Driving forces for the adsorption of cyclopentene on InP(001)

In this work the interaction of cyclopentene with a set of InP(001) surfaces is investigated by means of the density functional theory. We propose a simple approach for evaluating the surface strain and based on it we have found a linear relation between bond and strain energies and the adsorption energy. Our results also indicate that the higher the bond energy, the more disperse the charge distribution is around the adsorption site associated to the high occupied state, a key feature that characterizes the adsorption process. Different adsorption coverages are used to evaluate the proposed equation. Our results suggest that the proposed approach might be extended to other systems where the interaction of the semiconductor surface and the molecule is restricted to first neighbor sites. (C) 2011 Elsevier B.V. All rights reserved.

Electric field gradients in (111)In-doped (Hf/Zr)(3)Al(2) and (Hf/Zr)(4)Al(3) mixed compounds: ab initio calculations, perturbed angular correlation measurements and site preference

The quadrupolar hyperfine interactions of in-diffused (111)In -> (111)Cd probes in polycrystalline isostructural Zr(4)Al(3) and Hf(4)Al(3) samples containing small admixtures of the phases (Zr/Hf)(3)Al(2) were investigated. A strong preference of (111)In solutes for the contaminant (Zr/Hf)(3)Al(2) minority phases was observed. Detailed calculations of the electric field gradient (EFG) at the Cd nucleus using the full-potential augmented plane wave + local orbital formalism allowed us to assign the observed EFG fractions to the various lattice sites in the (Zr/Hf)(3)Al(2) compounds and to understand the preferential site occupation of the minority phases by the (111)In atoms. The effects of the size of the supercell and relaxation around the oversized In and Cd probe atoms were investigated in detail.

The role of carbon impurities on the Si(001)-c(4 x 4) surface reconstruction: Theoretical calculations

In this work we employ the state-of-the-art pseudopotential method, within a generalized gradient approximation to the density functional theory, combined with a recently developed method for the calculation of HREELS spectra to study a series of different proposed models for carbon incorporation on the silicon (001) surface. A fully discussion on the geometry, energetics and specially the comparison between experimental and theoretical STM images and electron energy loss spectra indicate that the Si(100)-c(4 x 4) is probably induced by Si-C surface dinners, in agreement with recent experimental findings. (C) 2009 Elsevier B.V. All rights reserved.

Furan interaction with the Si(001)-(2 x 2) surface: structural, energetics, and vibrational spectra from first-principles

In this work we employ the state of the art pseudopotential method, within a generalized gradient approximation to the density functional theory, to investigate the adsorption process of furan on the silicon (001) surface. A direct comparison of different adsorption structures with x-ray photoelectron spectroscopy (XPS), ultra-violet photoelectron spectroscopy (UPS), high resolution electron energy loss spectroscopy (HREELS), near edge x-ray absorption fine structure (NEXAFS), and high resolution spectroscopy experimental data allows us to identify the [4 + 2] cycloaddition reaction as the most probable adsorbate. In addition, theoretical scanning tunnelling microscopy (STM) images are presented, with a view to contributing to further experimental investigations.

Arranjo de antenas de microfita com substrato anisotrópico com patch supercondutor e aplicações em nanotecnologia

The main objective in this work is the analysis of resonance frequency microstrip structures with glass fiber and electromagnetic band gap (EBG/PBG) substrate and analysis of microstrip antennas with rectangular patch of superconductor of high critical temperature (HTS). In this work was used the superconductors YBCO (critical temperature of 90K), SnBaCaCuOy (critical temperature of 160K), and Sn5InCa2Ba4Cu10Oy (critical temperature of 212K) with results in Gigahertz and Terahertz. Was used microstrip antennas arrays planar and linear phase and linear phase planar with patch with superconductor. It presents a study of the major theories that explain superconductivity. In phase arrays were obtained the factors arrays for such configurations, and the criteria of phase and spacing between the elements compound in the array, which were examined in order to get a main lobe with high directivity and high gain. In the analysis we used the method of Transverse Transmission Line (TTL) used in domain of the Fourier Transform (FTD). The LTT is a full wave method, which obtains the electromagnetic field in terms of the components transverse of the structure. The addition of superconductive patch is made using the boundary condition resistive complex. Results are obtained resonance frequency as a function of the parameters of the antenna, radiation patterns of the E and H Planes, for the phase antenna arrays in linear and planar configurations, for different values of the phase and the spacing between elements

Antenas de microfita com patch supercondutor a 212 K

This work has as main objective to study the application of microstrip antennas with patch and use of superconducting arrays of planar and linear phase. Was presented a study of the main theories that explain clearly the superconductivity. The BCS theory, Equations of London and the Two Fluid Model are theories that supported the implementation of the superconducting microstrip antennas. Arrangements phase was analyzed in linear and planar configuration of its antennas are reported factors such arrays to settings and criteria of phase and the spacing between the elements that make the arrayst was reviewed in order to minimize losses due to secondary lobes. The antenna used has a rectangular patch Sn5InCa2Ba4Cu10Oy the superconducting material was analyzed by the method of Transverse Transmission Line (TTL) applied in the field of Fourier transform (FTD). The TTL is a full-wave method, which has committed to obtaining the electromagnetic fields in terms of cross-cutting components of the structure. The inclusion of superconducting patch is made using the boundary condition, complex resistive. Are obtained when the resonant frequency depending on the parameters of the antenna, radiation pattern of E-Plan and H-Plan for the M-phase arrangements of antennas in the linear and planar configurations for different values of phase and spacing between the elements.

