Cu and Co exchanged ZSM-5 zeolites: activity towards no reduction and hydrocarbon oxidation

|Cu x|[Si yAl]-MFI and |Co x|[Si yAl]-MFI catalysts were prepared by ion exchange from |Na|[Si yAl]-MFI zeolites (y = 12, 25 and 45). The activity of the catalysts was evaluated in the reduction of NO to N2 in an oxidative atmosphere using propane or methane as reducing agents. The Cu catalysts were only active with propane and they presented higher activity than the Co-based catalysts, the latter being active with both hydrocarbons. H2-TPR and DRS-UV/Vis data allowed correlation between the activity towards NO reduction and the presence of cationic charge-compensating species in the zeolite. It was also verified that the hydrocarbons are preferentially oxidised by O2, a reaction that occurs simultaneously with their oxidation with NO.

Magnetic properties of Fe-Cu-Nb-Si-B nanocrystaliine magnetic alloys

Several ribbons of composition Fe73.5Cu1Nb 3Si16.5B6 and Fe73.5Cu1 Nb3Si13.5B9 were prepared by annealing the as-quenched samples between 525��C and 700��C; which induced nucleation of nanocrystallites of Fe bcc-type composition. Mean grain sizes were obtained from X-ray diffraction. Static magnetic properties were measured with both a Magnet Physik Hysteresis-Graph (up to 200 Oe) and a SHE SQUID magnetometer (up to 50 kOe). Soft magnetic parameters (coercive field and initial permeability) were very sensitive to grain size. The ZFC magnetization at low field showed a broad peak at a temperature TM, thus signalling a certain distribution of nanocrystalline sizes, and TM strongly decreased when the mean grain size decreased. Isothermal magnetization curves at low temperature showed the expected asymptotic behavior of a random magnet material at low and high fields.

Amorphous HfO(2) and Hf(1-x)Si(x)O via a melt-and-quench scheme using ab initio molecular dynamics

We have performed ab initio molecular dynamics simulations to generate an atomic structure model of amorphous hafnium oxide (a-HfO(2)) via a melt-and-quench scheme. This structure is analyzed via bond-angle and partial pair distribution functions. These results give a Hf-O average nearest-neighbor distance of 2.2 angstrom, which should be compared to the bulk value, which ranges from 1.96 to 2.54 angstrom. We have also investigated the neutral O vacancy and a substitutional Si impurity for various sites, as well as the amorphous phase of Hf(1-x)Si(x)O(2) for x=0.25, 0375, and 0.5.

Influence of the (111) twinning on the formation of diamond cubic/diamond hexagonal heterostructures in Cu-catalyzed Si nanowires

The occurrence of heterostructures of cubic silicon/hexagonal silicon as disks defined along the nanowire (111) growth direction is reviewed in detail for Si nanowires obtained using Cu as catalyst. Detailed measurements on the structural properties of both semiconductor phases and their interface are presented. We observe that during growth, lamellar twinning on the cubic phase along the (111) direction is generated. Consecutive presence of twins along the (111) growth direction was found to be correlated with the origin of the local formation of the hexagonal Si segments along the nanowires, which define quantum wells of hexagonal Si diamond. Finally, we evaluate and comment on the consequences of the twins and wurtzite in the final electronic properties of the wires with the help of the predicted energy band diagram.

Evidence for magnetic phase separation in La(0.86)Sr(0.14)Mn(1-x)Cu(x)O(3+delta) manganites from NMR and magnetic measurements

