Effective medium theories for irregular fluffy structures: aggregation of small particles

The extinction efficiencies as well as the scattering properties of particles of different porosity are studied. Calculations are performed for porous pseudospheres with small size (Rayleigh) inclusions using the discrete dipole approximation. Five refractive indices of materials covering the range from 1.20+0.00i to 1.75+0.58i were selected. They correspond to biological particles, dirty ice, silicate, and amorphous carbon and soot in the visual part of the spectrum. We attempt to describe the optical properties of such particles using Lorenz-Mie theory and a refractive index found from some effective medium theory (EMT) assuming the particle is homogeneous. We refer to this as the effective model. It is found that the deviations are minimal when utilizing the EMT based on the Bruggeman mixing rule. Usually the deviations in the extinction factor do not exceed approximately 5% for particle porosity P = 0 - 0.9 and size parameters x(porous) = 2 pi r(s,porous)/lambda < or approximately = 25. The deviations are larger for scattering and absorption efficiencies and smaller for particle albedo and the asymmetry parameter. Our calculations made for spheroids confirm these conclusions. Preliminary consideration shows that the effective model represents the intensity and polarization of radiation scattered by fluffy aggregates quite well. Thus the effective models of spherical and nonspherical particles can be used to significantly simplify the computations of the optical properties of aggregates containing only Rayleigh inclusions.     

Solid-phase synthesis and characterization of rare-earth chromates

Simple chromates(V) MCrO₄ (M = Sc, Y, Gd, Er, or Yb) and chromate(V) vanadates Gd(CrO₄) _x (VO₄)_{1 ? x} have been synthesized by a solid-phase method. All compounds crystallize in the xenotime-type structure, space group I4₁/amd, Z = 4. The unit cell parameters have been calculated as follows: for GdCrO₄, a = 7.209(5) Å, c = 6.318(4) Å; for ErCrO₄, a = 7.088(2) Å, c = 6.231(1) Å; for YbCrO₄, a = 7.034(1) Å, c = 6.205(2) Å; for YCrO₄, a = 7.108(3) Å, c = 6.254(3) Å; and for ScCrO₄, a = 7.012(2) Å, c = 6.188(2) Å. Symmetry D _2d , established for the CrO₄ tetrahedron during the Rietveld structure refinement, is verified by IR spectroscopy. The MCrO₄ simple chromates are paramagnets; their magnetic moments range from 1.7 to 8.1 μ _B .     

Nonfunctionalized nanocrystals can exploit a cell's active transport machinery delivering them to specific nuclear and cytoplasmic compartments

We use high content cell analysis, live cell fluorescent imaging, and transmission electron microscopy approaches combined with inhibitors of cellular transport and nuclear import to conduct a systematic study of the mechanism of interaction of nonfunctionalized quantum dots (QDs) with live human blood monocyte-derived primary macrophages and cell lines of phagocytic, epithelial, and endothelial nature. Live human macrophages are shown to be able to rapidly uptake and accumulate QDs in distinct cellular compartment specifically to QDs size and charge. We show that the smallest QDs specifically target histones in cell nuclei and nucleoli by a multistep process involving endocytosis, active cytoplasmic transport, and entering the nucleus via nuclear pore complexes. Treatment of the cells with an anti-microtubule agent nocodazole precludes QDs cytoplasmic transport whereas a nuclear import inhibitor thapsigargin blocks QD import into the nucleus. These results demonstrate that the nonfunctionalized QDs exploit the cell's active transport machineries for delivery to specific intranuclear destinations.     

Numerical simulations of a coupled radiative–conductive heat transfer model using a modified Monte Carlo method

Radiative–conductive heat transfer in a medium bounded by two reflecting and radiating plane surfaces is considered. This process is described by a nonlinear system of two differential equations: an equation of the radiative heat transfer and an equation of the conductive heat exchange. The problem is characterized by anisotropic scattering of the medium and by specularly and diffusely reflecting boundaries. For the computation of solutions of this problem, two approaches based on iterative techniques are considered. First, a recursive algorithm based on some modification of the Monte Carlo method is proposed. Second, the diffusion approximation of the radiative transfer equation is utilized. Numerical comparisons of the approaches proposed are given in the case of isotropic scattering.     

