On the scatter ranges for the elastic moduli of random aggregates of general anisotropic crystals

A randomly inhomogeneous material may have macroscopic properties (elasticity, conductivity) scattered over some uncertainty intervals, despite the idealistic uniqueness assumption of homogenization theory. Based on minimum energy principles and certain statistical isotropy-symmetry hypotheses, our partly third-order bounds on the effective properties of random polycrystals are expected to estimate those scatter ranges. Explicit expressions are given and calculated for the elastic moduli of the random aggregates of some known monoclinic and triclinic crystals, which yield results in agreement with those calculated for higher-symmetry crystals: the moduli are determinable within an accuracy of two or three significant digits in most cases. It is shown, however, that with some real-world exotic crystals the bounds may fall far apart, and further theoretical and experimental studies on them deserve attention.     

Evolution of an asymmetric turbulent shear layer in a thermocline

Large eddy simulations are used to examine the evolution of a shear layer in a thermocline with non-uniform density stratification. Unlike previous studies, the density in the present study is continuously stratified and has stratification in the upper half different from the lower half of the shear layer. The stratification in the upper half is fixed at J_u = 0.05, while the stratification in the lower half is increased to J_d = 0.05, 0.15, 0.25 and 0.35, leading to a progressively stronger asymmetry of the Ri_g profile in the four cases. Here, J is the bulk Richardson number and Ri_g is the gradient Richardson number. The type of shear instability and the properties of the ensuing turbulence are found to depend strongly on the degree of asymmetry in stratification. The shear instability changes from a Kelvin–Helmholtz (KH) mode at J_d = 0.05 to a Holmboe (H) mode at J_d = 0.35 and exhibits characteristics of both KH and H modes at intermediate values of J_d. Differences in the evolution among the cases are quantified using density visualisations and statistics such as mean shear, mean stratification and turbulent kinetic energy.     

The optical properties and energy transition process in nanocomposite of polyvinyl-pyrrolidone polymer and Mn-doped ZnS

This study has been carried out on the optical properties of polyvinyl-pyrrolidone (PVP), the energy transition process in nanocomposite of PVP capped ZnS:Mn nanocrystalline and the influence of the PVP concentration on the optical properties of the PVP capped ZnS:Mn nanocrystalline thin films synthesized by the wet chemical method. The microstructures of the samples were investigated by X-ray diffraction, the atomic absorption spectroscopy, and transmission electron microscopy. The results showed that the prepared samples belonged to the sphalerite structure with the average particle size of about 2–3 nm. The optical properties of samples are studied by measuring absorption, photoluminescence (PL) spectra and time-resolved PL spectra in the wavelength range from 200 to 700 nm at 300 K. From data of the absorption spectra, the absorption edge of PVP polymer was found about of 230 nm. The absorption edge of PVP capped ZnS:Mn nanoparticles shifted from 322 to 305 nm when the PVP concentration increases. The luminescence spectra of PVP showed a blue emission with peak maximum at 394 nm. The luminescence spectra of ZnS:Mn–PVP exhibits a blue emission with peak maximum at 437 nm and an orange–yellow emission of ion Mn²⁺ with peak maximum at 600 nm. While the PVP coating did not affect the microstructure of ZnS:Mn nanomaterial, the PL spectra of the PVP capped ZnS:Mn samples were found to be affected strongly by the PVP concentration.     

Control of defect concentrations within a semiconductor through adsorption

The technologically useful properties of a crystalline solid depend upon the concentration of defects it contains. Here we show that defect concentrations as deep as 0.5 microm within a semiconductor can be profoundly influenced by gas adsorption. Self-diffusion rates within silicon show that nitrogen atoms adsorbed at less than 1% of a monolayer lead to defect concentrations that vary controllably over several orders of magnitude. The results show that previous measurements of diffusion and defect thermodynamics in semiconductors may have suffered from neglect of adsorption effects.     

Multiple resonance heteronuclear decoupling under MAS: dramatic increase of spectral resolution at moderate magnetic field and MAS frequencies

The effects of multiple-resonance heteronuclear decoupling under magic angle spinning (MAS) on the resolution of one-dimensional ¹⁹F and ³¹P and various two-dimensional MAS NMR spectra and on the residual non-refocusable coherence lifetimes in fluorinated aluminophosphate AlPO₄-CJ2, i.e. a compound that contains numerous highly abundant nuclei but no homonuclear spin bath, has been investigated. The design of the four-channel (¹H, ¹⁹F, ²⁷Al, ³¹P) MAS probe used for this study is first described. ¹H and ¹H–²⁷Al double-resonance decouplings allows lengthening the optimized transverse relaxation and increasing the resolution in the ¹⁹F and ³¹P dimensions. Under the application of multi-nuclear decoupling, a two-dimensional ¹⁹F–³¹P CP-HETCOR correlation spectrum for AlPO₄-CJ2 is recorded with unprecedented high-resolution in the two dimensions. Moreover, because ¹H-decoupling increases the ¹⁹F , it has been applied during the entire duration of the 2D NMR experiments, allowing the direct use of residual small interactions to generate ¹⁹F–¹⁹F and ¹⁹F–²⁷Al 2D NMR correlation spectra in AlPO₄-CJ2.     