Polycrystalline La(0.86)Sr(0.14)Mn(1-x)Cu(x)O(3+delta) (x = 0, 0.05, 0.10, 0.15, 0.20) manganites were investigated by means of magnetic measurements and zero-field (139)La and (55)Mn nuclear magnetic resonance (NMR) spectroscopy. Magnetization versus temperature measurements revealed a paramagnetic to ferromagnetic transition in most samples, with lower Curie temperatures and broader transitions for samples with higher Cu contents. The details of the magnetization measurements suggested a phase-separated scenario, with ferromagnetic clusters embedded in an antiferromagnetic matrix, especially for the samples with large Cu contents (x = 0.15 and 0.20). Zero-field (139)La NMR measurements confirmed this finding, since the spectral features remained almost unchanged for all Cu-doped samples, whereas the bulk magnetization was drastically reduced with increasing Cu content. (55)Mn NMR spectra were again typical of ferromagnetic regions, with a broadening of the resonance line caused by the disorder introduced by the Cu doping. The results indicate a coexistence of different magnetic phases in the manganites studied, with the addition of Cu contributing to the weakening of the double-exchange interaction in most parts of the material.

C��lculos AB initio de propriedades estruturais, eletr��nicas e ��pticas de colmpostos CaXo3 (X=Si, Ge, Sn)

In this work we present a study of structural, electronic and optical properties, at ambient conditions, of CaSiO3, CaGeO3 and CaSnO3 crystals, all of them a member of Ca-perovskite class. To each one, we have performed density functional theory ab initio calculations within LDA and GGA approximations of the structural parameters, geometry optimization, unit cell volume, density, angles and interatomic length, band structure, carriers effective masses, total and partial density of states, dielectric function, refractive index, optical absorption, reflectivity, optical conductivity and loss function. A result comparative procedure was done between LDA and GGA calculations, a exception to CaSiO3 where only LDA calculation was performed, due high computational cost that its low symmetry crystalline structure imposed. The Ca-perovskite bibliography have shown the absence of electronic structure calculations about this materials, justifying the present work

An��lise da influ��ncia dos solutos Zr e Ti sobre as propriedades mec��nica, el��trica e de termorresist��ncia de uma liga Al-Cu-Fe-Si destinada a Tx e a Dx de energia el��trica

O contexto energ��tico mundial apresenta um aumento constante do consumo de energia el��trica no ��ltimo s��culo, desta forma exigindo a pesquisa de novos materiais para a aplica����o em cabos e fios condutores de eletricidade. A partir destas demandas por novos materiais, desenvolveu-se uma an��lise da influ��ncia dos solutos zirc��nio e tit��nio na modifica����o de caracter��sticas importantes de uma liga Al-Cu-Fe-Si, destinada a ser o meio condutor de energia el��trica, almejando obter propriedades termorresistentes. Para a realiza����o deste estudo, as ligas foram obtidas por fundi����o direta em lingoteira met��lica em formato ���U���, a partir do Al-EC, fixando-se na liga-base os teores de 0,05% Cu, [0,24 a 0,28]% Fe e 0,7% de Si, e em seguida, inserindo-se os teores de 0,26% Zr e 0,26% Ti. O experimento foi dividido em duas etapas, ETAPA A e ETAPA B, respectivamente, com o intuito de se avaliar as caracter��sticas mec��nicas, el��tricas e estruturais das ligas. Os corpos de prova ap��s lamina����o a frio (nos di��metros 2,7; 3,0; 3,8 e 4,0 mm) foram analisados sem tratamento t��rmico (STT) e com tratamento t��rmico (CTT): 230 ��C por uma hora, de acordo com o protocolo COPEL, 310 ��C e 390 ��C por uma hora, visando avaliar a ermorresist��ncia em temperaturas mais elevadas, a estabilidade t��rmica e analisar as microestruturas desenvolvidas em tais tratamentos t��rmicos (TT). Verificou-se que o Ti tem maior capacidade de refinar o gr��o em rela����o ao Zr, que apresenta gr��os menos refinados, por��m com melhores propriedades f��sicas e apresentando-se termorresistente.

