A Molecular Dynamics Study of Atomic Correlations in Glassy BzS3t

Glassy B&, the parent compound of the superionic conductor LiI-Li&B& has been studied by the molecular dynamics technique using a new potential model. The results suggest that the glass is made up of local units of four-membered B2S2 rings bridged by sulfur atoms, leading to a chainlike structure. Various pair correlation functions have been analyzed, and the B2Sz rings have been found to be planar. The calculated neutron structure factor shows a peak at 1.4 A-' which has been attributed to B-B correlations at 5.6 A. The glass transition temperature of the simulated system has been calculated to be around 800 K.

Geographical Distribution Patterns of Amphibians in the Western Ghats, India

The Western Ghats of India are very rich in amphibian species with 117 species of frogs, toads and caecilians. Eighty-nine species are endemic to this biogeographical region. Analysis of ranges and patterns of geographical distribution of amphibians on the Western Ghats suggest that the southern half of the Western Ghats and the low-medium elevation hills are more diverse in species than the northern half and higher hills. This is attributed to the more widespread rainfall and the less variable climatic conditions in the south. About half the species are apparently localized. Of those species with wider ranges, a majority show patchy distribution. Species preferring the moist evergreen forests as habitats tend to have patchy distributions. This appears to be a result of habitat destruction and fragmentation. The overall patterns of species richness and local endemism are rather different from those of the angiosperms and birds. In birds and angiosperms, a significant proportion of endemics are found on the higher hills. On the contrary, endemic amphibian species are found in the lower altitudinal range of 0-1000 m, with a majority between 800 and 1000 m.

Global solutions describing the collapse of a spherical or cylindrical cavity

The collapse of a spherical (cylindrical) cavity in air is studied analytically. The global solution for the entire domain between the sound front, separating the undisturbed and the disturbed gas, and the vacuum front is constructed in the form of infinite series in time with coefficients depending on an ldquoappropriaterdquo similarity variable. At timet=0+, the exact planar solution for a uniformly moving cavity is assumed to hold. The global analytic solution of this initial boundary value problem is found until the collapse time (=(gamma–1)/2) for gamma le 1+(2/(1+v)), wherev=1 for cylindrical geometry, andv=2 for spherical geometry. For higher values of gamma, the solution series diverge at timet — 2(beta–1)/ (v(1+beta)+(1–beta)2) where beta=2/(gamma–1). A close agreement is found in the prediction of qualitative features of analytic solution and numerical results of Thomaset al. [1].

High-temperature reactions of alkali and plagioclase feldspars with alkali and alkaline-earth chlorides-formation of celsian

High-temperature reactions (Ca 900-degrees-C) involving albite, K-feldspar or plagioclase and K, Ba-or K, Sr chlorides were experimentally studied. These experiments reveal that the reaction between K-exchanged albite, potash feldspar, or plagioclase and Ba-chloride/Ba-K chloride results in the formation of celsian by the breakdown of the starting feldspar structure above 800-degrees-C. Sr-feldspar does not form under similar conditions. A size-effect of the large M-site cation appears to be responsible for the formation of celsian. The reaction between K-feldspar and barium chloride may be used as a method for synthesizing celsian.

Hot deformation characteristics of INCONEL alloy MA 754 and development of a processing map

The characteristics of hot deformation of INCONEL alloy MA 754 have been studied processing maps obtained on the basis of flow stress data generated in compression in the temperature range 700-degrees-C to 1150-degrees-C and strain rate range 0.001 to 100 s-1. The map exhibited three domains. (1) A domain of dynamic recovery occurs in the temperature range 800-degrees-C to 1075-degrees-C and strain rate range 0.02 to 2 s-1, with a peak efficiency of 18 pct occurring at 950-degrees-C and 0.1 s-1. Transmission electron microscope (TEM) micrographs revealed stable subgrain structure in this domain with the subgrain size increasing exponentially with an increase in temperature. (2) A domain exhibiting grain boundary cracking occurs at temperatures lower than 800-degrees-C and strain rates lower than 0.01 s-1. (3) A domain exhibiting intense grain boundary cavitation occurs at temperatures higher than 1075-degrees-C. The material did not exhibit a dynamic recrystallization (DRX) domain, unlike other superalloys. At strain rates higher than about 1 s-1, the material exhibits flow instabilities manifesting as kinking of the elongated grains and adiabatic shear bands. The material may be safely worked in the domain of dynamic recovery but can only be statically recrystallized.