Pulsed laser deposition of PZT/Pt composite thin films with high dielectric constants

PbZr_0.53Ti_0.47O₃ (PZT) thin films containing nanoparticles of Pt (3–10 nm) were produced using pulsed laser deposition (PLD). The Pt content can be tuned by varying the energy density of the laser beam. Phase and microstructure analysis of the thin films was performed using XRD, SEM, TEM and AFM. The electrical properties were investigated by C–V and I–V measurements. The effective dielectric constant of the composite films increased substantially through the Pt dispersion. These films are promising candidates, for instance, for high-density dynamic random access memory (DRAM) devices. PACS 77.22.Ch; 77.84.Lf; 81.15.Fg     

Influence of ultrasonication and Fenton oxidation pre-treatment on rheological characteristics of wastewater sludge

The effect of ultrasonication and Fenton oxidation as physico-chemical pre-treatment processes on the change of rheology of wastewater sludge was investigated in this study. Pre-treated and raw sludges displayed non-Newtonian rheological behaviour with shear thinning as well as thixotropic properties for total solids ranging from 10 g/L to 40 g/L. The rheological models, namely, Bingham plastic, Casson law, NCA/CMA Casson, IPC Paste, and power law were also studied to characterize flow of raw and pre-treated sludges. Among all rheological models, the power law was more prominent in describing the rheology of the sludges. Pre-treatment processes resulted in a decrease in pseudoplasticity of sludge due to the decrease in consistency index K varying from 42.4 to 1188, 25.6 to 620.4 and 52.5 to 317.9; and increase in flow behaviour index n changing from 0.5 to 0.35, 0.62 to 0.55 and 0.63 to 0.58, for RS, UlS and FS, respectively at solids concentration 10–40 g/L. The correlation between improvement of biodegradability and dewaterability, decrease in viscosity, and change in particle size as a function of sludge pre-treatment process was also investigated. Fenton oxidation facilitated sludge filterability resulting in capillary suction time values which were approximately 50% of the raw sludges, whereas ultrasonication with high input energy deteriorated the filterability. Biodegradability was also enhanced by the pre-treatment processes and the maximum value was obtained (64%, 77% and 73% for raw, ultrasonicated and Fenton oxidized sludges, respectively) at total solids concentration of 25 g/L. Hence, pre-treatment of wastewater sludge modified the rheological properties so that: (1) the flowability of sludge was improved for transport through the treatment train (via pipes and pumps); (2) the dewaterability of wastewater sludge was enhanced for eventual disposal and; (3) the assimilation of nutrients by microorganisms for further value-addition was increased.     

Structural and compositional heterogeneities in liquid aluminosilicate: insight from a grain structure model

Network structure as well as structural and compositional heterogeneities in aluminosilicate (Al₂O₃-2SiO₂) under compression is investigated by analysis and visualization of simulation data. Structural and compositional heterogeneities are clarified through analysis of topology structure and size distribution of TO _x -clusters (T = Si, Al; x = 3, 4, 5, 6) as well as OT _y -clusters (y = 2, 3, 4). The TO _x -cluster can be considered as TO _x -grains. It appears that the structure of aluminosilicate is the mixture of TO _x -grains with a different short-range order structure and this is the origin of structural heterogeneity. Regarding their composition, the OSi _y - and OAl _y -clusters can be considered as silica- and alumina-grains respectively, and the structure of aluminosilicate can thus be considered to be formed from silica- and alumina-grains. This results in compositional heterogeneity. Moreover, the degree of polymerization and polyamorphism as well as dynamic heterogeneity is also discussed in detail.     

Metal-doped apatitic calcium phosphates: preparation,characterization, and reactivity in the removal of hydrogen sulfide from gas phase

With the expansion of human activities, there are more and more living areas adjacent to industrial and/or agricultural activities such as chemical processes, petroleum processes, paint finishing, food processing, livestock farming, composting plants etc. Bad odor is part of several nuisances caused by industrial and/or agricultural activities. Hydrogen sulfide (H₂S) is a typical odorous molecule which causes foul odor at very low concentration. This molecule is formed in different industrial installations, in particular in coal combustion, and petrochemical refinery. The separation and/or transformation of H₂S from gas phase to odorless products are important processes for sustainable development. In this paper, we communicate the preparation of new sorbents for the sorption of H₂S from a synthetic gas effluent. These sorbents consist in an inorganic phase (hydroxyapatite) as host particles, and well-dispersed particles of a metal oxide as guest particles which are the active phase for the removal of H₂S. At room conditions, iron, lead, and zinc doped calcium phosphates were found to be effective for the removal of H₂S. The performance of the sorbents depends on preparation method and the nature of active phases. This opens new prospects for the treatment of H₂S from gas phase.