2D transient filtration model for aluminum

A two-dimensional, transient mathematical model representing the behavior of a deep-bed filter was developed. The flow and mass fraction equations are solved using CFX™ commercial code. The rate equation representing the inclusion deposition and re-entrainment is incorporated into a model as a source term of the mass fraction equation. The resistance of the bed is calculated using the pressure drop calculated by the Ergun equation. The model takes into account all the major physical processes occurring during filtration. For each time step, the model calculates the inclusion concentrations remaining in the liquid and deposited on the filter media. It updates the bed porosity and bed particle size as the inclusions deposit. The model can use either an average inclusion size or a discrete inclusion size distribution. It is also possible to assign different densities to different inclusion sizes if an inclusion distribution is used.     

Non-equilibrium cation distribution and enhanced spin disorder in hollow CoFe2O4 nanoparticles

We present magnetic properties of hollow and solid CoFe(2)O(4) nanoparticles that were obtained by annealing of Co(33)Fe(67)/CoFe(2)O(4) (core/shell) nanoparticles. Hollow nanoparticles were polycrystalline whereas the solid nanoparticles were mostly single crystal. Electronic structure studies were performed by photoemission which revealed that particles with hollow morphology have a higher degree of inversion compared to solid nanoparticles and the bulk counterpart. Electronic structure and the magnetic measurements show that particles have uncompensated spins. Quantitative comparison of saturation magnetization (M(S )), assuming bulk Néel type spin structure with cationic distribution, calculated from quantitative XPS analysis, is presented. The thickness of uncompensated spins is calculated to be significantly large for particles with hollow morphology compared to solid nanoparticles. Both morphologies show a lack of saturation up to 7 T. Moreover magnetic irreversibility exists up to 7 T of cooling fields for the entire temperature range (10-300 K). These effects are due to the large bulk anisotropy constant of CoFe(2)O(4) which is the highest among the cubic spinel ferrites. The effect of the uncompensated spins for hollow nanoparticles was investigated by cooling the sample in large fields of up to 9 T. The magnitude of horizontal shift resulting from the unidirectional anisotropy was more than three times larger than that of solid nanoparticles. As an indication signature of uncompensated spin structure, 11% vertical shift for hollow nanoparticles is observed, whereas solid nanoparticles do not show a similar shift. Deconvolution of the hysteresis response recorded at 300 K reveals the presence of a significant paramagnetic component for particles with hollow morphology which further confirms enhanced spin disorder.     

Dynamic crack analysis in 2D elastic solids with the singular edge-based smoothed finite element method

The singular edge-based smoothed finite element method (sES-FEM) is developed for stationary dynamic crack analysis in two-dimensional (2D) elastic solids. The paper aims at providing a better understanding of the dynamic fracture behaviors in linear elastic solids by means of the strain smoothing technique. The strains are smoothed and the system stiffness matrix is performed using the strain smoothing over the smoothing domains associated with the element edges. A two-layer singular five-node crack-tip element is employed while the standard implicit time integration scheme is used for solving the discrete sES-FEM equation system. Dynamic stress intensity factors (DSIFs) are extracted using the domain-form of interaction integrals in terms of the smoothing technique. The normalized DSIFs are compared with reference solutions showing a high accuracy of the sES-FEM. (© 2012 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim)     

Amino acid catalyzed direct asymmetric aldol reactions: a bioorganic approach to catalytic asymmetric carbon-carbon bond-forming reactions.

Direct asymmetric catalytic aldol reactions have been successfully performed using aldehydes and unmodified ketones together with commercially available chiral cyclic secondary amines as catalysts. Structure-based catalyst screening identified L-proline and 5,5-dimethyl thiazolidinium-4-carboxylate (DMTC) as the most powerful amino acid catalysts for the reaction of both acyclic and cyclic ketones as aldol donors with aromatic and aliphatic aldehydes to afford the corresponding aldol products with high regio-, diastereo-, and enantioselectivities. Reactions employing hydroxyacetone as an aldol donor provide anti-1,2-diols as the major product with ee values up to >99%. The reactions are assumed to proceed via a metal-free Zimmerman-Traxler-type transition state and involve an enamine intermediate. The observed stereochemistry of the products is in accordance with the proposed transition state. Further supporting evidence is provided by the lack of nonlinear effects. The reactions tolerate a small amount of water (<4 vol %), do not require inert reaction conditions and preformed enolate equivalents, and can be conveniently performed at room temperature in various solvents. In addition, reaction conditions that facilitate catalyst recovery as well as immobilization are described. Finally, mechanistically related addition reactions such as ketone additions to imines (Mannich-type reactions) and to nitro-olefins and alpha,beta-unsaturated diesters (Michael-type reactions) have also been developed.     

On optimization of continuous-time Markov networks in distributed computing

The paper presents a new stochastic model for studying the optimization of functioning rules in distributed computing. In this model a network is represented by a finite number of continuous-time homogeneous Markov processes which are connected by relations between entries of their intensity matrices. Good functioning rules are those optimizing a guide function defined according to the context. Two specific optimization problems are studied: a problem of resource allocation with conflicts between processes, and a problem of access to shared resources. The latter is a linearly constrained nonconvex problem with an objective function which is a sum of ratios of linear functions of special form.     

Whole Blood Diagnostics in Standard Gravity and Microgravity by Use of Microfluidic Structures (T-Sensors)

 In channels with dimensions much less than 1 mm, fluids with viscosities similar to or higher than that of water and flowing at low velocities exhibit laminar behavior. This allows the adjacent flow of fluids and particles in a channel without mixing other than by diffusion. We demonstrate here the use of a 3-input microfluidic device known as a T-Sensor for the analysis of blood. A sample solution (e.g. whole blood), a receptor solution (e.g. an indicator solution), and a reference solution (a known analyte standard) are introduced into a common channel (T-Sensor), and flow side by side until they leave the structure. Smaller particles such as ions or small proteins diffuse rapidly across the fluid boundaries, whereas larger molecules diffuse more slowly. Large particles (e.g. blood cells) show no significant diffusion within the time the flow streams are in contact. Two interface zones are formed between the fluid layers. The ratio of a property (e.g. fluorescence intensity) of the outer portions of the two interface zones is a function of the concentration of the analyte, and is largely free of cross-sensitivities to other sample components and instrument parameters. This device allows, for example, one-time or continuous monitoring of the concentration of analytes in microliters of whole blood without the use of membranes or prior removal of blood cells. The principle is illustrated by the determination of pH and human albumin in whole blood and serum. Results are also presented for zero-gravity experiments performed with a T-Sensor on board a NASA experimental plane. Due to its microfluidic flow characteristics, a T-Sensor functions independently of orientation and strength of the gravitational field. This was demonstrated by exposing a T-Sensor to variations in gravity from 0 to 1.8 g in a NASA KC135A plane flying repetitive parabolic flight curves. Received May 22, 1998. Revision November 10, 1998.     

二维接力-HOHAHA和NOE差谱法测定甙类化合物的结构

该文提出一种新的二维接力-HOHAHA实验方法.研究结果表明,该方法可用于从高度重迭的谱图中分离出各个糖体的¹H NMR信号,并且与NOE差谱实验相结合可以用于测定甙类化合物中糖体间和糖体与甙元间的连接位置.本方法以¹H NMR为基础,故其灵敏度比以¹³C NMR为基础的甙化位移方法高得多.     

The superconducting fluctuation optical conductivity of iron-based superconductors

The European Physical Journal B - The physical properties of a quantum many-body system can, in principle, be determined by diagonalizing the respective Hamiltonian, but the dimensions of its...