Numerical simulation of solidification of liquid aluminum alloy flowing on cooling slope

Preparation of semisolid slurry using a cooling slope is increasingly becoming popular, primarily because of the simplicity in design and ease control of the process. In this process, liquid alloy is poured down an inclined surface which is cooled from underneath. The cooling enables partial solidification and the incline provides the necessary shear for producing semisolid slurry. However, the final microstructure of the ingot depends on several process parameters such as cooling rate, incline angle of the cooling slope, length of the slope and initial melt superheat. In this work, a CFD model using volume of fluid (VOF) method for simulating flow along the cooling slope was presented. Equations for conservation of mass, momentum, energy and species were solved to predict hydrodynamic and thermal behavior, in addition to predicting solid fraction distribution and macrosegregation. Solidification was modeled using an enthalpy approach and a volume averaged technique for the different phases. The mushy region was modeled as a multi-layered porous medium consisting of fixed columnar dendrites and mobile equiaxed/fragmented grains. The alloy chosen for the study was aluminum alloy A356, for which adequate experimental data were available in the literature. The effects of two key process parameters, namely the slope angle and the pouring temperature, on temperature distribution, velocity distribution and macrosegregation were also studied.

Doping Transition Metal (Mn or Cu) Ions in Semiconductor Nanocrystals

Following growth doping strategy and using dopant oxides nanocrystals as dopant sources, we report here two different transition-metal ions doped in a variety of group II-VI semiconductor nanocrystals. Using manganese oxide and copper oxide nanocrystals as corresponding dopant sources, intense photoluminescence emission over a wide range of wavelength has been observed for different host nanocrystals. Interestingly, this single doping strategy is successful in providing such highly emissive nanocrystals considered here, in contrast with the literature reports that would suggest synthesis strategies to be highly specific to the particular dopant, host, or both. We investigate and discuss the possible mechanism of the doping process, supporting the migration of dopant ions from dopant oxide nanocrystals to host nanocrystals as the most likely scenario.

Liquid-crystal display as a spectral selector for visible spectrometers

The polarization properties of a twisted nematic liquid crystal display (TNLCD) are studied experimentally with the aim of using it as a wavelength selector. The output of a white LED is split into its constituent wavelengths with a resolution of 2-5 nm in proportion to a voltage applied to the TNLCD. The feasibility of employing the display as a wavelength selector in visible spectrometers is demonstrated. A simple inexpensive design of a spectrometer built around an LED and a TNLCD is suggested.

Metallacarboranes: Toward Promising Hydrogen Storage Metal Organic Frameworks

Using first principles calculations, we show the high hydrogen storage capacity of metallacarboranes, where the transition metal (TM) atoms can bind up to 5 H-2-molecules. The average binding energy of similar to 0.3 eV/H favorably lies within the reversible adsorption range. Among the first row TM atoms, Sc and Ti are found to be the optimum in maximizing the H-2 storage (similar to 8 wt %) on the metallacarborane cluster. Being an integral part of the cage, TMs do not suffer from the aggregation problem, which has been the biggest hurdle for the success of TM-decorated graphitic materials for hydrogen storage. Furthermore, the presence of carbon atom in the cages permits linking the metallacarboranes to form metal organic frameworks, which are thus able to adsorb hydrogen via Kubas interaction, in addition to van der Waals physisorption.

Impact of energy quantisation in single electron transistor island on hybrid complementary metal oxide semiconductor-single electron transistor integrated circuits

