RuH2和RuN2电子组态与光谱性质的从头计算

用量子化学从头算方法在B3LYP/6 311G 的水平上 ,研究了RuH2 和RuN2 可能的电子组态和光谱性质 .结果表明 ,RuH2 的3 B2 和5Σ-态对应于静电作用的物理吸附态 .RuN2 的一重态和三重态的计算结果跟钌单晶面上的实验值相接近 .而RuN2 在C∞v对称性时 ,五重态5Σ-的计算频率比实验值稍低 .在C2v对称性时 ,五重态的计算频率值则更低 ,3 B2 和5A1态不能稳定存在     

多壁碳纳米管膜湿敏特性的研究

研究了多壁碳纳米管(MWNTs)薄膜的湿敏特性，实验所用的多壁碳纳米管是用热灯丝化学气相沉积法(CVD)合成的.分别对未修饰和修饰的多壁碳纳米管膜温度和湿度特性进行研究后发现，修饰的多壁碳纳米管对温度和湿度非常敏感，且对湿度的响应时间和恢复时间短，重复性好.而未修饰的多壁碳纳米管对温度和湿度不太敏感.对修饰多壁碳纳米管的湿敏特性进行了理论分析，给出了其理论表示式. 关键词： 多壁碳纳米管 化学修饰 湿敏特性 物理吸附     

ASYMPTOTIC BEHAVIOR OF SOLUTIONS OF NONLINEAR DELAY DIFFERENTIAL EQUATIONS

Sufficient conditions are established for the asymptotic behavior of solutionsof nonlinear delay differential equations x′(t)+sum from i=1 to m(pi(t)x(t-т_i))=F(t,x_t),t≥0where 0<т_1<т_2<…<т_m≤r,pi∈C([0,∞)),i=1,2,…,m,F∈C([0,∞)×C_0,R).C_0=C([-r,0],R)equipped with the sup norm ||·|| forsome r>0. A new result is established, some known results are improved.     

中国邮路问题的0-1规划解法

在用“奇偶点图上作业法”求解“中国邮路问题”时,需检查图中的每一个回路.当图中回路较多时,检查不便且易出错.针对此,本文建立了求解“中国邮路问题”的0-1规划模型,并给出了算例。     

Security Analysis of Discrete Logarithm Based Cryptosystems

0 IntroductionNowthere are many well known cryptosystems based ondiscrete logarithms , such as the ElGamal cryptosys-tem[1]and the digital signature algorithm(DSA)[2]. Discretelogarithms have many advantages . Breaking the discrete log-arithm modulo pri mepappears to be somewhat harder thanfactoringintegern,and elliptic curve cryptosystems may usemuchsmaller keysizesthan RSA-basedcryptosystems of com-parable security.The discrete logarithmproblemover a group can be bro-ken down into a numb…     

Optimal design of a convergent-barrel cold spray nozzle by numerical method

A convergent-barrel (CB) cold spray nozzle was designed through numerical simulation. It was found that the main factors influencing significantly particle velocity and temperature include the length and diameter of the barrel section, the nature of the accelerating gas and its pressure and temperature, and the particle size. Particles can achieve a relatively low velocity but a high temperature under the same gas pressure using a CB nozzle compared to a convergent-divergent (CD) nozzle. The experiment results with Cu powder using the designed CB nozzle confirmed that particle deposition can be realized under a lower gas pressure with a CB nozzle.     

Isothermal crystallization kinetics of poly(3‐hydroxybutyrate)/layered double hydroxide nanocomposites

Poly(3‐hydroxybutyrate) (PHB)/layered double hydroxides (LDHs) nanocomposites were prepared by mixing PHB and poly(ethylene glycol) phosphonates (PEOPAs)‐modified LDH (PMLDH) in chloroform solution. Both X‐ray diffraction data and TEM micrographs of PHB/PMLDH nanocomposites indicate that the PMLDHs are randomly dispersed and exfoliated into the PHB matrix. In this study, the effect of PMLDH on the isothermal crystallization behavior of PHB was investigated using a differential scanning calorimeter (DSC) and polarized optical microscopy. Isothermal crystallization results of PHB/PMLDH nanocomposites show that the addition of 2 wt % PMLDH into PHB induced more heterogeneous nucleation in the crystallization significantly increasing the crystallization rate and reducing their activation energy. By adding more PMLDH into the PHB probably causes more steric hindrance of the diffusion of PHB, reducing the transportation ability of polymer chains during crystallization, thus increasing the activation energy. The correlation among crystallization kinetics, melting behavior and crystalline structure of PHB/PMLDH nanocomposites can also be discussed. © 2006 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 44: 3337–3347, 2006     

Resource Search in Unstructured Peer-to-Peer System Based on Multiple-Tree Overlay Structure

We propose a multiple-tree overlay structure for resource discovery in unstructured P2P systems. Peers that have similar interests or hold similar type of resources will be grouped into a tree-like cluster. We exploit the heterogeneity of peers in each cluster by connecting peers with more capacities closer to the root of the tree. The capacity of a peer can be defined in different ways （e.g. higher network bandwidth, larger disk space, more data items of a certain type etc.） according to different needs of users or applications.     

Proton-exchanged optical waveguides fabricated by glutaric acid

In this paper, we first report that a new proton source, glutaric acid, has been used to fabricate optical waveguides in Z-cut lithium niobate crystals. The relationship was experimentally established between proton-exchanged (PE) waveguide parameters and fabrication conditions. It is shown that this new organic acid can be used to obtain deep PE waveguides in fast diffusion speed (0.275 μm²/h at 221°C) and with low loss (0.2 dB/cm). It provides an alternative approach for fabricating PE waveguides in lithium niobate substrate.     

Synthesis and Raman analysis of 1D-ZnO nanostructure via vapor phase growth

1D-nanostructural zinc oxide (ZnO) with different shapes have been synthesized on p-type Si(1 0 0) and glass substrates via vapor phase growth by heating pure zinc powder at temperatures between 480 and 570 °C. The different ZnO nanostructures depend on the substrates and the growth temperatures. Scanning electron microscopy and X-ray diffraction revealed that a well-aligned nanowires array, which are vertical to the substrate of Si(1 0 0) with 18 sides on their heads, but six sides on their stems, has been formed at 480 °C. Raman study on the ZnO nanostructures shows that the coupling strength between electron and phonon determined by the ratio of the second- to the first-order Raman scattering cross-sections declines with decreasing diameter of the nanowires. However, a little changes of the coupling strength in terms of the width of the nanobelts have been observed.