First principles calculations on the origin of violet-blue and green light photoluminescence emission in SrZrO3 and SrTiO3 perovskites

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

Fully relativistic calculations on the potential energy surfaces of the lowest 23 states of molecular chlorine

The electronic structure and spectroscopic properties (R(e), omega(e), omega(e)x(e), beta(e), and T(e)) of the ground state and the 22 lowest excited states of chlorine molecule were studied within a four-component relativistic framework using the MOLFDIR program package. The potential energy curves of all possible 23 covalent states were calculated using relativistic complete open shell configuration interaction approach. In addition, four component multireference configuration interaction with single and double excitation calculations were performed in order to infer the effects due to dynamical correlation in vertical excitations. The calculated properties are in good agreement with the available experimental data.

Search for decay of a fermiophobic higgs boson hf→ y y with the D0 detector at s=1.96a TeV

We report the results of a search for a narrow resonance decaying into two photons in 1.1fb-1 of data collected by the D0 experiment at the Fermilab Tevatron Collider during the period 20022006. We find no evidence for such a resonance and set a lower limit on the mass of a fermiophobic Higgs boson of mhf>100GeV at the 95% C.L. This exclusion limit exceeds those obtained in previous searches at the Fermilab Tevatron and covers a significant region of the parameter space B(hf→I I ) vs mhf which was not accessible at the CERN Large Electron-Positron Collider. © 2008 The American Physical Society.

Distributed generation modelling for unbalanced three-phase power flow calculations in smart grids

Distributed Generators (DG) are generally modeled as PQ or PV buses in power flow studies. But in order to integrate DG units into the distribution systems and control the reactive power injection it is necessary to know the operation mode and the type of connection to the system. This paper presents a single-phase and a three-phase mathematical model to integrate DG in power flow calculations in distribution systems, especially suited for Smart Grid calculations. If the DG is in PV mode, each step of the power flow algorithm calculates the reactive power injection from the DG to the system to keep the voltage in the bus in a predefined level, if the DG is in PQ mode, the power injection is considered as a negative load. The method is tested on two well known test system, presenting single-phase results on 85 bus system, and three-phase results in the IEEE 34 bus test system. © 2011 IEEE.

Three-Dimensional Low-Momentum Interaction in Two-Body Bound State Calculations

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.

Hydrostatic and [001] uniaxial pressure on anatase TiO2 by periodic B3LYP-D* calculations

The effect of high hydrostatic and [001] uniaxial pressures on TiO 2 anatase was studied under the framework of periodic calculations with the inclusion of DFT-D2 dispersion potential adjusted for this system (B3LYP-D*). The role of dispersion in distorted unit cells was evaluated in terms of lattice parameters, elastic constants, equation of state, vibrational properties, and electronic properties (band structure and density of states). A more reliable description at high pressures was achieved because the B3LYP-D* presented an improvement in all properties for undistorted bulk over conventional B3LYP and B3LYP-D. From density of states analysis, we observed that the contribution of crystalline orbitals to the edge of valence and conduction bands changed within applied pressure. The studied distortions can give some insight into behavior of electronic and structural properties due to local stress in anatase bulk from doping, defects, and physical tensions in nanometric forms. © 2013 American Chemical Society.

Ideas of four-fermion operators in electromagnetic form factor calculations

Four-fermion operators have been used in the past to link the quark-exchange processes in the interaction of hadrons with the effective meson-exchange amplitudes. In this paper, we apply the similar idea of a Fierz rearrangement to the self-energy and electromagnetic processes and focus on the electromagnetic form factors of the nucleon and the electron. We explain the motivation of using four-fermion operators and discuss the advantage of this method in computing electromagnetic processes. © 2013 American Physical Society.

