Characterization of diabatic two-phase flows in microchannels: Flow parameter results for R-134a in a 0.5 mm channel

An optical measurement method for two-phase flow pattern characterization in microtubes has been utilized to determine the frequency of bubbles generated in a microevaporator, the coalescence rates of these bubbles and their length distribution as well as their mean velocity. The tests were run in a 0.5 mm glass channel using saturated R-134a at 30 °C (7.7 bar). The optical technique uses two laser diodes and photodiodes to measure these parameters and to also identify the flow regimes and their transitions. Four flow patterns (bubbly flow, slug flow, semi-annular flow and annular flow) with their transitions were detected and observed also by high speed video. It was also possible to characterize bubble coalescence rates, which were observed here to be an important phenomena controlling the flow pattern transition in microchannels. Two types of coalescence occurred depending on the presence of small bubbles or not. The two-phase flow pattern transitions observed did not compare well to a leading macroscale flow map for refrigerants nor to a microscale map for air–water flows. Time averaged cross-sectional void fractions were also calculated indirectly from the mean two-phase vapor velocities and compared reasonably well to homogeneous values.     

Synthesis and structures of new chiral diamide‐ester macrocycles

A series of new hetero‐macrocyclic diamide‐ester compounds ( 4a — 4z, 6a — 6b ) were synthesized using 4‐(dimethylamino)pyridine as catalyst and characterization by infrared spectra, nuclear magnetic resonance spectra, mass spectra and elemental analyses. The structures of 4e and meso 4b were determined by X‐ray crystallography. The association constants of the compounds with various metal ions were determined by UV‐visible spectroscopic titration, and showed a selective recognition for certain metal ions.     

Direct Arylation of 5‐Iodouracil and 5‐Iodouridine with Heteroarenes and Benzene via Photochemical Reaction

A method for the direct arylation of 5‐iodouracil and 5‐iodouridine was found to proceed in moderate yields. By irradiating mixtures of 5‐iodouracil or 5‐iodouridine and a series of five‐membered heterocycles such as 1H‐pyrrole, furan, 2‐methylfuran, 1‐methyl‐1H‐pyrrole, thiophene, as well as benzene in MeCN/H₂O with a Hg lamp, 5‐aryluracils and 5‐aryluridines were synthesized. The reaction proceeded smoothly without the requirement of adding any transition metals or ligands.     

MRCI方法研究CSe(X1∑+)自由基的光谱常数和分子常数

采用内收缩多参考组态相互作用方法在0.08-2.5 nm的核间距范围内计算了CSe(X1∑+)自由基的势能曲线.为确保势能曲线的计算精度,C原子使用较大的相关一致基aug-cc-pV5Z,Se原子使用最大的相对论赝势基augcc-pV5Z-pp.对CSe(X1∑+)自由基的势能曲线进行了拟合,并进行了同位素识别,得到了该自由基6个主要同位素分子(12C74Se,12C76Se,12C77Se,12C78Se,12C80Se和12C82Se)的光谱常数De,D0,Re,ωe,ωexe,Be和αe,均与已有的实验结果较为一致.利用CSe(X1∑+)自由基的势能曲线,通过求解双原子分子核运动的径向Schr(o)dinger方程并进行同位素识别,找到了J=0时该自由基6个主要同位素分子的全部振动态.针对每一同位素分子的每一振动态,还分别计算了其振动能级、经典转折点和惯性转动常数等分子常数.文中的大部分光谱常数和分子常数属首次报道.     

One‐step synthesis of 2,4,5‐trisubstituted pyrimidines

A simple and straightforward methodology towards the synthesis of 2,4,5‐trisubstituted pyrimidines has been developed by one‐step reaction of isoflavones with thiourea or guanidine. Ten 2‐mercapto‐4,5‐diphenylpyrimidines and eight 2‐amino‐4,5‐diphenylpyrimidines were reported. All of them were characterized by FT‐IR, NMR, and elemental analysis. A variety of substrates can participate in the process with good yields and high purities, making this methodology suitable for library synthesis in drug discovery. J. Heterocyclic Chem., (2011).     

