Elasticity, stability, and ideal strength of beta-SiC in plane-wave-based ab initio calculations

On the basis of the pseudopotential plane-wave method and the local-density-functional theory, this paper studies energetics, stress-strain relation, stability, and ideal strength of beta-SiC under various loading modes, where uniform uniaxial extension and tension and biaxial proportional extension are considered along directions [001] and [111]. The lattice constant, elastic constants, and moduli of equilibrium state are calculated and the results agree well with the experimental data. As the four SI-C bonds along directions [111], [(1) over bar 11], [11(1) over bar] and [111] are not the same under the loading along [111], internal relaxation and the corresponding internal displacements must be considered. We find that, at the beginning of loading, the effect of internal displacement through the shuffle and glide plane diminishes the difference among the four Si-C bonds lengths, but will increase the difference at the subsequent loading, which will result in a crack nucleated on the {111} shuffle plane and a subsequently cleavage fracture. Thus the corresponding theoretical strength is 50.8 GPa, which agrees well with the recent experiment value, 53.4 GPa. However, with the loading along [001], internal relaxation is not important for tetragonal symmetry. Elastic constants during the uniaxial tension along [001] are calculated. Based on the stability analysis with stiffness coefficients, we find that the spinodal and Born instabilities are triggered almost at the same strain, which agrees with the previous molecular-dynamics simulation. During biaxial proportional extension, stress and strength vary proportionally with the biaxial loading ratio at the same longitudinal strain.

Parameters determining crystallinity in beta-SiC thin films prepared by catalytic chemical vapor deposition

The effects of deposition gas pressure and H-2 dilution ratio (H-2/SiH4+CH4+H-2), generally considered two of dominant parameters determining crystallinity in beta-SiC thin films prepared by catalytic chemical vapor deposition (Cat-CVD), often called hot-wire CVD method, on the films properties have been systematically studied. As deposition gas pressure increase from 40 to 1000 Pa, the crystallinity of the films is improved. From the study of H-2 dilution ratio, it is considered that H-2 plays a role as etching gas and modulating the phases in beta-SiC thin films. On the basis of the study on the parameters, nanocrystalline beta-SiC films were successfully synthesized on Si substrate at a low temperature of 300degreesC. The Fourier Transform Infrared Spectroscopy (FTIR) and X-ray diffraction (XRD) spectra show formation of beta-SiC. Moreover, according to Sherrer equation, the average grain size of the films estimated is in nanometer-size. (C) 2003 Elsevier B.V. All rights reserved.

Plasma-assisted self-catalytic vapour-liquid-solid growth of β-SiC nanowires

Long and straight β-SiC nanowires are synthesized via the direct current arc discharge method with a mixture of silicon, graphite and silicon dioxide as the precursor. Detailed investigations with x-ray diffraction, scanning electron microscopy, energy dispersive x-ray spectroscopy, Raman scattering spectroscopy, transmission electron microscopy and selected area electron diffraction confirm that the β-SiC nanowires, which are about 100–200 nm in stem diameter and 10–20 µm in length, consist of a solid single-crystalline core along the (1 1 1) direction wrapped with an amorphous SiO_x layer. A broad photoluminescence emission peak with a maximum at about 336 nm is observed at room temperature. A direct current arc plasma-assisted self-catalytic vapour–liquid–solid process is proposed as the growth mechanism of the β-SiC nanowires. This synthesis technique is capable of producing SiC nanowires free of metal contamination with a preferential growth direction and a high aspect ratio, without the designed addition of transition metals as catalysts.

Obtenção in situ do compósito alfa-SiAlON-SiC

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

Development of alpha-SiAlON-SiC ceramic composites by liquid phase sintering

In this work, in situ alpha-SiAlON-SiC ceramic composites were obtained,by, liquid phase sintering, using SiC as reinforcement. Different beta-SiC powder contents (0-20 wt.%), were added to Si3N4-AlN-RE2O3. powder mixtures, and compacted by cold isostatic pressing. The samples were sintered at 1950 degrees C for 1 h, in N-2 atmosphere. Sintered: samples were characterized by relative density, weight loss, X-ray diffraction and scanning electron microscopy. Furthermore, mechanical properties such as hardness and fracture toughness were determined by Vickers indentation method. Lattice parameters of the alpha' phase did not considerably change with increase of SiC content. However, morphology, average grain size and aspect ratio of the alpha' phase were considerably changed with increase of the SiC content. These behavior influences significantly the mechanical properties of this hard ceramic composite. (C) 2006 Elsevier Ltd. All rights reserved.

