953 resultados para energy angular districution function
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Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)
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Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)
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In this work we show how to define the action of a scalar field such that the Robin boundary condition is implemented dynamically, i.e. as a consequence of the stationary action principle. We discuss the quantization of that system via functional integration. Using this formalism, we derive an expression for the Casimir energy of a massless scalar field under Robin boundary conditions on a pair of parallel plates, characterized by constants c(1) and c(2). Some special cases are discussed; in particular, we show that for some values of cl and c(2) the Casimir energy as a function of the distance between the plates presents a minimum. We also discuss the renormalization at one-loop order of the two-point Green function in the philambda(4) theory subject to the Robin boundary condition on a plate.
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Thermal degradation of natural rubber extracted from four different rubber clones of the Hevea brasiliensis species was investigated by thermogravimetry using Ozawa's approach to assess the kinetic parameters of the decomposition process. The results are discussed in terms of the order of reaction, kinetic parameters such as activation energy as a function of conversion degree, and thermal stability for each of the clones.
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The problem of power system stability including the effects of a flexible alternating current transmission system (FACTS) is approached. First, the controlled series compensation is considered in the machine against infinite bar system and its effects are taken into account by means of construction of a Lyapunov function (LF). This simple system is helpful in order to understand the form the device affects dynamic and transient performance of the power system. After, the multimachine case is considered and it is shown that the single-machine results apply to multimachine systems. An energy-form Lyapunov function is derived for the power system including the FACTS device and it is used to analyse damping and synchronizing effects due to the FACTS device in single-machine as well as in multimachine power systems. © 2005 Elsevier Ltd. All rights reserved.
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The deuteron binding energy and wave function are calculated by using the recently developed three-dimensional form of low-momentum nucleon-nucleon (NN) interaction. The homogeneous Lippmann-Schwinger equation is solved in momentum space by using the low-momentum two-body interaction, which is constructed from Malfliet-Tjon potential. The results for both, deuteron binding energy and wave function, obtained with low-momentum interaction, are compared with the corresponding results obtained with bare potential. © 2012 Springer-Verlag.
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Pós-graduação em Agronomia (Energia na Agricultura) - FCA
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Pós-graduação em Odontologia - FOA
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A theoretical approach aiming at the prediction of segregation of dopant atoms on nanocrystalline systems is discussed here. It considers the free energy minimization argument in order to provide the most likely dopant distribution as a function of the total doping level. For this, it requires as input (i) a fixed polyhedral geometry with defined facets, and (ii) a set of functions that describe the surface energy as a function of dopant content for different crystallographic planes. Two Sb-doped SnO2 nanocrystalline systems with different morphology and dopant content were selected as a case study, and the calculation of the dopant distributions expected for them is presented in detail. The obtained results were compared to previously reported characterization of this system by a combination of HRTEM and surface energy calculations, and both methods are shown to be equivalent. Considering its application pre-requisites, the present theoretical approach can provide a first estimation of doping atom distribution for a wide range of nanocrystalline systems. We expect that its use will support the reduction of experimental effort for the characterization of doped nanocrystals, and also provide a solution to the characterization of systems where even state-of-art analytical techniques are limited.
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Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)
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Pós-graduação em Física - IFT
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Monte Carlo simulations of water-tetrahydrofuran (THF) mixtures were performed in the isothermal-isobaric ensemble (NPT) at T = 298 K and p = 1 atm. The interaction energy was calculated using the TIP4P model for water and a five-site united atom representation for the THF molecule. The potential energy surfaces for water-THF interactions were obtained by using combining rules and the original potential functions used for pure liquids. Theoretical values obtained for the average interaction energy as a function of concentration are in good agreement with available experimental data. Results from the partitioning of the total interaction energy into water-water, water-THF and THF-THF contributions are presented. These results are useful to distinguish between the quantitative contributions of these molecular interactions to the energetic behavior of the water-THF mixing process. The radial distribution functions for HW-OTHF and OW-OTHF site-site interactions show the salient features of hydrogen-bonded liquids. Comparison of the average number of water-water complexes interacting through hydrogen bonding in water-THF and water-methanol mixtures shows an enhancement of the water-water coordination number in a THF rich environment. © 1995.
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Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)
Study of the oxygen vacancy influence on magnetic properties of Fe- and Co-doped SnO2 diluted alloys
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Transition-metal (TM)-doped diluted magnetic oxides (DMOs) have attracted attention from both experimental and theoretical points of view due to their potential use in spintronics towards new nanostructured devices and new technologies. In the present work, we study the magnetic properties of Sn0.96TM0.04O2 and Sn0.96TM0.04O1.98(V (O))(0.02), where TM = Fe and Co, focusing in particular in the role played by the presence of O vacancies nearby the TM. The calculated total energy as a function of the total magnetic moment per cell shows a magnetic metastability, corresponding to a ground state, respectively, with 2 and 1 mu(B)/cell, for Fe and Co. Two metastable states, with 0 and 4 mu(B)/cell were found for Fe, and a single value, 3 mu(B)/cell, for Co. The spin-crossover energies (E (S)) were calculated. The values are E (S) (0/2) = 107 meV and E (S) (4/2) = 25 meV for Fe. For Co, E (S) (3/1) = 36 meV. By creating O vacancies close to the TM site, we show that the metastablity and E (S) change. For iron, a new state appears, and the state with zero magnetic moment disappears. The ground state is 4 mu(B)/cell instead of 2 mu(B)/cell, and the energy E (S) (2/4) is 30 meV. For cobalt, the ground state is then found with 3 mu(B)/cell and the metastable state with 1 mu(B)/cell. The spin-crossover energy E (S) (1/3) is 21 meV. Our results suggest that these materials may be used in devices for spintronic applications that require different magnetization states.
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A metal-insulator transition in a two-dimensional semimetal based on HgTe quantum wells is discovered. The transition is induced by a magnetic field applied parallel to the plane of the quantum well. The threshold behavior of the activation energy as a function of the magnetic-field strength and an abrupt reduction of the Hall resistance at the onset of the transition suggest that the observed effect originates from the formation of an excitonic insulator.