974 resultados para Schrodinger, Operadores de


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Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

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This work aims to present the electrical behavior of two mechanical processing equipment of wood, the saw vertical tape and the wood chipper. Their characteristics in real operating conditions and the electrical behavior of devices in terms of energy efficiency is shown through the study of individual power factor are presented in this study. It was observed that both devices operate unloaded for some intervals of time and this contributes to a low power factor. It is concluded that improved production planning and better preparation of the operators in the operations of sawing wood, in order to improve the power factor in sawmills is necessary.

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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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Pós-graduação em Física - IFT

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Pós-graduação em Matemática em Rede Nacional - IBILCE

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The main goal of this work is to investigate the effects of a nonlinear cubic term inserted in the Schrödinger equation for one-dimensional potentials studied in Quantum Mechanics textbooks. Being the main tool the numerical analysis in a large number of works, the analysis of this effect by this term in the potential itself, in order to work with an analytical solution, can be considered something new. For the harmonic oscillator potential, the analysis was made from a numerical method, comparing the result with the known results in the literature. In the case of the infinite well potential and the step potential, hoping to work with an analytical solution, by construction we started with the known wavefunction for the linear case noting the effects in the other physical quantities. The coupling of the physical quantities involved in this work has yielded, besides many complications in the calculations, a series of conditions on the existence and validity of the solutions in regard to the system possible configurations

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

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Molecular Dynamics (MD) simulation is one of the most important computational techniques with broad applications in physics, chemistry, chemical engineering, materials design and biological science. Traditional computational chemistry refers to quantum calculations based on solving Schrodinger equations. Later developed Density Functional Theory (DFT) based on solving Kohn-Sham equations became the more popular ab initio calculation technique which could deal with ~1000 atoms by explicitly considering electron interactions. In contrast, MD simulation based on solving classical mechanics equations of motion is a totally different technique in the field of computational chemistry. Electron interactions were implicitly included in the empirical atom-based potential functions and the system size to be investigated can be extended to ~106 atoms. The thermodynamic properties of model fluids are mainly determined by macroscopic quantities, like temperature, pressure, density. The quantum effects on thermodynamic properties like melting point, surface tension are not dominant. In this work, we mainly investigated the melting point, surface tension (liquid-vapor and liquid-solid) of model fluids including Lennard-Jones model, Stockmayer model and a couple of water models (TIP4P/Ew, TIP5P/Ew) by means of MD simulation. In addition, some new structures of water confined in carbon nanotube were discovered and transport behaviors of water and ions through nano-channels were also revealed.

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The main goal of this work is to investigate the effects of a nonlinear cubic term inserted in the Schrödinger equation for one-dimensional potentials studied in Quantum Mechanics textbooks. Being the main tool the numerical analysis in a large number of works, the analysis of this effect by this term in the potential itself, in order to work with an analytical solution, can be considered something new. For the harmonic oscillator potential, the analysis was made from a numerical method, comparing the result with the known results in the literature. In the case of the infinite well potential and the step potential, hoping to work with an analytical solution, by construction we started with the known wavefunction for the linear case noting the effects in the other physical quantities. The coupling of the physical quantities involved in this work has yielded, besides many complications in the calculations, a series of conditions on the existence and validity of the solutions in regard to the system possible configurations

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

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We show that the Kronecker sum of d >= 2 copies of a random one-dimensional sparse model displays a spectral transition of the type predicted by Anderson, from absolutely continuous around the center of the band to pure point around the boundaries. Possible applications to physics and open problems are discussed briefly.

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Purpose - The purpose of this paper is to develop an efficient numerical algorithm for the self-consistent solution of Schrodinger and Poisson equations in one-dimensional systems. The goal is to compute the charge-control and capacitance-voltage characteristics of quantum wire transistors. Design/methodology/approach - The paper presents a numerical formulation employing a non-uniform finite difference discretization scheme, in which the wavefunctions and electronic energy levels are obtained by solving the Schrodinger equation through the split-operator method while a relaxation method in the FTCS scheme ("Forward Time Centered Space") is used to solve the two-dimensional Poisson equation. Findings - The numerical model is validated by taking previously published results as a benchmark and then applying them to yield the charge-control characteristics and the capacitance-voltage relationship for a split-gate quantum wire device. Originality/value - The paper helps to fulfill the need for C-V models of quantum wire device. To do so, the authors implemented a straightforward calculation method for the two-dimensional electronic carrier density n(x,y). The formulation reduces the computational procedure to a much simpler problem, similar to the one-dimensional quantization case, significantly diminishing running time.