Nitrogen diffusion in the Nb-1.0wt%Zr measured by mechanical spectroscopy

The scientific and technological development in the area of new materials contributed to several applications of niobium and its alloys in nuclear power plants as well as in aerospace, aeronautics, automobile and naval industries. This paper presents the interstitial diffusion coefficients of nitrogen in solid solution in the Nb-1.0wt%Zr alloy using internal friction measurements obtained by mechanical spectroscopy, which uses a torsion pendulum operating at an oscillation frequency between 1.0 Hz and 10.0 Hz. The temperature range varies from 300K to 700K, at a heating rate of 1 K/min and vacuum better than 2 x 10(-6) Torr. The results showed an increase of the interstitial diffusion coefficient of nitrogen that was correlated with configurational considerations for the octahedral interstitials.

Diffusion of Interstitial Solutes in Nb-46wt% Ti Alloys Measured by Mechanical Spectroscopy

The mechanical properties of metals with a body-centered cubic (bcc) structure, such as Nb, Ta, V, and their alloys, are modified with the introduction of interstitial impurities, such as O, N, C, or H. These metals can dissolve great amounts of O and N, for example, to form solid solutions. The interstitial solute atoms (ISA) in metals with a bcc structure occupy octahedral sites and cause local distortion with tetragonal symmetry. So ISA in these metals forms an elastic dipole that can align along one of the three cubic axis of the crystal. In the present paper, the torsion pendulum technique was employed for the investigation of various interactions among the metallic matrix and different interstitial solutes in the Nb-46wt%Ti alloy. From the relaxation spectra, we obtained the diffusion coefficients, pre-exponential factors, and activation energies for nitrogen in the Nb-46wt%Ti alloy.

Oxygen diffusion in Ti-10Mo alloys measured by mechanical spectroscopy

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

Oxygen Diffusion in an Nb-Ta Alloy Measured by Mechanical Spectroscopy

When metals that present bcc crystalline structure receive the addition of interstitial atoms as oxygen, nitrogen, hydrogen and carbon, they undergo significant changes in their physical properties because they are able to dissolve great amounts of those interstitial elements, and thus form solid solutions. Niobium and most of its alloys possess a bcc crystalline structure and, because Brazil is the largest world exporter of this metal, it is fundamental to understand the interaction mechanisms between interstitial elements and niobium or its alloys. In this study, mechanical spectroscopy (internal friction) measurements were performed on Nb-8.9wt%Ta alloys containing oxygen in solid solution. The experimental results presented complex internal friction spectra. With the addition of substitutional solute, interactions between the two types of solutes (substitutional and interstitial) were observed, considering that the random distribution of the interstitial atoms was affected by the presence of substitutional atoms. Interstitial diffusion coefficients, pre-exponential factors and activation energies were calculated for oxygen in this alloy.

Oxygen Diffusion in Ti-20Mo Alloys, used as Biomaterial, Measured by Mechanical Spectroscopy

Titanium alloys are favorable implant materials for orthopedic applications, due to their desirable properties such as good corrosion resistance, low elasticity modulus, and excellent biocornpatibility. The research on titanium alloys is concentrated in the beta type, as the Ti-20Mo alloys and the addition of interstitial elements in these metals cause changes in their mechanical properties. The mechanical spectroscopy measurements have been frequently used in order to verify the behavior of these interstitials atoms in metallic alloys. This paper presents the study of oxygen diffusion in Ti-20Mo alloys using mechanical spectroscopy measurements. A thermally activated relaxation structure was observed in the sample after oxygen doping. It was associated with the interstitial diffusion of oxygen atoms in a solid solution in the alloy. The diffusion coefficient for the oxygen diffusion in the alloy was obtained by the frequency dependence of the peak temperature and by using a simple mathematical treatment of the relaxation structure and the Arrhenius law.

Diffusion of Oxygen and Nitrogen in the Ti-15Mo Alloy used for Biomedical Applications

The Ti-15Mo alloy is a promising material for use as a biomaterial because of its excellent corrosion resistance and its good combination of mechanical properties, such as fatigue, hardness, and wears resistance. This alloy has a body-centered predominantly cubic crystalline structure and the addition of interstitial atoms, such as oxygen and nitrogen, strongly alters its mechanical properties. Mechanical spectroscopy is a powerful tool to study the interaction of interstitial elements with the matrix metal or substitutional solutes, providing information such as the distribution and the concentration of interstitial elements. The objective of this paper is to study of the effects of heavy interstitial elements, such as oxygen and nitrogen, on the anelastic properties of the Ti-15Mo alloy by using mechanical spectroscopy measurements. In this study, the diffusion coefficients, pre-exponential factors, and activation energies were calculated for the oxygen in the Ti-15Mo alloy.

Nitrogen diffusion in the Nb-2.0wt%Ti measured by mechanical spectroscopy

Metals that present bcc crystalline structure, when receiving addition of interstitial atoms as oxygen, nitrogen, hydrogen and carbon, undergo significant changes in their physical properties, being able to dissolve great amounts of those interstitial elements, thus forming solid solutions. Niobium and most of its alloys possess bcc crystalline structure and, as Brazil is the largest world exporter of this metal, it is fundamental to understand the interaction mechanisms between interstitial elements and niobium or its alloys. In this paper, mechanical spectroscopy (internal friction) measurements were performed in Nb-2.0wt%Ti alloys containing nitrogen in solid solution. The experimental results presented complex internal friction spectra and with the addition of substitutional solute, it was observed interactions between the two types of solutes (substitutional and interstitial), considering that the random distribution of the interstitial atoms was affected by the presence of substitutional atoms. Interstitial diffusion coefficients, pre-exponential factors and activation energies were calculated for nitrogen in the Nb-2.0wt%Ti alloys.

