Precious Metal Catalysts Supported on Ceramic and Metal Monolithic Structures for the Hydrogen Economy

In a typical temperature-programmed desorption (TPD) experiment on a supported metal catalyst, a small amount of catalyst (10–200 mg) is contained in a reactor that can be heated by a furnace. An inert gas, usually helium at atmospheric pressure, flows over the catalyst. Following pretreatment to obtain a reduced catalyst, a gas is adsorbed on the surface, usually by pulse injections of the adsorbate into the carrier gas upstream from the reactor. After the excess gas is flushed out, the catalyst is heated to create a linear rise in temperature with time. A small thermocouple inserted in the catalyst measures the temperature and a detector downstream measures the change in the inert gas stream. The ideal detector is a mass spectrometer which measures the composition of the effluent stream as a function of catalyst temperature. Because of the high carrier-gas flow rate, the detector response is proportional to the rate of desorption if diffusion and readsorption are not limiting.     

Nonlinear Wave Simulation on a Surface of Liquid Film Entrained by Turbulent Gas Flow at Weightlessness

The article considers the joint flow of a liquid film entrained by turbulent gas. Since liquid velocity is small in comparison with gas velocity, the problem is reduced to the calculation of pressure and shear stresses produced by the gas flowing over a wavy wall with small amplitude. Further, these data are used at the boundary conditions, when the flow of a liquid film is considered separately. As a result, we obtain a new system of equations for modeling the dynamics of long-wave perturbations on the surface of a viscous liquid film entrained by turbulent gas at microgravity. At small Reynolds numbers typical to the condition of microgravity, it was proved that this system is reduced to one evolution equation for the film thickness. Some numerical solutions of this equation have been received in this work.     

Image segmentation using active contours driven by the Bhattacharyya gradient flow.

This paper addresses the problem of image segmentation by means of active contours, whose evolution is driven by the gradient flow derived from an energy functional that is based on the Bhattacharyya distance. In particular, given the values of a photometric variable (or of a set thereof), which is to be used for classifying the image pixels, the active contours are designed to converge to the shape that results in maximal discrepancy between the empirical distributions of the photometric variable inside and outside of the contours. The above discrepancy is measured by means of the Bhattacharyya distance that proves to be an extremely useful tool for solving the problem at hand. The proposed methodology can be viewed as a generalization of the segmentation methods, in which active contours maximize the difference between a finite number of empirical moments of the "inside" and "outside" distributions. Furthermore, it is shown that the proposed methodology is very versatile and flexible in the sense that it allows one to easily accommodate a diversity of the image features based on which the segmentation should be performed. As an additional contribution, a method for automatically adjusting the smoothness properties of the empirical distributions is proposed. Such a procedure is crucial in situations when the number of data samples (supporting a certain segmentation class) varies considerably in the course of the evolution of the active contour. In this case, the smoothness properties of the empirical distributions have to be properly adjusted to avoid either over- or underestimation artifacts. Finally, a number of relevant segmentation results are demonstrated and some further research directions are discussed.     

Blind deconvolution of medical ultrasound images: a parametric inverse filtering approach.

The problem of reconstruction of ultrasound images by means of blind deconvolution has long been recognized as one of the central problems in medical ultrasound imaging. In this paper, this problem is addressed via proposing a blind deconvolution method which is innovative in several ways. In particular, the method is based on parametric inverse filtering, whose parameters are optimized using two-stage processing. At the first stage, some partial information on the point spread function is recovered. Subsequently, this information is used to explicitly constrain the spectral shape of the inverse filter. From this perspective, the proposed methodology can be viewed as a "hybridization" of two standard strategies in blind deconvolution, which are based on either concurrent or successive estimation of the point spread function and the image of interest. Moreover, evidence is provided that the "hybrid" approach can outperform the standard ones in a number of important practical cases. Additionally, the present study introduces a different approach to parameterizing the inverse filter. Specifically, we propose to model the inverse transfer function as a member of a principal shift-invariant subspace. It is shown that such a parameterization results in considerably more stable reconstructions as compared to standard parameterization methods. Finally, it is shown how the inverse filters designed in this way can be used to deconvolve the images in a nonblind manner so as to further improve their quality. The usefulness and practicability of all the introduced innovations are proven in a series of both in silico and in vivo experiments. Finally, it is shown that the proposed deconvolutioh algorithms are capable of improving the resolution of ultrasound images by factors of 2.24 or 6.52 (as judged by the autocorrelation criterion) depending on the type of regularization method used.     

