A theoretical investigation of the structural and eletronic properties of orthorhombic CaZrO3

A CaZrO3 (CZO) powder was prepared by the soft chemical, polymeric precursor method (PPM). The CZO crystalline structure was investigated by powder X-ray diffraction (XDR), Retvield Refinament data, Raman spectra and ultraviolet–visible absorption spectroscopy. A theoretical study was performed using a periodic quantum mechanical calculation (CRYSTAL09 program). The periodic model built for the crystalline CZO structure was consistent with the experimental data obtained from structural and electronic properties. These results show that the material has an orthorhombic structure with experimental and theoretical gap values of 5.7 eV and 6.2 eV, respectively. In this article, we discuss the hybridization process of the oxygen p-orbitals and of the zirconium d-orbitals and analyze their band structures and density of states (partial and total).

Experimental and theoretical studies of photoluminescence in Zns obtained by microwave-assisted solvothermal method

A shift of the photoluminescence (PL) emission was observed in ZnS prepared by microwave assisted solvothermal method with the increase of the time in microwave. In this work we reported a study of the optical behavior linking with the structural disorder according to XRD and FEG-TEM results. The reduction of intrinsic defects in the lattice is responsible for the decrease of electronic levels in the band gap changing the PL profile. This effect was confirmed by electronic structure calculations.

Freezing Distortions and Photoluminescence Property in PbMoO4 Micro Octahedrons: An Experimental and Theoretical Study

In this paper, we report a detailed structural and electronic characterization of PbMoO4 crystals by using a conventional hydrothermal (CH) method. The samples were characterized by X-ray diffraction (XRD), Fourier transform Raman (FT-Raman), field-emission gun scanning electron microscopy (FEG-SEM) and photoluminescence (PL) measurements. In addition, first-principles quantum mechanical calculations based on the density functional theory were employed in order to understand the band structure and density of states for the PbMoO4. Analysis of both theoretical and experimental results allows to rationalize the role of order-disorder effects in the observed green PL emissions in these ordered powders.

Controle robusto de sistemas não lineares e chaveado de sistemas lineares usando realimentação derivativa

Pós-graduação em Engenharia Elétrica - FEIS

Fractal descriptors for discrimination of microscopy images of plant leaves

This study proposes the application of fractal descriptors method to the discrimination of microscopy images of plant leaves. Fractal descriptors have demonstrated to be a powerful discriminative method in image analysis, mainly for the discrimination of natural objects. In fact, these descriptors express the spatial arrangement of pixels inside the texture under different scales and such arrangements are directly related to physical properties inherent to the material depicted in the image. Here, we employ the Bouligand-Minkowski descriptors. These are obtained by the dilation of a surface mapping the gray-level texture. The classification of the microscopy images is performed by the well-known Support Vector Machine (SVM) method and we compare the success rate with other literature texture analysis methods. The proposed method achieved a correctness rate of 89%, while the second best solution, the Co-occurrence descriptors, yielded only 78%. This clear advantage of fractal descriptors demonstrates the potential of such approach in the analysis of the plant microscopy images.

Genetic divergence among maize hybrids by morphological descriptors

Two experiments with 25 maize commercial hybrids were carried out in a direct sowing system in Southern Brazil in the harvests of 2009/2010 and 2010/2011. Quantitative descriptors were used with the objective of determining the genetic divergence and the relative contributions of traits among hybrids for extraction of inbred lines. This study was carried out in Oxisol soil using a randomized block design with four replicates. Data were subjected to combined analysis of variance, and based on the multivariate analyses, Tocher and average linkage (UPGMA) cluster analyses, based on generalized distance of Mahalanobis, to quantify divergence in addition to Singh criterion to validate trait with the most contribution. The multivariate methods were consistent with each other, and the weight of 100 grains was the trait that contributed most to the divergence and had similar behavior in grain yield between hybrids in both years. Furthermore, this descriptor representing significant genetic variability for crossings and lines extraction to hybridization between BM 3061, ATL 200 and P 30B39 Y.

Competência lexical na proficiência do professor de inglês como língua estrangeira: uma análise do teste oral do epple

Pós-graduação em Estudos Linguísticos - IBILCE

Automatic method to classify images based on multiscale fractal descriptors and paraconsistent logic

In this study is presented an automatic method to classify images from fractal descriptors as decision rules, such as multiscale fractal dimension and lacunarity. The proposed methodology was divided in three steps: quantification of the regions of interest with fractal dimension and lacunarity, techniques under a multiscale approach; definition of reference patterns, which are the limits of each studied group; and, classification of each group, considering the combination of the reference patterns with signals maximization (an approach commonly considered in paraconsistent logic). The proposed method was used to classify histological prostatic images, aiming the diagnostic of prostate cancer. The accuracy levels were important, overcoming those obtained with Support Vector Machine (SVM) and Bestfirst Decicion Tree (BFTree) classifiers. The proposed approach allows recognize and classify patterns, offering the advantage of giving comprehensive results to the specialists.

A survey on the set of periods of the graph homeomorphisms

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Elucidating the real-time Ag nanoparticle growth on alpha-Ag2WO4 during electron beam irradiation: experimental evidence and theoretical insights

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

A combined experimental and theoretical study on the formation of ag filaments on beta-Ag2MoO4 induced by electron irradiation

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

Theoretical study of molecular and electronic structures of 5(1) knot systems: two-layered ONIOM calculations

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

Hypobromous acid, a powerful endogenous electrophile: Experimental and theoretical studies

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

Plant identification based on leaf midrib cross-section images using fractal descriptors

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

Fingerprints of short-range and long-range structure in BaZr1-xHfxO3 solid solutions: an experimental and theoretical study

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