Estudo do annealing de traços de fissão em epídoto

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Influência do aporte de calor e da velocidade de soldagem na tenacidade da solda HF-ERW

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Desenvolvimento de tubo ARBL contendo 1Cr 0,2Mo fabricado pelo processo ERW/HF destinado à indústria de petróleo e gás

Pós-graduação em Engenharia Mecânica - FEG

Europium doped zinc sulfide: a correlation between experimental and theoretical calculations

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Investigação experimental da tenacidade em tubos de aço API 5L X70 soldados pelo processo HF/ERW

Studies about structural integrity are very important when it desires to prevent disasters associated with flaws inherent in materials used in structural components. The welded joints in steel pipes used to conduction and distribution of oil and gas correspond to the regions most susceptible to flaw. Aiming to contribute to this research line, the present study was designed to assess experimentally the structural integrity of welded joints in steel pipes API 5L X70 used in pipeline systems. This assessment is given from tests of CTOD, whose aim is simulate in laboratory the real behaviour of crack from of his propagation on the welded joint obtained by high frequency electric resistance welding. In this case, the analyses are performed from specimens SE(B) obtained directly of steel pipe API 5L X70. The proposed methodology involves tests of CTOD at lower temperature, in order to assess the toughness of material in critical operation conditions. From performance of CTOD tests, was possible assess the toughness of welded joints in terms of quantity through CTOD parameter and in terms of quality from behaviour of curve load versus CMOD. In this study, also, sought to compare CTOD’s results obtained through rules ASTM E1820 (2008) and BS 7448 (1991). Although the two standards cited previously have adopted different parameters to calculated the value of CTOD, concluded that the values of CTOD tend to converge for a common value

Controle de dissociação caótica de moléculas diatômicas

In this work we investigate the dissociation of heteronuclear diatomic molecules subjected to laser pulses. This phenomenon can be modeled by the classical forced Morse oscillator. This system presents a chaotic dynamics associated with the anharmonicity of the internuclear potential and with the coupling of permanent dipole of molecule with the electric field of laser. We want to verify how the dissociation probability evolves while we change the intensity and frequency of laser. We study the phase space of molecules to have a better understanding of system dynamics. We make the calculations changing two parameters of laser (intensity and frequency) and checking how this parameters influences on molecule dissociation. We compare the results of HF molecule (Fluoride acid) and CO molecule (Carbon monoxide) to check how the dipole moment of each molecule can influence on laser interaction

Análise microestrutural de tubos API P110, para prospecção de petróleo e gás, soldados pelo processo HF/ERW

On the grounds of the great advances achieved over recent years, the process HF/ERW (High-Frequency/Electric Resistance Welding)welded pipe have played an active role in the oil and gas industry for deep water applications, at high and extremely low temperatures, under high pressure and in highly corrosive environments, gradually replacing manufactured pipes by other processes. However, studies have shown that defects in the welded joints are a the leading causes of pipelines failures, which has required the determination of toughness values in this region, in compliance with the strict recommendations of the codes and standards with manufacturers and construction companies, on the oil and gas sector. As part of the validation process required toughness values, this research project focuses on a microstructural analysis in HF / ERW tubes microalloyed, steel grade API 5CT P110, designed to explore oil and gas in deep waters, the subject of strategic relevance to the country because of the recent discoveries in the Santos mega fields: Tupi and Libra (pre-salt). In this scientific work will be presented and discussed the results of mechanical tensile and Charpy, a few CTOD tests curves (showing the trend of toughness values to be obtained), and the microstructures of the base material obtained by optical microscopy, with special emphasis on the formation of nonmetallic inclusions in the welded joint

Estudo em fadiga no aço API 5L X80 soldado pelo processo HF/ERW

The technological advancement in order to improve the methods of obtaining energy sources such as oil and natural gas is mainly motivated by the recent discovery of oil reserves. So, increasingly , there is a need for a thorough knowledge of the materials used in the manufacture of pipelines for transportation and exploration of oil and natural gas. The steels which follow the API standard (American Petroleum Institute), also known as high strenght low alloy (hsla), are used in the manufacture of these pipes, as they have, with their welded joints, mechanical properties to withstand the working conditions to which these ducts will be submitted . The objective of this study is to evaluate the fatigue behavior in microalloyed steel grade API 5L X80 welded by process HF / ERW . For this, axial fatigue tests to obtain S-N curve (stress vs. number of cycles ) were conducted. To complement the study, it was performed metallographic , fractographic , Vickers hardness tests and tensile tests to characterize the mechanical properties of the steel and check whether the values satisfy the specifications of the API 5L standard . From the fatigue tests , it was concluded that the surface finish influences directly on the fatigue life of the material