光的偏振特性在机动车安全驾驶中的应用

根据光的偏振特性,利用偏振片制作机动车前大灯和偏振片眼镜,实践证明,可以提高机动车夜间行车的安全性.     

Adaptive Runge–Kutta discontinuous Galerkin method for complex geometry problems on Cartesian grid

A Cartesian grid method using immersed boundary technique to simulate the impact of body in fluid has become an important research topic in computational fluid dynamics because of its simplification, automation of grid generation, and accuracy of results. In the frame of Cartesian grid, one often uses finite volume method with second order accuracy or finite difference method. In this paper, an h‐adaptive Runge–Kutta discontinuous Galerkin (RKDG) method on Cartesian grid with ghost cell immersed boundary method for arbitrarily complex geometries is developed. A ghost cell immersed boundary treatment with the modification of normal velocity is presented. The method is validated versus well documented test problems involving both steady and unsteady compressible flows through complex bodies over a wide range of Mach numbers. The numerical results show that the present boundary treatment to some extent reduces the error of entropy and demonstrate the efficiency, robustness, and versatility of the proposed approach. Copyright © 2013 John Wiley & Sons, Ltd.     

Resonance problems for the p-Laplacian systems

Two existence theorems of the solutions are obtained for the p-Laplacian systems at resonance under a Landesman-Lazer-type condition by critical point theory.     

参数曲线的全局凸性判别条件

基于平面曲线的二次微商,导出了二重点的判别条件,结合参数曲线的局部凸性条件,得到了参数闭曲线的充要条件。给出了参数曲线的拐点判别条件,从而得到了参数曲线局部凸的充要条件。     

Progress in fluorene-based wide-bandgap steric semiconductors

Molecular bulks are favorable for the thermal and morphological stability in organic wide-bandgap semiconducting polymers with potential applications in both information and energy electronics. In this review, we present our progress in the design of fluorene-based bulky semiconductors with a fractal four-element pattern. Firstly, we established one-pot methods to spirofluorenes, especially spiro[fluorene-9,9′-xanthene](SFX) serving as the next-generation spiro-based semiconductors. Secondly, we observed the supramolecular forces at the bulky groups and discovered the supramolecular steric hindrance(SSH) effect on polymorphisms, nanocrystals as well as device performance. Thus, a synergistically molecular attractor-repulsor theory(SMART) was proposed for the control of nanocrystal morphology, thin film phase and morphology. Thirdly, the third possible type of defects has been identified to generate green band(g-band) emission in widebandgap semiconductors by the introduction of molecular strain design of cyclofluorene. Finally, the first bulky polydiarylfluorene with highly crystalline and β conformation was achieved by an attractor-repulsor design of tadpole-shape monomer, which offered an effective platform to fabricate stable wide-bandgap semiconducting devices. All the discoveries offer the solid basis to break through bottlenecks of organic/polymer wide-bandgap semiconductors by the improvements of overall performances.     

H_3PO_4/Zr(OH)_4高效促进NBS对取代烷基苯的亲电溴代

使用固体酸H3PO4/Zr(OH)4催化NBS对取代烷基苯进行苯环溴代反应.根据不同取代烷基苯的反应活性,在乙腈中,高产率(79%～96%)地得到了相应的苯环单溴代产物,同时反应体系中无苄位溴代的副产物生成.在反应过程中,固体酸催化剂可以重复使用多次.     

Hydroxyl Radicals Formation in Dielectric Barrier Discharge During Decomposition of Toluene

A method based on high performance liquid chromatography (HPLC), has been developed to measure hydroxyl radical (^·OH) in plasma reactors. The determination was performed indirectly by detecting the products of the reaction of ^·OH with salicylic acid (SAL). The applicability, and effect of time, specific input energy (SIE), relative humidity (RH), catalyst were investigated. It was found that 3 h was the optimal trapping time; concentration of ^·OH was (5.9–23.6) × 10¹³ radicals/cm³ at SIE range. The highest ^·OH yield and toluene removal efficiency (η) were achieved with a RH of 20%. With MnO _x , η was two times that without catalyst, while ^·OH yield in gas stream was one-sixth that without catalyst. However, if summed with ^·OH adsorbed on catalyst surface, the total ^·OH yield was the same as without catalyst. Experiments performed with/without toluene allowed to determine the role of ^·OH on decomposition of toluene in air plasma.     

Density functional theory investigation on the electronic structure of furo[3,4-b]pyridine-type heterocyclics: from monomer to polymer

The geometries and electronic properties of six polymers based on furo[3,4-b]pyridine-type heterocyclics were studied using density functional theory (DFT) at the B3LYP/6-31G(d) level. Bond lengths, bond critical point (BCP) properties, nucleus-independent chemical shift (NICS), and Wiberg bond indexes (WBIs) are analyzed and correlated with conduction properties. The changes of bond length, BCP properties, NICS, and WBIs all show that the conjugational degree is increased with main chain extension. The changes of NICS also show that the conjugation is stronger in the central section than in the outer section. And the HOMO–LUMO energy gap (E _g) is decreased steadily upon chain elongation. The results suggest that the six polymers all have lower energy gaps (in the range of 0.39–0.58 eV), which indicate that these proposed polymers are good candidates for the conductive materials.     

Prediction of membrane spanning segments and topology in β‐barrel membrane proteins at better accuracy

Prediction of membrane spanning segments in β‐barrel outer membrane proteins (OMP) and their topology is an important problem in structural and functional genomics. In this work, we propose a method based on radial basis networks for predicting the number of β‐strands in OMPs and identifying their membrane spanning segments. Our method showed a leave‐one‐out cross validation accuracy of 96% in a set of 28 OMPs, which have the range of 8–22 β‐strand segments. The β‐strand segments in OMPs and the residues in membrane spanning segments are correctly predicted with the accuracy of 96% and 87%, respectively. We have developed a web server, TMBETAPRED‐RBF for predicting the transmembrane β‐strands from amino acid sequence and it is available at http://rbf.bioinfo.tw/～sachen/tmrbf.html . We suggest that our method could be an effective tool for predicting the membrane spanning regions and topology of β‐barrel membrane proteins. © 2009 Wiley Periodicals, Inc. J Comput Chem 2010