alpha-SiAlON-SiC composites obtained by gas-pressure sintering and hot-pressing

The objective of this work was the obtaining in situ of alpha-SiAlON-SiC composite, using an alternative rare-earth oxide mixture, RE2O3, as sintering additive, by two different sintering processes. As sintering additive, 20 vol.% of AlN-RE2O3 in a molar ratio of 90: 10 was mixed to the alpha-Si3N4 powder. In the Si3N4-AlN-RE2O3 powder mixture, 0, 10, 15 and 20wt.% of SiC were added. The powder batches were milled, dried and compacted by cold isostatic pressing. Two different sintering processes were used: gas-pressure sintering at 1950 degrees C for 1 h under 1.5 MPa of N-2 atmosphere, or uniaxial hot-pressing at 1750 degrees C, for 30 min under pressure of 20 MPa. The sintered samples were characterized by X-ray diffraction, scanning electron microscopy and mechanical properties. XRD patterns indicate only alpha-SiAlON (alpha') and beta-SiC as crystalline phases. It was observed that the SiC addition did not influence the alpha-SiAlON formation, although the growth of elongated alpha'-grains is substantially decreased. The hot-pressed composites presented better mechanical properties, exhibiting fracture toughness of 5 MPa m(1/2) and hardness around 21.5 GPa. (c) 2007 Elsevier B.V. All rights reserved.

Microwave assisted preparation and sintering of Al2O3, ZrO2 and their composites from metalorganics

Controlled pyrolysis of Al(OBus)(3), Zr(OPrn)(4) and their mixtures in ethyl acetate induced using microwaves of 2.45 GHz frequency has been carried out. Microwave irradiation yields second-stage precursors for the preparation of respective oxides and their composites. It is observed that the microwave irradiation has a directive influence on the morphology of the ultimate oxide products. Al2O3, ZrO2 and the two composites 90% Al2O3-10% ZrO2 and 90% ZrO2-10% Al2O3 are also found to be sintered to very high densities within 35 min of microwave irradiation by the use of beta-SiC as a secondary susceptor.

Tensile and compressive mechanical behavior of twinned silicon carbide nanowires

Molecular dynamics simulations with the Tersoff potential were used to study the response of twinned SiC nanowires under tensile and compressive strain. The critical strain of the twinned nanowires can be enhanced by twin stacking faults, and their critical strains are larger than those of perfect nanowires with the same diameters. Under axial tensile strain, the bonds of the nanowires are stretched just before failure. The failure behavior is found to depend on the twin segment thickness and the diameter of the nanowires. An atomic chain is observed for thin nanowires with small twin segment thickness under tension strain. Under axial compressive strain, the collapse of twinned SiC nanowires exhibits two different failure modes, depending on the length and diameter of the nanowires, i.e., shell buckling for short nanowires and columnar buckling for longer nanowires.

Stone-Wales defects created by low energy recoils in single-walled silicon carbide nanotubes

The defect creation at low energy events was studied using density functional theory molecular dynamics simulations in silicon carbide nanotubes, and the displacement threshold energies determined exhibit a dependence on sizes, which decrease with decreasing diameter of the nanotubes. The Stone-Wales (SW) defect, which is a common defect configurations induced through irradiation in nanotubes, has also been investigated, and the formation energies of the SW defects increase with increasing diameter of the nanotubes. The mean threshold energies were found to be 23 and 18 eV for Si and C in armchair (5,5) nanotubes. (C) 2009 American Institute of Physics. [doi: 10.1063/1.3238307]

The SPER and characteristics of Si1-yCy alloys

\Si1-yCy alloys with carbon composition of 0.5 at.% were successfully grown on n-Si(100) substrate by solid phase epitaxy recraystallization. The result was presented in this paper. With the help of the SiO2 capping layer, rather uniform carbon profile in amorphous Si layer was obtained by dual-energy implantation. Since ion-flow was small and implantation time was long enough, the emergency of beta-SiC was avoided and the dynamic annealing effect was depressed. The pre-amorphization of the Si substrate increased the fraction of the substitutions carbon and the two-step annealing reduced point defects. As a result, Si1-yCy alloys with high quality was recrystallized on Si substrate.

