Ab-initio simulation of elastic constants for some ceramic materials

Athermal elasticity for some ceramic materials (α-Al₂O₃, SiC (α and β phases), TiO₂ (rutile and anatase), hexagonal AlN and TiB₂, cubic BN and CaF₂, and monoclinic ZrO₂) have been investigated via density functional theory. Energy-volume equation-of-state computations to obtain the zero pressure equilibrium volume and bulk modulus as well as computations of the full elastic constant tensor of these ceramics at the experimental zero pressure volume have been performed. The present results for the single crystal elasticity are in good agreement with experiments both for the aggregate properties (bulk and shear modulus) and the elastic anisotropy. In contrast, a considerable discrepancy for the zero pressure bulk modulus of some ceramics evaluated from the energy-volume fit to the computational zero pressure volume has been observed.     

An efficient sampling method for stochastic inverse problems

A general framework is developed to treat inverse problems with parameters that are random fields. It involves a sampling method that exploits the sensitivity derivatives of the control variable with respect to the random parameters. As the sensitivity derivatives are computed only at the mean values of the relevant parameters, the related extra cost of the present method is a fraction of the total cost of the Monte Carlo method. The effectiveness of the method is demonstrated on an example problem governed by the Burgers equation with random viscosity. It is specifically shown that this method is two orders of magnitude more efficient compared to the conventional Monte Carlo method. In other words, for a given number of samples, the present method yields two orders of magnitude higher accuracy than its conventional counterpart.     

带利息力和干扰的批量索赔一般到达风险模型

本文在经典风险模型的基础上,将索赔到达过程推广为更新过程,索赔可以批量到达,且带有常数利息力和Brown运动干扰项,得到一个新的风险模型,运用Markov骨架过程的方法,得出盈余过程的瞬时分布和生存概率.     

Effective thermal conductivity of water-saturated sintered powder-metal plates

An experimental apparatus and related procedures for the determination of the effective thermal conductivity of sintered powder-metal plates saturated with distilled water at temperatures in the range 20–150°C are discussed. The apparatus and procedures are applied to two samples of sintered powder-metal plates, one made of nickel 200 and the other of stainless steel 316, with porosities of 28.10 and 46.45%, respectively, and each of nominal dimensions 127 mm × 127 mm × 6.35 mm. The experimental results are compared with corresponding predictions yielded by several correlations available in the literature. The correlations based on experimental data for packed beds of spherical particles and also porous plates made of cold-pressed (but not sintered) particles of angular shapes do not apply well to sintered powder-metal plates. A new correlation, which is based on extensions of ideas contained in earlier works and provides improved predictions, is proposed.     

Hyperfine structure of a hydrogen-like atom due to orbit-orbit,spin-orbit,and spin-spin interactions

A nonrelativistic model of a hydrogen-like atom is considered. This model is used to calculate corrections to the energy spectrum of the atom. The analysis is based on a Hamiltonian that includes the intratomic fields generated by the electron and the nucleus.     

Deformation of styrene—divinylbenzene copolymers and hypercrosslinked polystyrenes during solvent adsorption and desorption

An automated procedure was developed for monitoring fast changes in the size of spherical samples of polymers during their contact with a solvent or drying. The kinetics of bulk deformation in these processes was studied for a series of cross-linked polymers, viz., gel-type and porous styrene—divinylbenzene copolymers and poly(divinylbenzenes), and hypercrosslinked polystyrenes. Gel, macroporous, and hypercrosslinked polystyrenes are substantially different in the rate, mechanism, and degree of swelling, which is associated with the principal differences in their physical structures. An unusual effect of a sharp decrease followed by a temporary increase in the volume of porous polystyrene and poly(divinylbenzene) materials were observed during desorption (evaporation) of organic solvents. Water desorption is accompanied by an excessive bulk compression of porous granules giving rise to negative deformations, which gradually relax to the state equilibrium for the dry polymer. The results of dynamic desorption porometry (for water desorption) are indicative of a bimodal size distribution of micropores in hypercrosslinked polystyrene. Published in Russian in Izvestiya Akademii Nauk. Seriya Khimicheskaya, No. 3, pp. 467–476, March, 2007.     

Molecular dynamics simulation of P-V-T relationship of ZnO with rock-salt structure using pair-wise interactions

Molecular dynamics (MD) method is used to investigate the behavior of the pressure-volume-temperature (P-V-T) relationship, lattice constant and thermal expansivity for ZnO with rock-salt structure at high pressures and temperatures. The interionic potential is taken to be the sum of pair-wise additive Coulomb, van der Waals attraction, and repulsive interactions. The isothermal and isobaric properties are discussed from the corresponding P-V-T relationship, and it is shown that the MD simulation is successful in reproducing the measured volumes of ZnO over a wide range of temperature and pressure. Meanwhile, the equations of state parameters including lattice constant, linear thermal expansion coefficient, and isothermal bulk modulus are calculated and compared with the available experimental data and the latest theoretical results. At an extended pressure and temperature range, P-V-T relationship, lattice constant, and linear thermal expansion coefficient have been predicted. The structural and thermodynamic properties of ZnO with rock-salt structure are summarized in the pressure 0-100 GPa ranges and the temperature up to 3100 K.     

Relations for extrema of the work of aggregation in micellar solutions

Exact relations for the dependence of the positions of extrema of the aggregation work on the aggregation number axis on the surfactant monomer concentration are found for a dilute micellar solution. Relations for the half-widths of the vicinities of the extrema of the aggregation work are determined also. These half-widths are determined by the condition that, within the boundaries of their values, the aggregation work deviates from its extreme values by a thermal unit. The relations derived are illustrated by calculations based on the droplet and quasi-droplet models of spherical aggregates of nonionic surfactant. Some important applications of the obtained results to the theory of relaxation in micellar solutions are considered.     

640 × 512 pixel narrow-band, four-band, and broad-band quantum well infrared photodetector focal plane arrays

A 9 μm cutoff 640 × 512 pixel hand-held quantum well infrared photodetector (QWIP) camera has been demonstrated with excellent imagery. A noise equivalent differential temperature (NEDT) of 10.6 mK is expected at a 65 K operating temperature with f/2 optics at a 300 K background. This focal plane array has shown background limited performance at a 72 K operating temperature with the same optics and background conditions. In this paper, we discuss the development of this very sensitive long-wavelength infrared camera based on a GaAs/AlGaAs QWIP focal plane array and its performance in quantum efficiency, NEDT, uniformity, and operability. In the second section of this paper, we discuss the first demonstration of a monolithic spatially separated four-band 640 × 512 pixel QWIP focal plane array and its performance. The four spectral bands cover 4–5.5, 8.5–10, 10–12, and 13.5–15 μm spectral regions with 640 × 128 pixels in each band. In the last section, we discuss the array performance of a 640 × 512 pixel broad-band (10–16 μm full-width at half-maximum) QWIP focal plane.     

Formation of coherent spatial structures in the reaction-diffusion atmospheric system under the action of a planetary wave

On the example of the effect of an atmospheric wave with given amplitude on the density oscillations of minor gas constituents near the mesopause (at heights 80–90 km, we consider the influence of the quasi-resonant periodic spatial transport on a distributed system responding subharmonically to a periodic external action (diurnal sunlight variations). Numerical modeling revealed the formation of a coherent horizontal distribution of the dynamical variables (i.e., the concentrations of small constituents). Application of this effect to the mesopause conditions is discussed.Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Radiofizika, Vol. 47, No. 9, pp. 739–752, September, 2004.