Age hardening of a sintered Al-Cu-Mg-Si-(Sn) alloy

The age hardening response of a sintered Al-3.8 wt% Cu-1.0 wt% Mg-0.70 wt% Si alloy with and without 0.1 wt% Sn was investigated. The sequence of precipitation was characterised using transmission electron microscopy. The ageing response of the sintered Al-Cu-Mg-Si-(Sn) alloy is similar to that of cognate wrought 2xxx series alloys. Peak hardness was associated with a fine, uniform dispersion of lath shaped precipitates, believed to be either the betaor Q phase, oriented along < 010 >. directions and theta' plates lying on {001}(alpha). planes. Natural ageing also resulted in comparable behaviour to that observed in wrought alloys. Porosity in the powder metallurgy alloys did not significantly affect the kinetics of precipitation during artificial ageing. Trace levels of tin, used to aid sintering, slightly reduced the hardening response of the alloy. However, this was compensated for by significant improvements in density and hardness. (c) 2005 Elsevier B.V. All rights reserved.

Properties of rapidly solidified binary copper alloys

A number of binary Cu-X alloys (X = Fe, Cr, Si and Al) with alloying elements up to approximate to 12 at % for Fe and Cr, and = 20 at% for Al and Si were cast into thin ribbons (30-50 mu m thickness) by chill block melt spinning. The structural state of the as-cast ribbons was determined by X-ray diffraction (XRD) and microstructures of the quenched alloys were compared with the ingot equivalent, It was possible to achieve solid solution and fine dispersion of secondary phase beyond XRD detection up to approximate to 8 at% solute for Fe and Cr, which is beyond the expected concentration limits from equilibrium phase diagrams. The effects of alloying on resistivity and microhardness are also presented.

Chemisorption of group-III metals on the Si(111) and Ge(111) surfaces: An ab initio study

Chemisorption of group-III metal adatoms on Si(111) and Ge(111) has been studied through the ab initio Hartree-Fock method including nonempirical pseudopotentials and using cluster models to simulate the surface. Three different high-symmetry sites (atop, eclipsed, and open) have been considered by using X4H9, X4H7, and X6H9 (X=Si,Ge) cluster models. In a first step, ideal surface geometries have been used. Metal-induced reconstruction upon chemisorption has also been taken into account. Equilibrium distances, binding energies, and vibrational frequencies have been obtained and compared with available experimental data. From binding-energy considerations, the atop and eclipsed sites seem to be the most favorable ones and thus a coadsorption picture may be suggested. Group-III metals exhibit a similar behavior and the same is true for Si(111) and Ge(111) surfaces when chemisorption is considered.

Teores foliares de sil��cio, taninos e lignina, em Maytenus ilicifolia Martius ex Reiss. (espinheira-santa), em fun����o de vari��veis ambientais e gen��ticas

Coordena����o de Aperfei��oamento de Pessoal de N��vel Superior (CAPES)

Otimiza����o termodin��mica do sistema bin��rio Ti-Si.

A otimiza����o de sistemas do tipo Ti-Si-X requer que os sistemas bin��rios estejam constantemente atualizados. O sistema Ti-Si foi investigado experimentalmente desde a d��cada de 50 e poucos estudos usaram os dados experimentais para calcular o diagrama de fases Ti-Si usando modelamento termodin��mico. A otimiza����o mais recente do sistema Ti-Si foi realizada em 1998, descrevendo a fase Ti5Si3 como um intermet��lico n��o estequiom��trico contendo tr��s sub-redes e mostrando a presen��a da fase intermet��lica estequiom��trica Ti3Si. Dada a recente disputa sobre a cin��tica de precipita����o e a estabilidade das fases Ti3Si e Ti5Si3 nos sistemas Ti-Si e Ti-Si-X, o canto rico em tit��nio do sistema Ti-Si (est��vel e metaest��vel) foi otimizado no presente trabalho. Os limites de estabilidade de fases, os valores dos erros pelo m��todo dos m��nimos quadrados do procedimento de otimiza����o e os desvios padr��es relativos das vari��veis calculadas foram discutidos para inspirar a realiza����o de mais trabalhos experimentais para investigar as rea����es eutet��ides est��veis e/ou metaest��veis, ?->? + Ti3Si e ?->? + + Ti5Si3; e para melhorar cada vez mais as otimiza����es termodin��micas do diagrama de fases do sistema Ti-Si.