Synthesis of Nano Structured Carbon Nitride by Pyrolysis Assisted Chemical Vapour Deposition

Nanostructured carbon nitride films were prepared by pyrolysis assisted chemical vapour deposition. A two zone furnace with a uniform temperature over a length of 20 cm in both the zones was built. The precursor Azabenzimidazole (C6H5N3) taken in a quartz tube was evaporated at zone A and pyrolysed at zone B at a temperature of 800 degrees C. The FTIR spectrum of the prepared sample shows peaks at 1272 cm(-1) and 1591 cm(-1) corresponding to C-N stretching and C=N respectively, which confirms the bonding of nitrogen with carbon. Raman D and G peaks are observed at 1357 cm(-1) and 1560 cm(-1) respectively. X-ray photoelectron spectroscopy (XPS) shows the formation of pi bonding between carbon and nitrogen atoms. These observations along with XRD analysis show the formation of crystallites of alpha-C3N4 and beta-C3N4 in the background of graphitic C3N4. The size of the nanocrystals estimated from the SEM images is similar to 100 nm.

Characterization of hot deformation behaviour of Zr---2.5Nb---0.5Cu using processing maps

The characteristics of hot deformation of beta-quenched Zr-2.5Nb-0.5Cu in the temperature range 650-1050 degrees C and in the strain rate range 0.001-100 s(-1) have been studied using hot compression testing. For this study, the approach of processing maps has been adopted and their interpretation done using the Dynamic Materials Model. The efficiency of power dissipation given by [2m/(m + 1)], where m is strain rate sensitivity, is plotted as a function of temperature and strain rate to obtain a processing map. The processing map for Zr-2.5Nb-0.5Cu within (alpha + beta) phase field showed a domain of dynamic recrystallization, occurring by shearing of alpha-platelets followed by spheroidization, with a peak efficiency of 48% at 750 degrees C and 0.001 s(-1). The stress-strain curves in this domain had features of continuous flow softening and all these are similar to that in Zr-2.5Nb alloy. In the beta-phase field, a second domain with a peak efficiency of 47% occurred at 1050 degrees C and 0.001 s(-1) and this domain is correlated with the superplasticity of beta-phase. The beta-deformation characteristics of this alloy are similar to that observed in pure beta-zirconium with large grain size. Analysis of flow instabilities using a continuum criterion revealed that the Zr-2.5Nb-0.5Cu exhibits flow localization at temperatures higher than 800 degrees C and strain rates higher than about 30 s(-1) and that the addition of copper to Zr-2.5Nb reduces its susceptibility to flow instability, particularly in the (alpha + beta) phase field.

Rapid thermal processed thin films of niobium pentoxide (Nb2 O5) deposited by reactive magnetron sputtering

Niobium pentoxide thin films have been deposited on silicon and platinum-coated silicon substrates by reactive magnetron sputtering. The as-deposited films were amorphous and showed good electrical properties in terms of a dielectric permittivity of about 30, and leakage current density of 10(-6) A cm(-2) al a field of 120 kV cm(-1). A rapid thermal annealing process at 800 degrees C further increased the dielectric constant to 90 and increased the leakage current density to 5 x 10(-6) A cm(-2). The current-voltage characteristics observed at low and high fields suggested a combination of phenomena at different regimes of applied electric field. The capacitance-voltage characteristics performed in the metal-insulator-semiconductor configuration indicated good electronic interfaces with a nominal trap density of 4.5 x 10(12) cm(-2) eV(-1), which is consistent with the behavior observed with conventional dielectrics such as SiO2 on silicon surfaces.

Liquid phase epitaxial growth of pure and doped GaSb layers: morphological evolution and native defects

Undoped and Te-doped gallium antimonide (GaSb) layers have been grown on GaSb bulk substrates by the liquid phase epitaxial technique from Ga-rich and Sb-rich melts. The nucleation morphology of the grown layers has been studied as a function of growth temperature and substrate orientation. MOS structures have been fabricated on the epilayers to evaluate the native defect content in the grown layers from the C-V characteristics. Layers grown from antimony rich melts always exhibit p-type conductivity. In contrast, a type conversion from p- to n- was observed in layers grown from gallium rich melts below 400 degrees C. The electron mobility of undoped n-type layers grown from Ga-rich melts and tellurium doped layers grown from Sb- and Ga-rich solutions has been evaluated.