For the first time, the impact of energy quantisation in single electron transistor (SET) island on the performance of hybrid complementary metal oxide semiconductor (CMOS)-SET transistor circuits has been studied. It has been shown through simple analytical models that energy quantisation primarily increases the Coulomb Blockade area and Coulomb Blockade oscillation periodicity of the SET device and thus influences the performance of hybrid CMOS-SET circuits. A novel computer aided design (CAD) framework has been developed for hybrid CMOS-SET co-simulation, which uses Monte Carlo (MC) simulator for SET devices along with conventional SPICE for metal oxide semiconductor devices. Using this co-simulation framework, the effects of energy quantisation have been studied for some hybrid circuits, namely, SETMOS, multiband voltage filter and multiple valued logic circuits. Although energy quantisation immensely deteriorates the performance of the hybrid circuits, it has been shown that the performance degradation because of energy quantisation can be compensated by properly tuning the bias current of the current-biased SET devices within the hybrid CMOS-SET circuits. Although this study is primarily done by exhaustive MC simulation, effort has also been put to develop first-order compact model for SET that includes energy quantisation effects. Finally, it has been demonstrated that one can predict the SET behaviour under energy quantisation with reasonable accuracy by slightly modifying the existing SET compact models that are valid for metallic devices having continuous energy states.

A convenient and high-yield synthesis for pyridinium and metal hexafluorocomplexes of vanadium, chromium, iron and cobalt

Pyridinium poly(hydrogen fluoride) reacts with the oxide of vanadium(V) and chlorides of chromium(III), iron (III) and Co(II) at room temperature forming the pyridinium salts of hexafluoro vanadate(V), hexafluorochromate(III), hexafluoroferrate(III) and hexafluorocobaltate(II) in near quantitative yields (80%). These pyridinium salts are the precursors for the preparation of the alkali metal hexafluorometallates by metathetic reactions in acetonitrile medium with the corresponding metal chlorides. The prepared salts have been identified by their infrared spectral data and elemental analysis.

Anatase-rutile transformation in Fe/TiO2, Th/TiO2 and Cu/TiO2 catalysts and its possible role in metal-support interaction

Based on in-situ Mossbauer and X-ray diffraction studies, it is shown that in the Fe/TiO2 catalyst, the anatase-rutile transformation of the TiO2 support is facilitated by the Fe2+ ions formed during the reduction. The transformation occurs at lower temperatures in Th/TiO2 and Cu/TiO2 compared to pure TiO2. In general, the transformation of anatase to rutile seems to occur at or below the temperature (approximately 770 K) at which strong-metal-support-interaction manifests itself.

A thermogravimetric study of the oxidative growth of Al2O3/Al alloy composites

The oxidation of liquid Al–Mg–Si alloys at 900–1400 °C was studied by thermogravimetric analysis (TGA). The development of a semi-protective surface layer of MgO/MgAl2O4 allows the continuous formation of an Al2O3-matrix composite containing an interpenetrating network of metal microchannels at 1000–1350 °C. An initial incubation period precedes bulk oxidation, wherein Al2O3 grows from a near-surface alloy layer by reaction of oxygen supplied by the dissolution of the surface oxides and Al supplied from a bulk alloy reservoir through the microchannel network. The typical oxidation rate during bulk growth displays an initial acceleration followed by a parabolic deceleration in a regime apparently limited by Al transport to the near-surface layer. Both regimes may be influenced by the Si content in this layer, which rises due to preferential Al and Mg oxidation. The growth rates increase with temperature to a maximum at ~1300 °C, with a nominal activation energy of 270 kJ/mole for an Al-2.85 wt. % Mg-5.4 wt. % Si alloy in O2 at furnace temperatures of 1000–1300 °C. An oscillatory rate regime observed at 1000–1075 °C resulted in a banded structure of varying Al2O3-to-metal volume fraction.

