First Principle Calculation
Mostrando 1-10 de 10 artigos, teses e dissertações.
-
1. Microstructural Evolution and Phase Transformation of a Ti-5Nb-5Al Alloy During Annealing Treatment
The microstructural evolution and phase transformation of a Ti-5Nb-5Al alloy during isothermal annealing treatment were studied in this paper. The microstructural evolution was analyzed by X-ray diffraction (XRD), scanning electron microscope (SEM) equipped with X-ray energy dispersive spectroscopy (EDS) and electron backscattering diffraction (EBSD). The fi
Mat. Res.. Publicado em: 05/12/2019
-
2. Three-Dimensional Rail-Bridge Coupling Element of Unequal Lengths for Analyzing Train-Track-Bridge Interaction System
Abstract A three-dimensional rail-bridge coupling element of unequal lengths in which the length of the rail element is shorter than that of the bridge element is presented in this paper to investigate the spatial dynamic responses of a train-track-bridge interaction system. Formulation of stiffness and damping matrices for the fastener, ballast, and bearing
Lat. Am. j. solids struct.. Publicado em: 2016-12
-
3. A ampliação do espaço da moral no utilitarismo de John Stuart Mill: uma comparação com a moral do utilitarismo de Bentham / The ampliation of morality place on John Stuart Mill\ s utilitarianism: a comparison with Bentham\ s utilitarian morality
This work aims to prove that there is more place for the elaboration of moral rules in Mills utilitarianism when compared to Benthams utilitarianism. To prove this thesis it is necessary that Mills conception of human nature be more complex than Benthams conception of human nature, given the fact that it is science of human nature which holds the foundation
IBICT - Instituto Brasileiro de Informação em Ciência e Tecnologia. Publicado em: 18/08/2011
-
4. First-Principles Study of Peapods Carbon under Hydrostatic Pressure / Estudo de Primeiros Princípios de Peapods de Carbono sob Pressão Hidrostática
Neste trabalho foram estudadas as propriedades estruturais, energéticas e eletrônicas de bundles de peapods de carbono C60@(17,0) submetidos à variação de pressão hidrostática. Para estudar tais propriedades, utilizamos cálculos quânticos de primeiros princípios baseados na teoria do funcional da densidade com a aproximação do gradiente generaliz
Publicado em: 2010
-
5. First principle calculation of potential and multi-channel transport in Fe/MgO/Fe hetero-junction
In this work we studied the behavior of multi-channel tunneling through a realistic Fe/MgO/Fe hetero-junction ab initio potential. For this purpose we obtained Fe/MgO/Fe(001) hetero-junction effective potentials using the full potential-linear augmented plane wave WIEN2k code together with the generalized gradient approximation for the exchange-correlation p
Brazilian Journal of Physics. Publicado em: 2009-04
-
6. Study of First Principles of Bundles of Nanotubes of Boron Nitride, under Pressure Hydrostatic / Estudo de Primeiros Princípios de Bundles de Nanotubos de Nitreto de Boro sob Pressão Hidrostática
In this work were studied the electronic, vibrations and structural properties of boron nitride nanotube bundles (16,0), (12,0) and (8,0), when submitted to the hydrostatic pressure changes. To study such properties, we used the ab initio method employing density functional theory in the approach of the generalized gradient approximation. All the simulations
Publicado em: 2007
-
7. Prototype for thoracic and abdominal instrumentalizeted cirtometry / Protótipo para cirtometria torácica e abdominal instrumentalizada
The aim of this work was to build and to validate an instrument to evaluate the breathing musculature through the difference of the thoracic and abdominal perimeter during the breathing and an evaluation procedure for the same. The study was characterized as experimental research and technological development. The collections were accomplished in the Laborat
Publicado em: 2004
-
8. Programa de modernizaÃÃo da administraÃÃo tributÃria: o caso da SecretÃria de FinanÃas da Prefeitura do Recife
The aim of this work was to evaluate the Tax Administration Modernization Programme of the Municipality of Recife â TAMP/Recife, in 1998, from a point of view of increasing the municipalities income tax tributes, and bettering the quality of attention given to the tax paying citizens. These were the two principal central objectives of the referred programme
Publicado em: 2004
-
9. Detection and Integration of Genotyping Errors in Statistical Genetics
Detection of genotyping errors and integration of such errors in statistical analysis are relatively neglected topics, given their importance in gene mapping. A few inopportunely placed errors, if ignored, can tremendously affect evidence for linkage. The present study takes a fresh look at the calculation of pedigree likelihoods in the presence of genotypin
The American Society of Human Genetics.
-
10. Determination of the mechanical properties of the different layers of blood vessels in vivo.
The structure and materials of the blood vessel wall are layered. This article presents the principle of a method to determine the mechanical properties of the different layers in vivo. In vivo measurement begets in vivo data and avoids pitfalls of in vitro tests of dissected specimens. With the proposed method, we can measure vessels of diameters 100 micron