Static simulation of bulk and selected surfaces of anatase TiO2

A theoretical investigation has been carried out to characterize bulk and selected surfaces of anatase TiO2. The calculations are performed using a B3LYP hybrid functional and 6-31G basis set within the periodic density functional approximation. Optimization procedures have been employed to determine the equilibrium geometry of the crystal and slab surface models. The compressibility, band structure, and the bulk and surface charge distributions are reported. The surface relative energies are identified to follow the sequence: (001) < (101) < (100) much less than (110) < < < (111), from the most stable surface to the least stable one. Relaxation of (001) and (101) surfaces are moderate, with no displacements exceeding; approximate to0.19 Angstrom. The theoretical results are compared with previous theoretical studies and available experimental data. (C) 2001 Elsevier B.V. B.V. All rights reserved.

Periodic study on the structural and electronic properties of bulk, oxidized and reduced SnO2(110) surfaces and the interaction with O-2

The structural and electronic properties of bulk and both oxidized and reduced SnO2(110) surfaces as well as the adsorption process of O-2 on the reduced surface have been investigated by periodic DFT calculations at B3LYP level. The lattice parameters, charge distribution, density of states and band structure are reported for the bulk and surfaces. Surface relaxation effects have been explicitly taken into account by optimizing slab models of nine and seven atomic layers representing the oxidized and reduced surfaces, respectively. The conductivity behavior of the reduced SnO2(110) surface is explained by a distribution of the electrons in the electronic states in the band gap induced by oxygen vacancies. Three types of adsorption approaches of O-2 on the four-fold tin at the reduced SuO(2)(110) surface have been considered. The most exothermic channel corresponds to the adsorption of O-2 parallel to the surface and to the four-fold tin row, and it is believed to be associated with the formation of a peroxo O-2(2-) species. The chemisorption of O-2 on reduced SnO2(110) surface causes a significant depopulation of states along the band gap and it is shown to trap the electrons in the chemisorbed complex producing an electron-depleted space-charge layer in the inner surface region of the material in agreement with some experimental evidences. (C) 2002 Elsevier B.V. B.V. All rights reserved.

Assessment of a high-order finite difference upwind scheme for the simulation of convection-diffusion problems

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

On anomalous diffusion and the fractional generalized Langevin equation for a harmonic oscillator

The fractional generalized Langevin equation (FGLE) is proposed to discuss the anomalous diffusive behavior of a harmonic oscillator driven by a two-parameter Mittag-Leffler noise. The solution of this FGLE is discussed by means of the Laplace transform methodology and the kernels are presented in terms of the three-parameter Mittag-Leffler functions. Recent results associated with a generalized Langevin equation are recovered.

An investigation on parallel, divergent and convergent acetylene dual jet diffusion flames

Results are presented and discussed of an experimental investigation on acetylene turbulent dual jet diffusion flames. The study includes parameters of flames in parallel, divergent and convergent configurations. Tests with two parallel jets with addition of helium in the fuel stream were also performed and analysed. The variation of overall flame length and of other name physical characteristics, such as width, volume and conditions for lifting, are presented as functions of burner tip Reynolds number, jet distance from each other and inclination angle. The effects of diluent concentration in the fuel gas stream are presented for single and two parallel jets. (C) 1999 Elsevier B.V. Ltd.

Gravitational constraints of dS branes in an AdS Einstein-Brans-Dicke bulk

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Chaotic diffusion caused by close encounters with several massive asteroids The (4) Vesta case

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Heat transfer in laminar flow of non-Newtonian fluids in ducts of elliptical section

Laminar forced convection inside tubes of various cross-section shapes is of interest in the design of a low Reynolds number heat exchanger apparatus. Heat transfer to thermally developing, hydrodynamically developed forced convection inside tubes of simple geometries such as a circular tube, parallel plate, or annular duct has been well studied in the literature and documented in various books, but for elliptical duct there are not much work done. The main assumption used in this work is a laminar flow of a power flow inside elliptical tube, under a boundary condition of first kind with constant physical properties and negligible axial heat diffusion (high Peclet number). To solve the thermally developing problem, we use the generalized integral transform technique (GITT), also known as Sturm-Liouville transform. Actually, such an integral transform is a generalization of the finite Fourier transform where the sine and cosine functions are replaced by more general sets of orthogonal functions. The axes are algebraically transformed from the Cartesian coordinate system to the elliptical coordinate system in order to avoid the irregular shape of the elliptical duct wall. The GITT is then applied to transform and solve the problem and to obtain the once unknown temperature field. Afterward, it is possible to compute and present the quantities of practical interest, such as the bulk fluid temperature, the local Nusselt number and the average Nusselt number for various cross-section aspect ratios. (C) 2006 Elsevier. SAS. All rights reserved.