Silicon carbide surface modification by nitrogen plasma expander

Silicon carbide (SiC) has been employed in many different fields such as ballistic armor, thermal coating, high performance mirror substrate, semiconductors devices, among other things. Plasma application over the silicon carbide ceramics is relatively recent and it is able to promote relevant superficial modifications. Plasma expander was used in this work which was supplied by nitrogen and switched by a capacitor bank. Nitrogen plasma was applied over ceramic samples for 20 minutes, in a total medium of 1440 plasma pulses. SiC ceramics were produced by uniaxial pressing method (40 MPa) associated to isostatic pressing (300 MPa) and sintered at 1950 degrees C under argon gas atmosphere. Silicon carbide (beta-sic - BF-12) supplied by HC-Starck and sintering additive (7.6% YAG - Yttrium Aluminum Garnet) were used in order to obtain the ceramics. Before and after the plasma application, the samples were characterized by SEM, AFM, contact angle and surface energy measurement.

The studies on micro-structural defects in deformed composite matrix of Al-Si-Mg and SiC

Detailed Fourier line shape analysis has been performed on three different compositions of the composite matrix of Al-Si-Mg and SiC. The alloy composition in wt% is Al-7%Si, 0.35%Mg, 0.14%Fe and traces of copper and titanium (similar to 0.01%) with SiC varying from 0 to 30wt% in three steps i.e., 0, 10 and 30wt%. The line shift analysis has been performed by considering 111, 200, 220, 311 and 222 reflections after estimating their relative shift. Peak asymmetry analysis has been performed considering neighbouring 111 and 200 reflections and Fourier line shape analysis has been performed after considering the multiple orders 111 and 222, 200 and 400 reflections. Combining all these three analyses it has been found that the deformation stacking faults both intrinsic alpha' and extrinsic alpha " are absent in this alloy system whereas the deformation twin beta has been found to be positive and increases with the increase of SiC concentration. So, like other Al-base alloys this ternary alloy also shows high stacking fault energy, and the addition of SiC introduces deformation twin which increases with its concentration in the deformed lattices.

Non-existence of tight neighborly triangulated manifolds with beta(1)=2

All triangulated d-manifolds satisfy the inequality ((f0-d-1)(2)) >= ((d+2)(2))beta(1) for d >= 3. A triangulated d-manifold is called tight neighborly if it attains equality in this bound. For each d >= 3, a (2d + 3)-vertex tight neighborly triangulation of the Sd-1-bundle over S-1 with beta(1) = 1 was constructed by Kuhnel in 1986. In this paper, it is shown that there does not exist a tight neighborly triangulated manifold with beta(1) = 2. In other words, there is no tight neighborly triangulation of (Sd-1 x S-1)(#2) or (Sd-1 (sic) S-1)(#2) for d >= 3. A short proof of the uniqueness of K hnel's complexes for d >= 4 under the assumption beta(1) not equal 0 is also presented.

Sítio de Importância Comunitária Sicó-Alvaiázere e o ecoturismo: desafios e oportunidades de gestão para a conservação da biodiversidade

A gestão da áreas classificadas é cada vez mais um factor de desenvolvimento e de sucesso para alcançar os objectivos de conservação da biodiversidade tal como é defendido por diversas convenções e tratados internacionais. As metodologias de gestão têm evoluído continuamente nas últimas décadas mas no essencial observam, de acordo com as recomendações das referidas convenções, a elaboração de inventários e do planos de gestão integrados e participados que promovam e contribuam para a utilização sustentável desses mesmo sistemas. O ecoturismo pode contribuir para a gestão e conservação destes espaços ricos em biodiversidade promovendo o conhecimento destes recursos e uma mudança de atitude dos visitantes incrementando a sua consciencialização sobre a importância dos valores naturais através da oferta de serviços e produtos sustentáveis. É imprescindível disponibilizar aos técnicos do sector, que trabalham nos territórios, dados sobre a riqueza em biodiversidade existente e simultaneamente indicar a magnitude das ameaças que sobre elas recaem para que seja feito um correto planeamento das actividades de lazer. Para a flora e fauna já existem livros vermelhos com estatutos de conservação e conceitos operacionais como RELAPE mas no que se refere à biodiversidade beta e gama a região Calcária do Centro Oeste de Portugal, em que serão indicadas as séries de vegetação e os habitats que pela sua originalidade biogeográfica e grau de ameaça deveriam ter um estatuto de conservação. Faremos referência aos desafios e oportunidades do ecoturismo na gestão e conservação da biodiversidade e daremos exemplos práticos de actividades de animação turística desenvolvidas no território.