Uma proposta de FSS fractal com geometria simplificada

Frequency Selective Surfaces (FSS) are periodic structures in one or two dimensions that act as spatial filters, can be formed by elements of type conductors patches or apertures, functioning as filters band-stop or band-pass respectively. The interest in the study of FSS has grown through the years, because such structures meet specific requirements as low-cost, reduced dimensions and weighs, beyond the possibility to integrate with other microwave circuits. The most varied applications for such structures have been investigated, as for example, radomes, antennas systems for airplanes, electromagnetic filters for reflective antennas, absorbers structures, etc. Several methods have been used for the analysis of FSS, among them, the Wave Method (WCIP). Are various shapes of elements that can be used in FSS, as for example, fractal type, which presents a relative geometric complexity. This work has as main objective to propose a simplification geometric procedure a fractal FSS, from the analysis of influence of details (gaps) of geometry of the same in behavior of the resonance frequency. Complementarily is shown a simple method to adjust the frequency resonance through analysis of a FSS, which uses a square basic cell, in which are inserted two reentrance and dimensions these reentrance are varied, making it possible to adjust the frequency. For this, the structures are analyzed numerically, using WCIP, and later are characterized experimentally comparing the results obtained. For the two cases is evaluated, the influence of electric and magnetic fields, the latter through the electric current density vector. Is realized a bibliographic study about the theme and are presented suggestions for the continuation of this work

Caracterização de circuitos planares de micro-ondas pelo método iterativo das ondas

The planar circuits are structures that increasingly attracting the attention of researchers, due the good performance and capacity to integrate with other devices, in the prototyping of systems for transmitting and receiving signals in the microwave range. In this context, the study and development of new techniques for analysis of these devices have significantly contributed in the design of structures with excellent performance and high reliability. In this work, the full-wave method based on the concept of electromagnetic waves and the principle of reflection and transmission of waves at an interface, Wave Concept Iterative Procedure (WCIP), or iterative method of waves is described as a tool with high precision study microwave planar circuits. The proposed method is applied to the characterization of planar filters, microstrip antennas and frequency selective surfaces. Prototype devices were built and the experimental results confirmed the proposed mathematical model. The results were also compared with simulated results by Ansoft HFSS, observing a good agreement between them.

N=2 sigma models for Ramond-Ramond backgrounds

Using the U(4) hybrid formalism, manifestly N = (2,2) worldsheet supersymmetric sigma models are constructed for the type-IIB superstring in Ramond-Ramond backgrounds. The Kahler potential in these N = 2 sigma models depends on four chiral and antichiral bosonic superfields and two chiral and antichiral fermionic superfields. When the Kahler potential is quadratic, the model is a free conformal field theory which describes a flat ten-dimensional target space with Ramond-Ramond flux and non-constant dilaton. For more general Kahler potentials, the model describes curved target spaces with Ramond-Ramond flux that are not plane-wave backgrounds. Ricci-flatness of the Kahler metric implies the on-shell conditions for the background up to the usual four-loop conformal anomaly.

Remarks on Bessel beams, signals and superluminality

We address the question about the velocity of signals carried by Bessel beams wave packets propagating in vacuum and having well defined wavefronts in time. We find that this problem in analogous to that of propagation of usual plane wave packets within dispersive media and conclude that the signal velocity cannot be superluminal. (C) 2001 Elsevier B.V. B.V. All rights reserved.

N = 2 sigma models for Ramond-Ramond backgrounds

Using the U(4) hybrid formalism, manifestly N = (2,2) worldsheet supersymmetric sigma models are constructed for the type-IIB superstring in Ramond-Ramond backgrounds. The Kahler potential in these N = 2 sigma models depends on four chiral and antichiral bosonic superfields and two chiral and antichiral fermionic superfields. When the Kahler potential is quadratic, the model is a free conformal field theory which describes a flat ten-dimensional target space with Ramond-Ramond flux and non-constant dilaton. For more general Kahler potentials, the model describes curved target spaces with Ramond-Ramond flux that are not plane-wave backgrounds. Ricci-flatness of the Kahler metric implies the on-shell conditions for the background up to the usual four-loop conformal anomaly. © SISSA/ISAS 2002.

CO 2 adsorption on polar surfaces of ZnO

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.

Avaliação não-destrutiva de madeiras para dormentes ferroviários

Pós-graduação em Agronomia (Energia na Agricultura) - FCA

Influência da qualidade das lâminas no desempenho físico-mecânico de painéis compensados de Hevea brasiliensis

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

Desempenho físico-mecânico de painéis LVL de pinus tropicais da região de São Paulo

Pós-graduação em Agronomia (Energia na Agricultura) - FCA