953 resultados para local potential approximation
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Effects of the nonlocality of factorizable potentials are taken into account in the calculation of nucleus-nucleus fusion cross section through an effective mass approach. This cross section makes use of the tunneling factor calculated for the nonlocal barrier, without the explicit introduction of any result coming from coupled channel calculation, besides the approximations of Hill-Wheeler and Wong. Its new expression embodies the nonlocal effects in a factor which redefines the local potential barrier curvature. Applications to different systems, namely O-16 + Co-59, O-16,O-18 + Ni-58,Ni-60,Ni-64, and O-16,O-18 + Cu-63,Cu-65 are presented, where the nonlocal range is treated as a free parameter.
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The nature of intense visible photoluminescence at room temperature of SrWO4 (SWO) non-crystalline thin films is discussed in the light of experimental results and theoretical calculations. The SWO thin films were synthesized by the polymeric precursors method. Their structural properties have been obtained by X-ray diffraction data and the corresponding photoluminescence (PL) spectra have been measured. The UV-vis optical spectra measurements suggest the creation of localized states in the disordered structure. The photoluminescence measurements reveal that the PL changes with the degree of disorder in the SWO thin film. To understand the origin of visible PL at room temperature in disordered SWO, we performed quantum-mechanical calculations on crystalline and disordered SWO periodic models. Their electronic structures are analyzed in terms of DOS, hand dispersion and charge densities. We used DFT method with the hybrid non-local B3LYP approximation. The polarization induced by the symmetry break and the existence of localized levels favors the creation of trapped holes and electrons, giving origin to the room temperature photoluminescence phenomenon in the SWO thin films. (c) 2004 Elsevier B.V. All rights reserved.
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Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)
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We consider a charged Brownian gas under the influence of external and non-uniform electric, magnetic and mechanical fields, immersed in a non-uniform bath temperature. With the collision time as an expansion parameter, we study the solution to the associated Kramers equation, including a linear reactive term. To the first order we obtain the asymptotic (overdamped) regime, governed by transport equations, namely: for the particle density, a Smoluchowski- reactive like equation; for the particle's momentum density, a generalized Ohm's-like equation; and for the particle's energy density, a MaxwellCattaneo-like equation. Defining a nonequilibrium temperature as the mean kinetic energy density, and introducing Boltzmann's entropy density via the one particle distribution function, we present a complete thermohydrodynamical picture for a charged Brownian gas. We probe the validity of the local equilibrium approximation, Onsager relations, variational principles associated to the entropy production, and apply our results to: carrier transport in semiconductors, hot carriers and Brownian motors. Finally, we outline a method to incorporate non-linear reactive kinetics and a mean field approach to interacting Brownian particles. © 2011 Elsevier B.V. All rights reserved.
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We report on recent estimates of the J/Ψ mass shift in infinite nuclear matter and finite nuclei arising from in-medium D and D* meson loops. The density dependence of the J/Ψ mass shift is evaluated employing medium-modified D and D* meson masses derived within the quark-meson coupling model. Using a local density approximation, J/Ψ-nuclear bound state energies are calculated for a range of nuclei. We predict that J/Ψ-nuclear bound states should be observed with a clear signal in experiments, provided the J/Ψ meson is produced in recoilless kinematics. © Published under licence by IOP Publishing Ltd.
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Trapped degenerate dipolar Bose and Fermi gases of the cylindrical symmetry with the polarization vector along the symmetry axis are only stable for the strength of dipolar interaction below a critical value. In the case of bosons, the stability of such a dipolar Bose-Einstein condensate (BEC) is investigated for different strengths of contact and dipolar interactions using a variational approximation and a numerical solution of a mean-field model. In the disc shape, with the polarization vector perpendicular to the plane of the disc, the atoms experience an overall dipolar repulsion and this fact should contribute to the stability. However, a complete numerical solution of the dynamics leads to the collapse of a strongly disc-shaped dipolar BEC due to the long-range anisotropic dipolar interaction. In the case of fermions, the stability of a trapped single-component degenerate dipolar Fermi gas is studied including the Hartree-Fock exchange and Brueckner-Goldstone correlation energies in the local-density approximation valid for a large number of atoms. Estimates for the maximum allowed number of polar Bose and Fermi molecules in the BEC and degenerate Fermi gas are given. © 2013 IOP Publishing Ltd.
