S-烃基-1-烃基-3-[4-(5-取代苯并咪唑-2-巯基)苯基]异硫脲的合成及生物活性

以 5 甲氧基 (或氯 ) 2 巯基苯并咪唑 ( 1)为原料 ,经缩合和还原得到 5 甲氧基 (或氯 ) 2 ( 4 氨基苯硫基 )苯并咪唑 ( 3 ) ,再与异硫氰酸烃基酯反应得到取代硫脲 4,最后与卤代烃反应得到 12个新的S 烃基 1 烃基 3 [4 ( 5 甲氧基 (或氯 )苯并咪唑 2 巯基 )苯基 ]异硫脲化合物 5 .其结构经IR ,1 HNMR ,MS及元素分析确证 .初步的药理试验表明 ,12个目标化合物的iNOS抑制活性均强于阳性对照药氨基胍     

Metastable fluid flow described via a discrete-velocity coagulation-fragmentation model

A discrete-velocity Boltzmann model is introduced. It is based on two principles: (i) clusters of particles move in ³ with seven fixed momenta; (ii) clusters may gain or lose particles according to the rules of Becker-Döring cluster equations. The model provides a kinetic representation of evaporation and condensation. The model is used to obtain macroscopic fluid equations which are valid into the metastable fluid regime, , where is any positive number, is the inelastic Knudsen number, and _s is the saturation density.     

冲击压缩下玻璃等脆性材料中失效波的研究进展

失效波的研究始于Rasorenov和Kanel发现K1 9玻璃样品后自由表面速度时程曲线上有反常再压缩信号。失效波是二十世纪九十年代冲击动力学研究领域的一个重要发现 ,它是指在一维平面应变冲击压缩下 ,在玻璃等脆性材料中由冲击波引起的一种独特的失效或破坏现象。较为系统地回顾近年来对失效波的研究工作 ,评述了研究现状、最新结果、发展趋势、研究方法和实验手段 ,对尚存的问题进行了分析讨论 ,并介绍了玻璃材料的基本特性。最后简单汇报了作者在这方面的研究工作和取得的阶段性结果。     

A dissipation‐free numerical method to solve one‐dimensional hyperbolic flow equations

In this paper, a numerical method to capture the shock wave propagation in 1‐dimensional fluid flow problems with 0 numerical dissipation is presented. Instead of using a traditional discrete grid, the new numerical method is built on a range‐discrete grid, which is obtained by a direct subdivision of values around the shock area. The range discrete grid consists of 2 types: continuous points and shock points. Numerical solution is achieved by tracking characteristics and shocks for the movements of continuous and shock points, respectively. Shocks can be generated or eliminated when triggering entropy conditions in a marking step. The method is conservative and total variation diminishing. We apply this new method to several examples, including solving Burgers equation for aerodynamics, Buckley‐Leverett equation for fractional flow in porous media, and the classical traffic flow. The solutions were verified against analytical solutions under simple conditions. Comparisons with several other traditional methods showed that the new method achieves a higher accuracy in capturing the shock while using much less grid number. The new method can serve as a fast tool to assess the shock wave propagation in various flow problems with good accuracy.     

Shock waves for the hyperbolic balance laws with discontinuous sources

In this paper, we are concerned with the behavior of shock waves in a 2 × 2 balance law with discontinuous source terms. We obtain the existence of a local shock wave solution of this problem and deduce that the discontinuous source terms create a weak discontinuity in this solution. Copyright © 2013 John Wiley & Sons, Ltd.     

A simplified adaptive Cartesian grid system for solving the 2D shallow water equations

This paper presents a new simplified grid system that provides local refinement and dynamic adaptation for solving the 2D shallow water equations (SWEs). Local refinement is realized by simply specifying different subdivision levels to the cells on a background uniform coarse grid that covers the computational domain. On such a non‐uniform grid, the structured property of a regular Cartesian mesh is maintained and neighbor information is determined by simple algebraic relationships, i.e. data structure becomes unnecessary. Dynamic grid adaptation is achieved by changing the subdivision level of a background cell. Therefore, grid generation and adaptation is greatly simplified and straightforward to implement. The new adaptive grid‐based SWE solver is tested by applying it to simulate three idealized test cases and promising results are obtained. The new grid system offers a simplified alternative to the existing approaches for providing adaptive mesh refinement in computational fluid dynamics. Copyright © 2011 John Wiley & Sons, Ltd.     