The effect of Cu addition and milling contaminations on the microstructure evolution of ball milled Al-Pb alloy during sintering

Al-10 wt.%Pb and Al-10 wt.%Pb-x wt.%Cu (x = 0-7.0) bulk alloys were prepared by sintering the mechanically alloyed powders at various temperatures. The microstructure changes of the as consolidated powders in the course of sintering were analyzed by differential scanning calorimetry, scanning electron microscopy, X-ray diffraction analysis and transmission electron microscopy. It has been found that, with respect to the Al-10 wt.%Pb-x wt.%Cu alloy, CuAl2 and Cu9Al4 phases formed in the milling process, and the amount of CuAl2 phase increased while the Cu9Al4 phase disappeared gradually in the sintering process. In both Al-10 wt.%Pb and Al-10 wt.%Pb-x wt.%Cu alloys, the sintering process results in the coarsening of Pb phase and the growth rate of Pb phase fulfills the Lifshitz-Slyozov-Wagner equation even though the size of the Pb phase was in nanometer range. The Pb particle exhibits cuboctahedral morphology and has a cubic to cubic orientation relationship with the Al matrix. The addition of Cu strongly depressed the growth rate of Pb. Contamination induced by milling has apparent influence on the microstructure of the sintered alloys. Al7Cu2Fe and aluminium oxide phases were identified in the sintered alloys. The cuboctahedral morphology of Pb particles was broken up by the presence of the oxide phase. (c) 2006 Elsevier B.V. All rights reserved.

Resistance of Santa Ines and crossbred ewes to naturally acquired gastrointestinal nematode infections

This trial was carried out in Piracicaba, Sao Paulo State. Brazil. to comparatively evaluate the degree of resistance to naturally acquired gastrointestinal nematode infections in sheep of the following genetic groups purebred Santa Ines (SI), SI crossbred with Dorper (DO x SI), lie de France (IF x SI), Suffolk (SU x SI), and Texel (TE < SI) Fifteen ewes from each group were raised indoors until 12 months of age. At this age, they were moved to pasture that was naturally contaminated by nematode infective larvae and were evaluated from December to May. 2007. Rainfall ranged from 267 mm in January to 37 mm in April Maximum and minimum mean temperatures ranged from 32 5 degrees C to 19 0 degrees C in March and from 25.9 degrees C to 12.8 degrees C in May. There was an increase in the mean number of eggs per gram of feces (EPG) after animals were placed on pasture with significant difference between the SI (80 EPG) and IF x SI (347 EPG) groups in January: and the DO x SI (386 EPG) and TE x SI (258 EPG) groups in May. The highest mean fecal egg count (FEC), 2073 EPG, was recorded for the TE x SI group in February. All groups showed a progressive reduction in body weight throughout the experiment of 12.0% (TE x SI) to 15.9% (SU x SI). In general. the animals with the highest FEC presented the lowest packed cell volumes (PCV): the highest correlation coefficient between FEC x PCV occurred in the SU x SI sheep in January (r = -0.70; P < 0.01). Similarly, there was an inverse relationship between FEC and blood eosinophil Values, with the highest correlation coefficient in the TE x SI sheep in February (r = -0.64; P < 0.05). Immunoglobulin G (IgG) levels against Haemonchus contortus antigens increased in all groups as a result of the exposure to parasites and remained relatively constant until the end of the study, with the exceptions of SU x SI and TE x SI, which showed a rise in IgG levels during the last sampling that coincided with a reduction in mean FEC. In conclusion. crossbreeding Santa Ines sheep with any of the breeds evaluated can result in a production increase and the maintenance of a satisfactory degree of infection resistance, especially against H. contortus and Trichostrongylus colubriformis. the major nematodes detected in this flock. (c) 2009 Elsevier B.V. All rights reserved.