Berry phenolics: isolation, analysis, identification, and antioxidant properties

The main objectives in this thesis were to isolate and identify the phenolic compounds in wild (Sorbus aucuparia) and cultivated rowanberries, European cranberries (Vaccinium microcarpon), lingonberries (Vaccinium vitis-idaea), and cloudberries (Rubus chamaemorus), as well as to investigate the antioxidant activity of phenolics occurring in berries in food oxidation models. In addition, the storage stability of cloudberry ellagitannin isolate was studied. In wild and cultivated rowanberries, the main phenolic compounds were chlorogenic acids and neochlorogenic acids with increasing anthocyanin content depending on the crossing partners. The proanthocyanidin contents of cranberries and lingonberries were investigated, revealing that the lingonberry contained more rare A-type dimers than the European cranberry. The liquid chromatography mass spectrometry (LC-MS) analysis of cloudberry ellagitannins showed that trimeric lambertianin C and sanguiin H-10 were the main ellagitannins. The berries, rich in different types of phenolic compounds including hydroxycinnamic acids, proanthocyanidins, and ellagitannins, showed antioxidant activity toward lipid oxidation in liposome and emulsion oxidation models. All the different rowanberry cultivars prevented lipid oxidation in the same way, in spite of the differences in their phenolic composition. In terms of liposomes, rowanberries were slightly more effective antioxidants than cranberry and lingonberry phenolics. Greater differences were found when comparing proanthocyanidin fractions. Proanthocyanidin dimers and trimers of both cranberries and lingonberries were most potent in inhibiting lipid oxidation. Antioxidant activities and antiradical capacities were also studied with hydroxycinnamic acid glycosides. The sinapic acid derivatives of the hydroxycinnamic acid glycosides were the most effective at preventing lipid oxidation in emulsions and liposomes and scavenging radicals in DPPH assay. In liposomes and emulsions, the formation of the secondary oxidation product, hexanal, was inhibited more than that of the primary oxidation product, conjugated diene hydroperoxides, by hydroxycinnamic acid derivatives. This indicates that they are principally chain-breaking antioxidants rather than metal chelators, although they possess chelating activity as well. The storage stability test of cloudberry ellagitannins was performed by storing ellagitannin isolate and ellagitannins encapsulated with maltodextrin at different relative vapor pressures. The storage stability was enhanced by the encapsulation when higher molecular weight maltodextrin was used. The best preservation was achieved when the capsules were stored at 0 or 33% relative vapor pressures. In addition, the antioxidant activities of encapsulated cloudberry extracts were followed during the storage period. Different storage conditions did not alter the antioxidant activity, even though changes in the ellagitannin contents were seen. The current results may be of use in improving the oxidative stability of food products by using berries as natural antioxidants.

Diffusion coefficients for selected binary liquid systems: cyclohexanes and n-alkyl alcohols

In the present work the integral diffusion coefficients are estimated by using the diaphragm cell technique. The diffusion coefficients are measured at various compositions for two sets binary systems: one of cyclohexane and n-paraffinic alcohols and the other of methylcyclohexane and n-paraffinic alcohols. The alcohols used are seven members of homologous series of n-paraffinic alcohols from ethanol to octanol. The maximum possible error in the experimental diffusion coefficient could be 8% for both the cyclohexane-n-alkyl alcohol system and methylcyclohexane-n-alkyl alcohol system. A correlation for each of the two sets of binary systems is given. The maximum deviation in the correlations was less than 6.5 and 3.5% for cyclohexane-n-alkyl alcohols and methylcyclohexane-n-alkyl alcohols, respectively.

Direct current electrical resistivity of zinc borate glasses containing transition metal oxides

The resistivities of zinc borate glasses containing Fe2O3, V2O5, and Fe2O3 + V2O5 have been measured as a function of composition and temperature. The values of resistivity and activation energy decrease as the transition metal oxide content is increased. The conductivities of the glasses containing Fe2O3 + V2O5 are more than the sum of those of the glasses containing only Fe2O3 or V2O5 (i.e. the activation energies are less than the sum of those in the glasses containing only Fe2O3 or V2O5). The results are discussed in terms of existing theories.

Transition metal oxide perovskites by photoelectron and x-ray absorption spectroscopy

X-ray and ultraviolet photoelectron spectroscopy as well as x-ray absorption spectroscopy have been employed to investigate transition metal oxide perovskites of the general formula ABOs (A=La or rare-earth ion, B=trivalent transition metalion). Systematics in the core levels and in the valence bands in the series of LaBOa compounds have been discussed. Lanthanum chemical shifts in the x-ray absorption spectra in this series show interesting trends. Photoelectron spectra of the solid solutions, LaNil_x Coxes, LaNix_x FexO8 and LaFel_x Coxes show that the rigid band model is applicable to these systems. It is shown that x-ray photoelectron spectroscopy can be employed to identify multiple oxidation states of transition metal ions in oxide perovskites.