Anisotropic sound and shock waves in dipolar Bose-Einstein condensate

We study the propagation of anisotropic sound and shock waves in dipolar Bose-Einstein condensate in three dimensions (3D) as well as in quasi-two (2D, disk shape) and quasi-one (1D, cigar shape) dimensions using the mean-field approach. In 3D, the propagation of sound and shock waves are distinct in directions parallel and perpendicular to dipole axis with the appearance of instability above a critical value corresponding to attraction. Similar instability appears in 1D and not in 2D. The numerical anisotropic Mach angle agrees with theoretical prediction. The numerical sound velocity in all cases agrees with that calculated from Bogoliubov theory. A movie of the anisotropic wave propagation in a dipolar condensate is made available as supplementary material.     

CH4/空气简化动力学机理数值验证

选择绕圆柱预混燃烧算例，验证CH₄/空气三种简化动力学机理（16s41r、15s19r和53s325r）.考虑均匀来流，忽略湍流和湍流与燃烧相互作用以及燃料扩散效应，假设层流有限反应速率，采用保自由流5阶WENO格式求解多组分Euler方程组，得到CH₄/空气预混燃烧流场温度等值线、沿驻点线压力和温度及其CH₄、CO和CO₂质量百分数分布.结果表明：三种简化动力学机理给出的流场均出现弓形激波和火焰面，弓形激波和火焰驻点距离及其形状、诱导区宽度和简化动力学机理相关.当圆柱直径增大，弓形激波和火焰向圆柱上游移动，对应的驻点距离均增大，诱导区宽度变短，点火延时变小，但火焰和弓形激波位置次序未变化.53s325r模型要比16s41r模型和15s19r模型精度要高，点火延时覆盖的压力和温度范围也较宽，所有简化机理均未完全反应，在较大圆柱直径下游达到化学平衡.     

Improvement of multistep WENO scheme and its extension to higher orders of accuracy

This paper presents an efficient procedure for overcoming the deficiency of weighted essentially non‐oscillatory schemes near discontinuities. Through a thorough incorporation of smoothness indicators into the weights definition, up to ninth‐order accurate multistep methods are devised, providing weighted essentially non‐oscillatory schemes with enhanced order of convergence at transition points from smooth regions to a discontinuity, while maintaining stability and the essentially non‐oscillatory behavior. We also provide a detailed analysis of the resolution power and show that the solution enhancements of the new method at smooth regions come from their ability to render smoothness indicators closer to uniformity. The new scheme exhibits similar fidelity as other multistep schemes; however, with superior characteristics in terms of robustness and efficiency, as no logical statements or mapping function is needed. Extensions to higher orders of accuracy present no extra complexity. Numerical solutions of linear advection problems and nonlinear hyperbolic conservation laws are used to demonstrate the scheme's improved behavior for shock‐capturing problems. Copyright © 2016 John Wiley & Sons, Ltd.     

Direct and adjoint global stability analysis of turbulent transonic flows over a NACA0012 profile

In this work, various turbulent solutions of the two‐dimensional (2D) and three‐dimensional compressible Reynolds averaged Navier–Stokes equations are analyzed using global stability theory. This analysis is motivated by the onset of flow unsteadiness (Hopf bifurcation) for transonic buffet conditions where moderately high Reynolds numbers and compressible effects must be considered. The buffet phenomenon involves a complex interaction between the separated flow and a shock wave. The efficient numerical methodology presented in this paper predicts the critical parameters, namely, the angle of attack and Mach and Reynolds numbers beyond which the onset of flow unsteadiness appears. The geometry, a NACA0012 profile, and flow parameters selected reproduce situations of practical interest for aeronautical applications. The numerical computation is performed in three steps. First, a steady baseflow solution is obtained; second, the Jacobian matrix for the RANS equations based on a finite volume discretization is computed; and finally, the generalized eigenvalue problem is derived when the baseflow is linearly perturbed. The methodology is validated predicting the 2D Hopf bifurcation for a circular cylinder under laminar flow condition. This benchmark shows good agreement with the previous published computations and experimental data. In the transonic buffet case, the baseflow is computed using the Spalart–Allmaras turbulence model and represents a mean flow where the high frequency content and length scales of the order of the shear‐layer thickness have been averaged. The lower frequency content is assumed to be decoupled from the high frequencies, thus allowing a stability analysis to be performed on the low frequency range. In addition, results of the corresponding adjoint problem and the sensitivity map are provided for the first time for the buffet problem. Finally, an extruded three‐dimensional geometry of the NACA0012 airfoil, where all velocity components are considered, was also analyzed as a Triglobal stability case, and the outcoming results were compared to the previous 2D limited model, confirming that the buffet onset is well detected. Copyright © 2014 John Wiley & Sons, Ltd.