Sequence-specific retention calculator. A family of peptide retention time prediction algorithms in reversed-phase HPLC: applicability to various chromatographic conditions and columns

Separation selectivity of C18 reversed-phase columns from different manufacturers has been compared to evaluate the applicability of our sequence-specific retention calculator (SSRCalc) peptide retention prediction algorithms. Three different versions of SSRCalc are currently in use: 300-A pore size sorbents (TFA as ion-pairing modifier, pH 2), 100 A (TFA, pH 2), and 100 A (pH 10), which have been applied for the separation of randomly chosen mixture of tryptic peptides. The major factor affecting separation selectivity of C18 sorbents was found to be apparent pore size, while differences in end-capping chemistry do not introduce a significant impact. The introduction of embedded polar groups to the C18 functionality increases the retention of peptides containing hydrophobic amino acid residues with polar groups: Tyr and Trp. We also demonstrate that changing the ion-pairing modifier to formic/acetic acid significantly reduces the algorithm's predictive ability, so models developed for different eluent conditions cannot be compared directly to each other.     

Piezoelectric gate for a two-dimensional electron system transport in LiNbO3-GaAs/AlGaAs sandwich structures

Standing-wave piezoelectric fields in the LiNbO(3) driving plate are used to form depleted and accumulated electron densities in GaAs/AlGaAs quantum wells (QWs). The photoluminescence spectrum of the two-dimensional electron system varies both spatially and temporally, exhibiting an electron-hole plasma recombination and exciton and trion emissions at large and small electron densities, respectively. Controlling the piezoelectric field component perpendicular to the QW layers offers a versatile tool to achieve the spatially indirect exciton luminescence in double QW structures.     

Internal structure visualization and lithographic use of periodic toroidal holes in liquid crystals

The formation of a large-area ordered structure by organic molecular soft building blocks is one of the most exciting interdisciplinary research areas in current materials science and nanotechnology. So far, several distinct organic building blocks--including colloids, block copolymers and surfactants--have been examined as potential materials for the creation of lithographic templates. Here, we report that perfect ordered arrays of toric focal conic domains (TFCDs) covering large areas can be formed by semi-fluorinated smectic liquid crystals. Combined with controlled geometry, that is, a microchannel, our smectic liquid-crystal system exhibits a high density of TFCDs that are arranged with remarkably high regularity. Direct visualization of the internal structure of the TFCDs clearly verified that the smectic layers were aligned normal to the side walls and parallel to the top surface, and merge with the circular profile on the bottom wall surface. Moreover, we demonstrate a new concept: smectic liquid-crystal lithography. Grown in microchannels from a mixture of liquid-crystal molecules and fluorescent particles, TFCDs of the smectic liquid crystals acted as a template, trapping particles in an ordered array. Our findings pose new theoretical challenges and potentially enable lithographic applications based on smectic liquid-crystalline materials.     

Time-domain ab initio study of Auger and phonon-assisted auger processes in a semiconductor quantum dot

We developed time-domain ab initio simulation of Auger phenomena, including multiple exciton generation (MEG) and recombination (MER). It is the first approach describing phonon-assisted processes and early dynamics. MEG starts below the electronic threshold, strongly accelerating with energy. Ligands are particularly important to phonon-assisted MEG, which therefore can be probed with infrared spectroscopy. Short-time gaussian component gives 5-10% of MEG, justifying rate theories that assume exponential dynamics. MER is preceded by electron-phonon relaxation to low energies.