CdSe/CdTe interface band gaps and band offsets calculated using spin–orbit and self-energy corrections

We performed ab initio calculations of the electronic structures of bulk CdSe and CdTe, and their interface band alignments on the CdSe in-plane lattice parameters. For this, we employed the LDA-1/2 self-energy correction scheme [L.G. Ferreira, M. Marques, L.K. Teles, Phys. Rev. B 78 (2008) 125116] to obtain corrected band gaps and band offsets. Our calculations include the spin–orbit effects for the bulk cases, which have shown to be of importance for the equilibrium systems and are possibly degraded in these strained semiconductors. Therefore, the SO showed reduced importance for the band alignment of this particular system. Moreover, the electronic structure calculated along the transition region across the CdSe/CdTe interface shows an interesting non-monotonic variation of the band gap in the range 0.8–1.8 eV, which may enhance the absorption of light for corresponding frequencies at the interface between these two materials in photovoltaic applications.     

Biomass briquetting and its perspectives in Brazil

A study of the status of biomass briquetting and its perspectives in Brazil was conducted including determination of the availability and characteristics of the agro-residues for briquetting. Wood residues, rice husk and coffee husk were characterized and identified as the more promising agro-residues for briquetting in the short-term in Brazil. A survey was carried out in order to determine the number of briquetting factories in Brazil, and also to determine: used briquetting technologies, briquettes production, briquettes sale prices, the status of biomass briquetting market and its future perspectives.     

Role of Crystallographic Textures on Failure Behavior in HSLA Grade-420 Steel During Cold Rolling

The microstructural and textural evolution was analyzed during rolling at room temperature to obtain detailed information about the failure behavior in HSLA grade-420 steel. Electron backscatter diffraction measurements were carried out in both non-cracked and cracked areas after cold rolling to find a correlation between microstructural parameters (i.e., grain orientation, grain boundary characteristics and Taylor factor) and crack propagation. The results showed that the crack tended to propagate along grains oriented with {001} planes parallel to the normal direction with high Taylor factor value. The special boundaries associated with the {111}, {110} and {221} planes were indicated as crack resistance, while ∑ 5, 13a and 17a, which related to the {001} planes, were crack-susceptible. Transgranular cracking was subjected within grains with high Taylor factor, while mismatch in Taylor factor between neighboring grains could provide an easy path for intergranular crack propagation.     

Modeling of a hydronic ceiling system and its environment as energetic auditing tool

As a part of a commissioning study, the chilled ceiling system of a large commercial building located in Belgium is evaluated. A representative office has been instrumented and data on the chilled ceiling system operating in real conditions have been collected. The simulation of the whole system is performed by means of a transient thermal model of the building and its HVAC system. The model considers the hydronic panels as a transient-state finned heat exchanger connected to a simplified lumped transient model of the building. The behavior of the hydronic ceiling system and the interactions with its environment (walls, ventilated facade, internal loads and ventilation system) has been experimentally and numerically evaluated. Commissioning test results show that the influence of surfaces temperatures inside the room, especially the facade, is considerable. Then, it is clear that the hydronic ceiling system must be evaluated together with its designed environment and not as a separate HVAC equipment.     

Physicochemical and sensory quality of several commercial Brazilian chocolate milk beverages

Five brands of Brazilian chocolate milk were subjected to physicochemical and acceptability analysis. The moisture content, fat content, pH and soluble solids content varied between 78.35 and 84.27 g/100 mL, 1.68 and 3.08 g/100 mL, 7.11 and 7.44, 14.0 and 19.0° Brix, respectively, while the ash contents and % lactic acid equivalents were similar. Four of the tested brands had acceptable scores in all attributes; however, one had lower acceptability scores and lower values for luminosity, chromaticity, b* and hue angle, which are potential indicators of the sensory quality. Strong chocolate aroma, strong chocolate flavour, strong brown colour, brightness and sandiness may be used as indicators of low acceptability for chocolate milk.     

