 cells are thought to be the main immunological players during EAE development. This study was designed to evaluate peripheral and local contribution of IL-17 to acute and chronic EAE stages. C57BL/6 mice were immunized with MOG plus complete Freund's adjuvant followed by pertussis toxin. Mice presented an initial acute phase characterized by accentuated weight loss and high clinical score, followed by a partial recovery when the animals reached normal body weight and smaller clinical scores. Spleen cells stimulated with MOG produced significantly higher levels of IFN-γ during the acute period whereas similar IL-17 levels were produced during both disease stages. CNS-infiltrating cells stimulated with MOG produced similar amounts of IFN-γ but, IL-17 was produced only at the acute phase of EAE. The percentage of Foxp3+ Treg cells, at the spleen and CNS, was elevated during both phases. The degree of inflammation was similar at both disease stages. Partial clinical recovery observed during chronic EAE was associated with no IL-17 production and presence of Foxp3+ Treg cells in the CNS. © 2013 Sofia Fernanda Gonçalves Zorzella-Pezavento et al.
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The Brazilian government has been encouraging fish farming in cages in federal water bodies, including hydroelectric reservoirs. Despite the government support, it is a new activity and the production model still needs some adjustment to reduce the production costs and achieve sustainability. The aims of this study were to determine the appropriate stocking density of Nile tilapia in cages in a hydroelectric reservoir and to evaluate to what extent fish size selection could improve their uniformity. Twelve cages (6m3) were placed at the Fish Farmers' Cooperative of Santa Fé do Sul and Region, Ilha Solteira reservoir, São Paulo, Brazil (20°12'10″S, 50°58'31.15″W). In stage I (initial fish weight, 78g), four stocking densities were tested: D1-800, D2-2000, D3-2500 and D4-3000 fish/cage, with three replicates. At the end of this stage (average fish weight, 255g), the fish were selected into three sizes, except for D1. In stage II, four stocking densities were tested, designed to obtain the following final production: D1-100kg/m3 (800 non-selected fish/cage), D2-80kg/m3 (600 fish/cage), D3-100kg/m3 (800 fish/cage) and D4-120kg/m3 (900 fish/cage). The trial ended when the fish weighed 800g. By reducing the initial stocking density from 2500 to 800 tilapia juveniles per cage, there was no need for selection. The growth performance was higher, the feed conversion rate was better and the time taken to reach harvesting was shorter. Consequently, the production cost reduced and the operating profit increased. Using the lowest initial stocking density, the risk of disease outbreak was also lower, and there was no need to use drugs for disease control since the mortality rate and occurrences of disease and deformity decreased and the dissolved oxygen level inside the cages was higher. © 2013 Elsevier B.V.
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This paper reports on the structural characterization of Pb 1-xLaxZr0.40Ti0.60O3 (PLZT) ferroelectric ceramic compositions prepared by the conventional solid state reaction method. X-ray absorption spectroscopy (XAS) and Raman spectroscopy were used to probe the local structure of PLZT samples that exhibits a normal and relaxor ferroelectric behavior. From the Zr K-edge and Pb LIII-edge EXAFS spectra, a considerable dissymmetry of Zr and Pb sites was observed in all samples, including those showing a long-range order cubic symmetry and a relaxor behavior. The Raman spectroscopy results confirmed the existence of a local disorder in all PLZT samples through the observation of Raman active vibrational modes. The variation in the intensity of the E(TO 3) mode in the PLZT relaxor samples indicates that the process of correlation between nanodomains stabilizes at temperatures lower than T m. © 2013 Elsevier B.V. All rights reserved.
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Rev.1 sólo en español
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Incluye Bibliografía
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A estrutura populacional (machos, fêmeas e juvenis) e densidade de Mesacanthion hirsutum Gerlach foram estudadas durante as marés (baixa, enchente, alta e vazante) de dois ciclos de maré consecutivos, em quatro meses diferentes do ano (Maio, Julho, Setembro e Novembro). As variações de densidade de Mesacanthion hirsutum mostraram associação com o ciclo de chuvas, com densidades mais baixas durante Julho e Setembro e significativamente maiores em Maio e Novembro. A estrutura populacional constituiu-se em sua maior parte por juvenis indicando uma reprodução continua durante todo o período de estudo. Não foram encontradas diferenças significativas entre os períodos claros e escuros do dia, contudo maiores densidades foram detectadas durante as marés altas e vazantes demonstrando que a espécie pode estar se dispersando através da coluna d'água e/ou migrando dentro do sedimento.
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The pristine boron nitride nanotubes have a large direct band gap around 5 eV. This band gap can be engineered by doping. We investigate electronic structure of the doped hexagonal boron nitride (5,5) nanotubes using the linearized augmented cylindrical wave method. In particular, this work focuses on systematical study of the band gap and the density of states around the Fermi-level when the nanotubes are doped by intrinsic impurities of two substitutional boron atoms in a super cell and a comparative analysis of the relative stability of three structures studied here. This corresponds to 3.3% of impurity concentration. We calculate 29 configurations of the nanotubes with different positions of the intrinsic impurities in the nanotube. The band gap and density of states around the Fermi level show strong dependence on the relative positions of the impurity atoms. The two defect sub bands called D∏(B) appear in the band gap of the pristine nanotube. The doped nanotubes possess p-type semiconductor properties with the band gap of 1.3-1.9 eV.
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Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)