Phase-sensitive multimodal optical parametric amplifier for beam angle amplification

The single-mode phase-sensitive parametric amplifier has been proposed as an approximation to an ideal quantum phase amplifier. We demonstrate numerically that a real, multimode parametric amplifier operated in the spatial domain, and realized by the use of three-wave mixing in nonlinear media, behaves similar to a single-mode quantum phase amplifier, but exhibits smaller phase gain. Constraints for operation in this regime are found to be consistent with small departures of phase from the ideal deamplification condition.     

一个古老等式的组合证明

采用组合的方法,对∑nk=0n+kknk(m-1)n-k=∑nk=0nk2mk这一等式提供了一种全新的证明.此外,还提供了一种完全不用微积分的代数证明.     

A Constant Potential Molecular Dynamics Simulation Study of the Atomic‐Scale Structure of Water Surfaces Near Electrodes

Novel and technologically important processes and phenomena arise at water surfaces in the presence of electric fields. However, experimental measurements on water surfaces are challenging, and the results are scarce and inconclusive. In this work, the constant potential molecular dynamics method, in which the electrode charges are allowed to fluctuate to keep the electric potential fixed, was implemented in the study of a near‐electrode water surface systems. This simulation system was set up with a vapor/liquid‐water/vapor slab and two electrodes under different sets of applied electrostatic potential, yielding i) a detailed characterization of the external E‐field dependent electrostatic potential/density/dipole moment density profiles, and ii) the relationship between the water surface width and the applied electrode voltage differences which has been rarely reported. The adjustments in the number density profiles in the vicinity of water surfaces due to external E‐fields were observed, while the capillary interfacial widths for the surfaces near both cathode and anode were found with different increment rates under increasing E‐fields. By examining dipole density profiles across the water surfaces, we found that external E‐field induced polarization occurs in both bulk and surface regimes, yet the surface polarization densities vary asymmetrically with respect to the increasing E‐fields. Detailed discussions were carried out to explain the correlation between water surface tension and surface widths, as well as the interplay between the surface polarization densities and the hydrogen bond network structure. We conclude that the mechanical and structural properties of the water surfaces could be tuned by both magnitude and direction of the strong external E‐fields. We also recognize that more surface properties with application value, such as dielectric permittivity tensor or surface potential, could also be regulated by the external E‐fields.     

内嵌镧原子的磁性硅纳米线的第一性原理研究

基于密度泛函理论,系统研究了由两个La@Si_(16)组装而成的高度稳定的管状二聚体La_2@Si_(32)团簇.电子结构分析显示,内嵌La原子诱导的类sp~2杂化对于提高管状Si_(32)的稳定性至关重要.Mülliken布局分析显示,La_2@Si_(32)的总磁矩为2 μ_B,主要来源于两个La原子和第三、第六层的八个Si原子;电荷是由Si原子转移到了La原子上.此外,通过连接一系列La_2@Si_(32)单体而获得了一类组装的硅纳米线La@SiNW,研究结果显示La@SiNW具有金属导电特性,其总磁矩为2 μ_B.上述特征暗示具有磁性的La_2@Si_(32)和La@SiNW可能在自旋电子器件和高密度磁记录材料方面具有潜在的应用前景.     

Spin-Tunneling Time in Ferromagnetic/Semiconductor/Ferromagnetic Three-Terminal Heterojunction in the Presence of Rashba Spin-Orbit Coupling

We study theoretically the transmission coefficients and the spin-tunneling time in ferromagnetic/semiconductor/ferromagnetic three-terminal heterojunction in the presence of Rashba spin-orbit interaction, in which onedimensional quantum waveguide theory is developed and applied. Based on the group velocity concept and the particle current conservation principle, we calculate the spin-tunneling time as the function of the intensity of Rashba spin-orbit coupling and the length of the semiconductor. We find that as the length of the semiconductor increases, the spintunneling time does not increase linearly but shows behavior of slight oscillation. Furthermore, with the increasing of the spin-orbit coupling, the spin-tunneling time increases.