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81.
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. 相似文献
82.
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. 相似文献
83.
84.
85.
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. 相似文献
86.
87.
Xiao-bin Liao Yu-fang Guo Jian-hua He Wei-jian Ou Dai-qi Ye 《Plasma Chemistry and Plasma Processing》2010,30(6):841-853
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. 相似文献
88.
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. 相似文献
89.
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 相似文献
90.
The analytical expression for the beam propagation factor (M2-factor) of a radial Gaussian-Schell model (GSM) beam array propagating in non-Kolmogorov turbulence is derived. The influences of beam number, ring radius and generalized exponent on the M2-factor are investigated. The results indicate that the M2-factor has great dependence on the generalized exponent and the beam number. Moreover, there is an optimum ring radius, which leads to a minimum M2-factor and increases with increase in beam number. Further, the M2-factor for the superposition of the intensity is larger than that for the superposition of the cross-spectral density function (CSDF). However, the M2-factor for the superposition of the intensity is less sensitive to the turbulence than that for the superposition of the CSDF. 相似文献