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The best description of water resources for Grand Turk was offered by Pérez Monteagudo (2000) who suggested that rain water was insufficient to ensure a regular water supply although water catchment was being practised and water catchment possibilities had been analysed. Limestone islands, mostly flat and low lying, have few possibilities for large scale surface storage, and groundwater lenses exist in very delicate equilibrium with saline seawater, and are highly likely to collapse due to sea level rise, improper extraction, drought, tidal waves or other extreme event. A study on the impact of climate change on water resources in the Turks and Caicos Islands is a challenging task, due to the fact that the territory of the Islands covers different environmental resources and conditions, and accurate data are lacking. The present report is based on collected data wherever possible, including grey data from several sources such as the Intergovernmental Panel on Climate Change (IPCC) and Cuban meteorological service data sets. Other data were also used, including the author’s own estimates and modelling results. Although challenging, this was perhaps the best approach towards analysing the situation. Furthermore, IPCC A2 and B2 scenarios were used in the present study in an effort to reduce uncertainty. The main conclusion from the scenario approach is that the trend observed in precipitation during the period 1961 - 1990 is decreasing. Similar behaviour was observed in the Caribbean region. This trend is associated with meteorological causes, particularly with the influence of the North Atlantic Anticyclone. The annual decrease in precipitation is estimated to be between 30-40% with uncertain impacts on marine resources. After an assessment of fresh water resources in Turks and Caicos Islands, the next step was to estimate residential water demand based on a high fertility rate scenario for the Islands (one selected from four scenarios and compared to countries having similar characteristics). The selected scenario presents higher projections on consumption growth, enabling better preparation for growing water demand. Water demand by tourists (stopover and excursionists, mainly cruise passengers) was also obtained, based on international daily consumption estimates. Tourism demand forecasts for Turks and Caicos Islands encompass the forty years between 2011 and 2050 and were obtained by means of an Artificial Neural Networks approach. for the A2 and B2 scenarios, resulting in the relation BAU>B2>A2 in terms of tourist arrivals and water demand levels from tourism. Adaptation options and policies were analysed. Resolving the issue of the best technology to be used for Turks and Caicos Islands is not directly related to climate change. Total estimated water storage capacity is about 1, 270, 800 m3/ year with 80% capacity load for three plants. However, almost 11 desalination plants have been detected on Turks and Caicos Islands. Without more data, it is not possible to estimate long term investment to match possible water demand and more complex adaptation options. One climate change adaptation option would be the construction of elevated (30 metres or higher) storm resistant water reservoirs. The unit cost of the storage capacity is the sum of capital costs and operational and maintenance costs. Electricity costs to pump water are optional as water should, and could, be stored for several months. The costs arising for water storage are in the range of US$ 0.22 cents/m3 without electricity costs. Pérez Monteagudo (2000) estimated water prices at around US$ 2.64/m3 in stand points, US$ 7.92 /m3 for government offices, and US$ 13.2 /m3for cistern truck vehicles. These data need to be updated. As Turks and Caicos Islands continues to depend on tourism and Reverse Osmosis (RO) for obtaining fresh water, an unavoidable condition to maintaining and increasing gross domestic product(GDP) and population welfare, dependence on fossil fuels and vulnerability to increasingly volatile prices will constitute an important restriction. In this sense, mitigation supposes a synergy with adaptation. Energy demand and emissions of carbon dioxide (CO2) were also estimated using an emissions factor of 2. 6 tCO2/ tonne of oil equivalent (toe). Assuming a population of 33,000 inhabitants, primary energy demand was estimated for Turks and Caicos Islands at 110,000 toe with electricity demand of around 110 GWh. The business as usual (BAU), as well as the mitigation scenarios were estimated. The BAU scenario suggests that energy use should be supported by imported fossil fuels with important improvements in energy efficiency. The mitigation scenario explores the use of photovoltaic and concentrating solar power, and wind energy. As this is a preliminary study, the local potential and locations need to be identified to provide more relevant estimates. Macroeconomic assumptions are the same for both scenarios. By 2050, Turks and Caicos Islands could demand 60 m toe less than for the BAU scenario.
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A simulação de uma seção sísmica de afastamento-nulo (ZO) a partir de dados de cobertura múltipla para um meio 2-D, através do empilhamento, é um método de imageamento de reflexão sísmica muito utilizado, que permite reduzir a quantidade de dados e melhorar a relação sinal/ruído. Segundo Berkovitch et al. (1999) o método Multifoco está baseado na Teoria do Imageamento Homeomórfico e consiste em empilhar dados de cobertura múltipla com distribuição fonte-receptor arbitrária de acordo com uma nova correção de sobretempo, chamada Multifoco. Esta correção de sobretempo esta baseada numa aproximação esférica local da frente de onda focalizante na vizinhança da superfície da terra. Este método permite construir uma seção sísmica no domínio do tempo de afastamento nulo aumentando a relação sinal/ruído. A técnica Multifoco não necessita do conhecimento a priori de um macro-modelo de velocidades. Três parâmetros são usados para descrever a aproximação de tempo de trânsito, Multifoco, os quais são: 1) o ângulo de emergência do raio de afastamento nulo ou raio de reflexão normal (β0), 2) a curvatura da frente de onda no Ponto de Incidência Normal (RNIP) e 3) curvatura da frente de Onda Normal (RN). Sendo também necessário a velocidade próximo a superfície da terra. Neste trabalho de tese aplico esta técnica de empilhamento Multifoco para dados de cobertura múltipla referidos a modelos de velocidade constante e modelo heterogêneos, com o objetivo de simular seções sísmicas afastamento-nulo. Neste caso, como se trata da solução de um problema direto, o macro-modelo de velocidades é considerado conhecido a priori. No contexto do problema inverso tem-se que os parâmetros RNIP, RN e β0 podem ser determinados a partir da análise de coerência aplicada aos dados sísmicos de múltipla cobertura. Na solução deste problema a função objetivo, a ser otimizada, é definida pelo cálculo da máxima coerência existente entre os dados na superfície de empilhamento sísmico. Neste trabalho de tese nos discutimos a sensibilidade da aproximação do tempo de trânsito usado no empilhamento Multifoco, como uma função dos parâmetros RNIP, RN e β0. Esta análise de sensibilidade é feita de três diferentes modos: 1) a primeira derivada da função objetivo, 2) a medida de coerência, denominada semelhança, e 3) a sensibilidade no Empilhamento Multifoco.