Nanocomposites of poly(ε-caprolactone) doped with titanium species

Organic–inorganic hybrid nanocomposites were prepared via in situ sol–gel process. The organic phase is a biodegradable polymer, poly(ε-caprolactone) (PCL), while the tetrabutyl titanate (TBT, Ti(OBu)₄) was used as inorganic precursor. Synthesis parameters like acidity medium and precursor amount were investigated in order to assess their influence on hybrid properties. The obtained nanocomposites were characterised by thermal analysis, spectroscopic techniques, transmission electronic microscopy (TEM) and X-ray diffraction to gather information on the structure of the nanocomposites. Mechanical properties and biodegradability were also evaluated. A reaction mechanism based on Fourier transform infrared spectroscopy and NMR results was proposed using methyl acetate as model compound. TEM micrographs of the nanocomposites show a fine good nanoparticles dispersion. Acidic conditions and 10 wt% of precursor lead to a nanocomposite with higher mechanical properties and biodegradability than PCL.     

In situ study of granular micromechanics in semi-solid carbon steels

The granular micromechanics of semi-solid steel at ～80% solid are studied by synchrotron radiography. A particulate soil mechanics approach to image analysis shows that deformation occurs by the translation and rotation of quasi-rigid grains under the action of contact forces, and that the changes in directional fabric and grain–grain contacts occur by mechanisms similar to those of highly compacted soils including “locked sands”. Grain-scale phenomena are then linked to the macroscopic displacement and strain fields and it is shown that shear-induced dilation is a fundamental response at both the grain and macro scales. Based on this, recommendations are made on future rheology experiments.     

Biomass fly ash in concrete: SEM, EDX and ESEM analysis

This document summarizes microscopy study of concrete prepared from cement and fly ash (25% fly ash and 75% cement by weight), which covers coal fly ash and biomass fly ash. All the fly ash concrete has the statistical equal strength from one day to one year after mix. Scanning electron microscopy (SEM), Energy dispersive X-ray (EDX) and environmental scanning electron microscopy (ESEM) analysis show that both coal and biomass fly ash particles undergo significant changes of morphology and chemical compositions in concrete due to pozzolanic reaction, although biomass fly ash differs substantially from coal fly ash in its fuel resources.     

Association between dietary patterns and metabolic syndrome in a sample of portuguese adults

ABSTRACT: BACKGROUND: There is scarce evidence regarding the association between diet and metabolic syndrome (MetS) in Portuguese population. We aim to evaluate the association between a posteriori dietary patterns (DPs) and MetS and its features. METHODS: Using random digit dialing, a sample of 2167 adults was selected between 1999 and 2003, in Porto. During a face-to-face interview, a questionnaire was applied, anthropometric measures were taken, blood pressure measured and a fasting blood sample collected. Diet was assessed using a validated food frequency questionnaire, and four DPs were identified in each sex by multivariate finite mixture models. RESULTS: After adjustment for age and daily energy intake, comparing to the "healthy" DP, women with the "low fruit and vegetables" DP had a higher odds of high waist circumference (OR = 1.88 95% CI 1.17-3.01) and low HDL-cholesterol (OR = 1.78 95% IC 1.12-2.82) and women in the "red meat and alcohol" DP had higher odds of high waist circumference (OR = 1.45 95% CI 1.01-2.07) and of MetS (OR = 1.57 95% CI 1.07-2.29); men with the "fish" DP had a higher odds of high triglycerides (OR = 1.57 95% CI 1.05-2.35). After further adjustments (education, physical activity, smoking, alcohol drinking, BMI, and menopausal status) no significant associations remained. CONCLUSIONS: Four distinct DPs were identified in a community sample of Portuguese adults and there was no association with the prevalence of MetS.     

Characterization of Brazilian green propolis throughout the seasons by headspace GC/MS and ESI-MS

BACKGROUND: A screening of the chemical composition of eight commercial classes of raw Brazilian green propolis throughout the seasons was carried out. A multivariate exploratory analysis of chemical composition obtained by gas chromatography associated with mass spectrometry with headspace extraction (HS‐GC/MS), and by mass spectrometry with electrospray ionization (ESI‐MS) was carried out using principal component analysis (PCA). RESULTS: Differences in the volatile and polyphenolic profiles of propolis samples were verified during the seasons. Within each season, the high quality commercial classes of propolis presented similar characteristics, while the low quality classes presented distinct compositions. In spring and summer, propolis of the trimming class, commonly considered of low quality by beekeepers, presented a composition similar to the superior quality propolis. CONCLUSION: Seasonality influences the chemical composition of the commercial classes of raw Brazilian green propolis. Headspace‐GC/MS and ESI‐MS assisted by PCA are effective to characterize volatile and non‐volatile compounds of the propolis samples, and to correlate it to the seasons. Copyright © 2011 Society of Chemical Industry