Self-diffusion in granular gases: an impact of particles’ roughness

An impact of particles?? roughness on the self-diffusion coefficient D in granular gases is investigated. For a simplified collision model where the normal, ${\varepsilon}$ , and tangential, ??, restitution coefficients are assumed to be constant we develop an analytical theory for the diffusion coefficient, which takes into account non-Maxwellain form of the velocity-angular velocity distribution function. We perform molecular dynamics simulations for a gas in a homogeneous cooling state and study the dependence of the self-diffusion coefficient on ${\varepsilon}$ and ??. Our theoretical results are in a good agreement with the simulation data.     

Solid oxide fuel cell composite cathodes based on perovskite and fluorite structures

This work presents the results related to the functionally graded fluorite (F)-perovskite (P) nanocomposite cathodes for IT SOFC. Nanocrystalline fluorites (GDC, ScCeSZ) and perovskites (LSrMn, LSrFNi) were synthesized by Pechini method. Nanocomposites were prepared by the ultrasonic dispersion of F and P powders in isopropanol with addition of polyvinyl butyral. Different techniques for deposition and sintering of functionally graded cathode materials were applied including traditional approaches as well as original methods, such as radiation-thermal sintering under electron beam or microwave radiation. Morphology, microstructure and elemental composition of nanocomposites was characterized by XRD and HRTEM/SEM with EDX. Even for dense composites, the sizes of perovskite and fluorite domains remain in the nanorange providing developed P-F interfaces. Oxygen isotope heteroexchange and conductivity/weight relaxation studies demonstrated that these interfaces provide a path for fast oxygen diffusion. The redistribution of the elements between P and F phases in nanocomposites occurs without formation of insulating zirconate phases. Button-size fuel cells with nanocomposite functionally graded cathodes, thin YSZ layers and anode Ni/YSZ cermet (either bulk or supported on Ni-Al foam substrates) were manufactured. For optimized composition and functionally graded design of P-F nanocomposite cathodes, a stable performance in the intermediate temperature range with maximum power density up to 0.5 W cm⁻² at 700 °C in wet H₂/air feeds was demonstrated.     

Aggregation of experiments for estimation of hydrogen permeability parameters

The study of the hydrogen permeability of materials employs a variety of methods with their own specific features, advantages and drawbacks. The penetration method allows determining the diffusion coefficient from so-called lag time. The accuracy of the estimation depends on the degree of proximity to the DLR (diffusion limited regime) mode. The method of ‘communicating vessels’ is more sensitive to surface processes. ‘Separate’ application of these methods leads to a situation where the materials studied are in fact somewhat different (for example, due to different impacts on the surface), and significant differences in parameter estimates ensue. This paper suggests and implements a cascade experiment technique and the corresponding mathematical toolkit. The informative capacity of experimental studies and the accuracy of the estimation of hydrogen permeability parameters (diffusion, absorption, desorption) are thus enhanced.     

Determination of size and concentration of gold nanoparticles from extinction spectra

Extinction spectra of colloidal gold can be used for a simple and fast determination of the size and concentration of nanoparticles. It is generally accepted that experimental correlations of the particle size and concentration with the plasmon resonance properties are in agreement with Mie theory simulations. Here, we discuss this point in the context of a long-term collection of published experimental data and our T-matrix simulations, which account for deviations of the particle size from ideal monodisperse spheres. These deviations result in small but quite evident disagreements between the Mie calculations and the experimental calibration curves "particle size vs resonance wavelength". We present a long-term-averaged analytical particle-size calibration and also discuss the effects of the particle dielectric functions, shape and size polydispersity on simulated correlations between the extinction spectra and the average particle size, and concentration.