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Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)
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It is often assumed that the hydrogen atoms in the thiol groups of a benzene-1,4-dithiol dissociate when Au-benzene-1,4-dithiol-Au junctions are formed. We demonstrate, by stability and transport property calculations, that this assumption cannot be made. We show that the dissociative adsorption of methanethiol and benzene-1,4-dithiol molecules on a flat Au(111) surface is energetically unfavorable and that the activation barrier for this reaction is as high as 1 eV. For the molecule in the junction, our results show, for all electrode geometries studied, that the thiol junctions are energetically more stable than their thiolate counterparts. Due to the fact that density functional theory (DFT) within the local density approximation (LDA) underestimates the energy difference between the lowest unoccupied molecular orbital and the highest occupied molecular orbital by several electron-volts, and that it does not capture the renormalization of the energy levels due to the image charge effect, the conductance of the Au-benzene-1,4-dithiol-Au junctions is overestimated. After taking into account corrections due to image charge effects by means of constrained-DFT calculations and electrostatic classical models, we apply a scissor operator to correct the DFT energy level positions, and calculate the transport properties of the thiol and thiolate molecular junctions as a function of the electrode separation. For the thiol junctions, we show that the conductance decreases as the electrode separation increases, whereas the opposite trend is found for the thiolate junctions. Both behaviors have been observed in experiments, therefore pointing to the possible coexistence of both thiol and thiolate junctions. Moreover, the corrected conductance values, for both thiol and thiolate, are up to two orders of magnitude smaller than those calculated with DFT-LDA. This brings the theoretical results in quantitatively good agreement with experimental data.
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Pós-graduação em Geografia - IGCE
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Pós-graduação em Geografia - IGCE
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Estimates of evapotranspiration on a local scale is important information for agricultural and hydrological practices. However, equations to estimate potential evapotranspiration based only on temperature data, which are simple to use, are usually less trustworthy than the Food and Agriculture Organization (FAO)Penman-Monteith standard method. The present work describes two correction procedures for potential evapotranspiration estimates by temperature, making the results more reliable. Initially, the standard FAO-Penman-Monteith method was evaluated with a complete climatologic data set for the period between 2002 and 2006. Then temperature-based estimates by Camargo and Jensen-Haise methods have been adjusted by error autocorrelation evaluated in biweekly and monthly periods. In a second adjustment, simple linear regression was applied. The adjusted equations have been validated with climatic data available for the Year 2001. Both proposed methodologies showed good agreement with the standard method indicating that the methodology can be used for local potential evapotranspiration estimates.
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We studied the spin-polarized charge densities in II-VI-based diluted magnetic superlattices formed of p-doped ZnTe:Mg/ZnTe:TM/ZnTe:Mg non-magnetic/magnetic/non-magnetic layers, with TM standing for transition metal. The calculations were performed within a self-consistent k.p method, in which are also taken into account the exchange correlation effects in the local density approximation. Our results show a limit for the width of the non-magnetic layer for which the difference between the opposite spin charge densities is maximized, indicating the best conditions to obtain full polarization by varying the TM content. We also discuss these effects in the calculated photoluminescence spectra. Our findings point to the possibility of engineering the spin-polarized charge distribution by varying the widths of the magnetic and non-magnetic layers and/or varying the TM concentration in the magnetic layers, thus providing a guide for future experiments. (c) 2012 Elsevier B.V. All rights reserved.
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This work reports on the results of magnetophotoluminescence (MPL) measurements carried out in a sample containing two Al0.35Ga0.65As/GaAs, coupled double quantum wells (CDQWs), with inter-well barriers of different thicknesses, which have the heterointerfaces characterized by a distribution of bimodal roughness. The MPL measurements were performed at 4 K, with magnetic fields applied parallel to the growth direction, and varying from 0 to 12 T. The diamagnetic shift of the photoluminescence (PL) peaks is more sensitive to changes in the confinement potential, due to monolayer variations in the mini-well thickness, rather than to the exciton localization at the local potential fluctuations. As the magnetic field increases, the relative intensities of the two peaks in each PL band inverts, what is attributed to the reduction in the radiative lifetime of the delocalized excitons, which results in the radiative recombination, before the excitonic migration between the higher and lower energy regions in each CDQW occurs. The dependence of the full width at half maximum (FWHM) on magnetic field shows different behaviors for each PL peak, which are attributed to the different levels and correlation lengths of the potential fluctuations present in the regions associated with each recombination channel. (C) 2011 Elsevier B.V. All rights reserved.