Novel halogenated cyclopentasilylene-2,4-dienes via DFT

In view of immense importance of silylenes and the fact that their properties undergo significant changes on substitution with halogens, here, we have used B3LYP/6-311++G** level of theory to access the effects of 1–4 halogens (X = F, Cl, Br, and I) on four unprecedented sets of cyclopentasilylene-2,4-dienes; with the following formulas: SiC₄H₃X ( 1 _X ), SiC₄H₂X₂ ( 2 _X ), SiC₄HX₃ ( 3 _X ), and SiC₄X₄ ( 4 _X ). In going down from F to I, the singlet (s)-triplet (t) energy gap (ΔE_s-t, a possible indication of stability), and band gap (ΔE_H-L) decrease while nucleophilicity (N), chemical potential (μ), and proton affinity (PA) increase. The overall order of N, μ, and PA for each X is 2 _X > 1 _X > 3 _X > 4 _X . Precedence of 2 _X over 1 _X is attributed to the symmetric cross conjugation in the former. The highest and lowest N are shown by 2 _I and 4 _F . The trend of divalent angle () for each X is 4 _X > 1 _X > 3 _X > 2 _X . The results show that in going from electron withdrawing groups (EWGs) to electron donating groups (EDGs), the ΔE_s-t and ΔE_H-L decrease while N, μ, and PA increase. Also, rather high N of our scrutinized silylenes may suggest new promising ligands in organometallic chemistry.     

介质折射率对一维三元光子晶体带隙的影响

利用光学传输矩阵法,数值模拟了一维二元、三元光子晶体的带隙结构,得出:三元光子晶体的主带隙略宽于二元光子晶体的主带隙;三元光子晶体的主带隙主要取决于最高折射率的介质和最低折射率的介质,而与居于两者之间的介质关系不大,并作出了相应的关系曲线。最后推导了三元光子晶体的色散关系。     

极化子导电到能带导电的转变

采用交流法测量大功率商用钛酸钡(BT)陶瓷加热器的电阻和加热功率随温度的变化关系.结果显示,BT陶瓷的电导特性在80℃附近出现了明显的转变,从低温时的极化子跳跃导电转变为高温时的能带导电,此时,电阻出现极小值,而加热功率出现极大值.     

Photonic crystal beam splitters

In this work, the beam splitter with two input ports and two output ports in two-dimensional photonic crystals is studied through the finite-difference time-domain method. The beam splitter consists of two orthogonally cross line defects. The diameter of the two diagonal air holes at the intersection of the two line defects was modified. The input light can be identically divided into the two output ports. The beam splitters can be applied in the photonic crystal Mach-Zehnder interferometers or photonic crystal optical switches.     

The mapping properties of the radiosity operator along an edge

In this article we study the radiosity operator along an edge between two adjacent half‐planes. First we show that the radiosity operator is invertible in a whole scale of anisotropic Sobolev spaces. In the absence of any shadows we are able to derive regularity properties of the solution, which depend only on the angle between the half‐planes, the reflectivity coefficients and the right‐hand side. This work can be considered as a supplement to the article of Rathsfeld (Mathematical Methods in the Applied Sciences 1999; 22 : 217–241). Copyright © 2002 John Wiley & Sons, Ltd.     

Rank-perfect and" weakly rank-perfect graphs

An edge e of a perfect graph G is critical if G−e is imperfect. We would like to decide whether G−e is still “almost perfect” or already “very imperfect”. Via relaxations of the stable set polytope of a graph, we define two superclasses of perfect graphs: rank-perfect and weakly rank-perfect graphs. Membership in those two classes indicates how far an imperfect graph is away from being perfect. We study the cases, when a critical edge is removed from the line graph of a bipartite graph or from the complement of such a graph.     

若干图类的邻强边染色

研究了若干图类的邻强边染色 .利用在图中添加辅助点和边的方法 ,构造性的证明了对于完全图 Kn和路 Lm 的笛卡尔积图 Kn× Lm,有χ′as(Kn× Lm) =△ (Kn× Lm) +1 ,其中△ (Kn× Lm)和χ′as(Kn× Lm)分别表示图 Kn× Lm的最大度和邻强边色数 .同理验证了 n阶完全图 Kn的广义图 K(n,m)满足邻强边染色猜想 .     

Orthogonal double covers by super‐extendable cycles

An Orthogonal Double Cover (ODC) of the complete graph K_n by an almost‐hamiltonian cycle is a decomposition of 2K_n into cycles of length n?1 such that the intersection of any two of them is exactly one edge. We introduce a new class of such decompositions. If n is a prime, the special structure of such a decomposition allows to expand it to an ODC of K_n+1 by an almost‐hamiltonian cycle. This yields the existence of an ODC of K_p+1 by an almost‐hamiltonian cycle for primes p of order 3 mod 4 and its eventual existence for arbitrary primes p. © 2002 Wiley Periodicals, Inc. J Combin Designs 10: 283–293, 2002; Published online in Wiley InterScience ( www.interscience.wiley.com ). DOI 10.1002/jcd.10011     

前缘弯掠斜流转子叶顶间隙流动特性数值分析

本文对前缘弯掠斜流转子叶顶间隙内的流动特性进行了数值分析。结果表明:叶顶间隙气流与主流发生卷吸而生成泄漏涡。泄漏涡作用的区域具有较低的压力分布。在叶片通道内,泄漏涡沿着与转子旋向相反的方向朝相邻叶片的压力面移动。大间隙时的泄漏涡比小间隙时强烈。低流量时泄漏涡的作用区域比高流量时大。在各种流量特性下,叶顶尾缘近吸力面区域都存在着二次间隙流。     

Imprint lithography of pyramidal photonic pillars using hydrazine etching

An inexpensive method to produce a pyramidal-type 2D photonic structures in the silicon substrate was proposed. The method is based on the combination of imprint lithography and wet Si1 0 0 etching in water solution of hydrazine, which etches 1 1 1 faces much more slowly than others. Thermally grown SiO₂ mask for the hydrazine etching was used, because single Al mask cannot be well bonded to the substrate and tends to peel during the etching. It was revealed that transmittance in the infrared spectrum region of the patterned silicon decreases by about five times compared with that of flat silicon substrate and this decrease is almost independent of the angle of the incident beam. In the infrared region, decrease of transmittance of the patterned samples is directly proportional to the wave number. The shape of formed pyramids has strong influence on the transmittance. Decrease of the transmittance is much more rapid and larger in the case of sharpless pillars.