Development of circular function‐based gas‐kinetic scheme (CGKS) on moving grids for unsteady flows through oscillating cascades

In this paper, the circular function‐based gas‐kinetic scheme (CGKS), which was originally developed for simulation of flows on stationary grids, is extended to solve moving boundary problems on moving grids. Particularly, the unsteady flows through oscillating cascades are our major interests. The main idea of the CGKS is to discretize the macroscopic equations by the finite volume method while the fluxes at the cell interface are evaluated by locally reconstructing the solution of the continuous Boltzmann Bhatnagar–Gross–Krook equation. The present solver is based on the fact that the modified Boltzmann equation, which is expressed in a moving frame of reference, can recover the corresponding macroscopic equations with Chapman–Enskog expansion analysis. Different from the original Maxwellian function‐based gas‐kinetic scheme, in improving the computational efficiency, a simple circular function is used to describe the equilibrium state of distribution function. Considering that the concerned cascade oscillating problems belong to cases that the motion of surface boundary is known a priori, the dynamic mesh method is suitable and is adopted in the present work. In achieving the mesh deformation with high quality and efficiency, a hybrid dynamic mesh method named radial basic functions‐transfinite interpolation is presented and applied for cascade geometries. For validation, several numerical test cases involving a wide range are investigated. Numerical results show that the developed CGKS on moving grids is well applied for cascade oscillating flows. And for some cases where nonlinear effects are strong, the solution accuracy could be effectively improved by using the present method. Copyright © 2017 John Wiley & Sons, Ltd.     

Terahertz optical frequency comb generation with optimized cascaded difference frequency generation

Optical Review - A novel scheme that generates terahertz optical frequency comb (THz OFC) based on optimized cascaded difference frequency generation (OCDFG) with an aperiodically poled lithium...     

光谱分析用中合金钢标准物质的研制

介绍了光谱分析用25Cr3Mo3NiNbZrA中合金钢标准物质的研制过程。采用合理的冶炼锻轧工艺,选取不同部位的样品进行均匀性检验,确定了16个元素的认定值及扩展不确定度,并进行了线性、一致性考察以及与国内外同类标准物质的比对。     

SPECTRAL/HP ELEMENT METHOD WITH HIERARCHICAL RECONSTRUCTION FOR SOLVING NONLINEAR HYPERBOLIC CONSERVATION LAWS

The hierarchical reconstruction （HR） [Liu, Shu, Tadmor and Zhang, SINUM ＇07] has been successfully applied to prevent oscillations in solutions computed by finite volume, Runge-Kutta discontinuous Galerkin, spectral volume schemes for solving hyperbolic conservation laws. In this paper, we demonstrate that HR can also be combined with spectral/hp element method for solving hyperbolic conservation laws. An orthogonal spectral basis written in terms of Jacobi polynomials is applied. High computational efficiency is obtained due to such matrix-free algorithm. The formulation is conservative, and essential nomoscillation is enforced by the HR limiter. We show that HR preserves the order of accuracy of the spectral/hp element method for smooth solution problems and generate essentially non-oscillatory solutions profiles for capturing discontinuous solutions without local characteristic decomposition. In addition, we introduce a postprocessing technique to improve HR for limiting high degree numerical solutions.     

A highly selective nanogold-aptamer catalytic resonance scattering spectral assay for trace Hg using HAuCl4-ascorbic acid as indicator reaction

Single strand DNA (ssDNA) was used to modify nanogold to obtain a nanogold-aptamer resonance scattering (RS) probe (NGssDNA) for Hg²⁺, based on the formation of stable thymine-Hg²⁺-thymine (T-Hg²⁺-T) mismatches and aggregation of the released nanogold particles. After removing the aggregated particles by filtrate membrane, the excess NGssDNA in the filtration solution exhibit catalytic effect on the gold particle reaction between HAuCl₄ and ascorbic acid (AA) that appear as RS peak at 596 nm. When Hg²⁺ concentration increased, the RS intensity at 596 nm decreased. The decreased intensity is linear to Hg²⁺ concentration in the range of 0.00008-0.888 ng/mL Hg²⁺, with detection limit of 0.000034 ng/mL. The nanogold-aptamer catalytic RS assay was applied to determination of Hg²⁺ in water with satisfactory results.     

A rapid and sensitive immunonanogold resonance scattering spectral probe for complement 3

Gold nanoparticles in size of about 10 nm was used to label goat anti-human complement 3 (anti-C3) to obtain a sensitive and selective immunoresonance scattering spectral probe for C3. It was based on the immune reaction between labeled anti-C3 and C3 in the pH 5.6 Na₂HPO₄–citric acid buffer solutions and in presence of polyethylene glycol (PEG). The resonance scattering (RS) intensity at 560 nm enhanced greatly with C3. Well linear relationships between the enhanced RS intensity (I_RS) and the C3 concentration in the range of 8.33–200 ng ml⁻¹ were obtained, with a detection limit of 2.8 ng ml⁻¹ and the limit of quantification 8.51 ng ml⁻¹ for C3. The convenient and selective and sensitive assay was applied to quantification of C3 in human sera, with satisfactory results.     

7-trifluoromethylquinoline-functionalized luminescent photochromic spiropyran with the stable merocyanine species both in solution and in the solid state

A new spiropyran (SP2) with the stable merocyanine form (MC2) both in solution and in the solid state at room temperature was designed and synthesized. The stability of MC2 is believed to be due to the electron-withdrawing effect of both the quinoline and the trifluoromethyl groups. (1)H NMR spectra indicate that the ratio of the open form vs the closed form of SP2 is dependent on the polarity of solvents. Single crystals composed of only the open form (MC2) were successfully obtained. X-ray structural analysis indicates that except trifluoromethyl and two methyl groups MC2 is completely planar with an s-trans,s-cis conformation. It should be noted that this is the first report of the X-ray crystal structure of the pure open form of spiropyran. MC2 can be slowly transformed into SP2 at -30 degrees C or lower temperature, and the process is accelerated by visible light irradiation. This special photochromic behavior can be explained by the calculated thermodynamic data. The spectral properties of SP2/MC2 in the presence of different metal ions are also studied, and the results show the potential application of SP2/MC2 in sensing metal ions.     

支持向量机分类和回归用于肽的QSAR研究

使用支持向量机技术对两类肽化合物体系进行了分类和回归研究,并将其系统地与K最邻近法、多元线性回归、偏最小二乘、人工神经网络进行了比较。结果表明,对于小样本、非线性问题,支持向量机具有较强的稳定性能及泛化能力,在大多数情况下能够得到优于传统方法的建模效果。对于分类问题,支持向量机对训练集和测试集都达到了100%的分类正确率;对于回归问题,支持向量机虽对训练集样本拟合效果略低于人工神经网络,但对外部测试集却表现出较强的预测能力。