Controlled synthesis of CuO nanostructures on Cu foil, rod and grid

CuO nanowires are synthesized by heating Cu foil, rod and grid in ambient without employing a catalyst or gas flow at temperatures ranging from 400 to 800 degrees C for a duration of 1-12 h. Scanning electron microscopy (SEM) investigation reveals the formation of nanowires. The structure, morphology and phase of the as-synthesized nanowires are analyzed by various techniques such as X-ray diffraction (XRD), transmission electron microscopy (TEM), X-ray photoelectron spectroscopy (XPS), thermogravimetric analysis (TGA) and Fourier transform infrared spectroscopy (FTIR). It is found that these nanowires are composed of CuO phase and the underlying film is of Cu2O. A systematic study is carried out to find the possibilities for the transformation of one phase to another completely. A possible growth mechanism for the nanowires is also discussed. (C) 2011 Elsevier B.V. All rights reserved.

A finite element method for compressible viscous fluid flows

This work presents a mixed three-dimensional finite element formulation for analyzing compressible viscous flows. The formulation is based on the primitive variables velocity, density, temperature and pressure. The goal of this work is to present a `stable' numerical formulation, and, thus, the interpolation functions for the field variables are chosen so as to satisfy the inf-sup conditions. An exact tangent stiffness matrix is derived for the formulation, which ensures a quadratic rate of convergence. The good performance of the proposed strategy is shown in a number of steady-state and transient problems where compressibility effects are important such as high Mach number flows, natural convection, Riemann problems, etc., and also on problems where the fluid can be treated as almost incompressible. Copyright (C) 2010 John Wiley & Sons, Ltd.

Some unusual features in the Raman spectrum of amorphous-carbon films obtained by pyrolysis of maleic anhydride

Laser micro-Raman spectroscopic measurements were done on the amorphous conducting carbon films obtained from maleic anhydride by pyrolysis process. We have found a predominant broad peak around 1140 cm(-1), in addition to the normally observed peaks in amorphous carbons around 1350 and 1600 cm(-1), and peak of medium intensity around 800 cm(-1). Here we discuss the possibility of conjugated polymer like bond alternating structure which can give rise to these unusual Raman features. (C) 1997 American Institute of Physics.

Stabilities of ternary carbides UWC1.75 and UWC2

The methane-hydrogen gas equilibration technique has been used to measure the chemical potential of carbon associated with two three-phase fields of the system U-W-C in the temperature range 973 to 1173 K. By combining the values of the chemical potential of carbon in the three-phase fields UC + W + UWC1.75 and UC + UWC1.75 + UWC2 Obtained in this study with the data on the Gibbs energy of formation of UC available in the literature, expressions for the Gibbs energies of formation of the two ternary carbides were derived: Delta(f)G degrees [UWC1.75] = -131, 600 - 300 T (+/-8000) J mol(-1) Delta(f)G degrees [UWC2] = -144, 800 - 32.0 T (+/- 10,000) J mol(-1) Although estimates of Gibbs energies of formation of the two ternary carbides TSWC1.75 and UWC2 have been reported, there have been no previous experimental determinations of thermodynamic properties of these compounds.

Structure of basic winged-bean lectin and a comparison with its saccharide-bound form

The crystal structure of the saccharide-free form of the basic form of winged-bean agglutinin (WBAI) has been solved by the molecular-replacement method and refined at 2.3 Angstrom resolution The final R factor is 19.74b for all data in the resolution range 8.0-2.3 Angstrom. The asymmetric unit contains two half-dimers, each located on a crystallographic twofold axis. The structure of the saccharide-free form is compared with that of the complex of WBAI wi th methyl-alpha-D-galactoside. The complex is composed of two dimers in the asymmetric unit. The intersubunit interactions in the dimer are nearly identical in the two structures The binding site of the saccharide-free structure contains three ordered water molecules at positions similar to those of the hydroxyl groups of the carbohydrate which an hydrogen bonded to the protein. Superposition of the saccharide-binding sites of the two structures shows that the major changes involve expulsion of these ordered water molecules and a shift of about 0.6 Angstrom of the main-chain atoms of the variable loop.

Studies on the Effect of Li2SO4 on the Structure of Lithium Borate Glasses

Thermal and spectroscopic investigations have been carried out on a number of glasses with a wide range of compositions in the pseudoternary glass system, Li2SO4-Li2O-B2O3, to understand the role of sulfate ions in modifying the borate glass structure. Both nuclear magnetic resonance (NMR) and infrared (IR) spectroscopic results indicate that four-coordinate boron atoms are retained in the glass structure to a greater extent in sulfate-containing glasses than in pure lithium borate glasses. There seems to be some evidence for the existence of sulfoborate-type units in Raman spectra in the region of 800-960 cm(-1). These conclusions are supported by the observed behavior of glass transition temperatures and molar volumes. The possibility of formation of sulfoborate-type units is discussed from bonding and thermodynamic points of view.