M/G/1非空竭服务休假排队系统随机分解的简化算法

本文根据M／G／1非空竭服务休假排队系统稳态队长随机分解的结构特征提出一种统一算法，该方法简洁高效，避免了再生循环方法繁杂的运算。运用该方法得出的结果与已知的用再生循环方法得出的结论一致。并且修正了Levy(1989)关于Bernoulli闸门服务休假排队系统随机分解的一个错误。     

Eu- and Yb-induced reconstructions on a vicinal Si(1 0 0) surface

Early stages of rare-earth metal (Yb and Eu) growth on a vicinal, single-domain Si(1 0 0)2 × 1 surface have been studied in the coverage range of 0.1-0.3 monolayer (ML) by low energy electron diffraction, scanning tunneling microscopy, and synchrotron radiation photoemission spectroscopy. We show that Yb induces the 2 × 3 periodicity in the whole range of coverage studied. The 2 × 3 reconstruction coexists with the local 3 × 2/4 × 2 structure at about 0.2 ML of Yb. In contrast, Eu forms the 3 × 2 periodicity at 0.1-0.2 ML, whereas this structure is converted into the 2 × 3 phase at about 0.3 ML. The atomic arrangement and electronic properties of these reconstructions and the adsorbate-mediated modification of surface morphology are investigated.     

Calculation of Normal Vibrations of Chlorin by the Method of Density Functionals

Using the DFT/B3LYP method with a 6-31G(d) basis set, the structure, normal vibration frequencies, and the absolute band intensities in the IR spectra of the chlorin molecule and its four symmetric isotopomers have been calculated. Scaling of the force field by the Pulay method in independent and natural coordinates has been carried out. A method for obtaining effective force fields without using experimental data on the fundamental vibration frequencies is proposed. By comparing the vibration modes and constructing special matrices, complete assignment of the fundamental frequencies of porphin and chlorin has been carried out. It has been shown that the majority of porphin macroring vibrations upon pyrrolenine ring hydrogenation are frequency-characteristic and only 12 vibrations change considerably. A frequency correlation with regard for the mode transition between chlorin and all its isotopomers under consideration has been established. Comparative analysis of the force fields of porphin and chlorin in dependent natural coordinates has revealed the unique nonlocal character of the change in force constants of the macroring upon hydrogenation of one pyrrolenine ring. Modeling of the IR spectra of chlorin and its isotopomers has been performed. Assignment and interpretation of the normal vibrations of the molecules under consideration have been carried out.     

New poly(butylene succinate)/layered silicate nanocomposites. II. Effect of organically modified layered silicates on structure,properties, melt rheology,and biodegradability

A series of new poly(butylene succinate) (PBS)/layered silicate nanocomposites were prepared successfully by simple melt extrusion of PBS and organically modified layered silicates (OMLS). Three different types of OMLS were used for the preparation of nanocomposites: two functionalized ammonium salts modified montmorillonite and a phosphonium salt modified saponite. The structure of the nanocomposites in the nanometer scale was characterized with wide-angle X-ray diffraction and transmission electron microscopic observations. With three different types of layered silicates modified with three different types of surfactants, the effect of OMLS in nanocomposites was investigated by focusing on four major aspects: structural analysis, materials properties, melt rheological behavior, and biodegradability. Interestingly, all these nanocomposites exhibited concurrent improvements of material properties when compared with pure PBS. © 2003 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 41: 3160–3172, 2003     

Crystallographic report: Bis(isonicotinonitrile)cadmium diselencyanate, [Cd(SeCN)2(pyCN)2] (pyCN = isonicotinonitrile)

The title compound, [Cd(SeCN)₂(pyCN)₂]_∞, adopts an extended one‐dimensional chain structure in which the neighboring cadmium atoms are bridged by two selenocyanate ions. The central cadmium atom has a distorted octahedral geometry defined by two isonicotinonitrile and four selenocyanate ions in a 4N2Se fashion. Copyright © 2003 John Wiley & Sons, Ltd.     

The structure of CeAlO3 by Rietveld refinement of X-ray powder diffraction data

The room temperature structure of perovskite CeAlO₃ has been reinvestigated by X-ray powder diffraction. The Rietveld refinement has confirmed the tetragonal symmetry; but revealed a super cell, a=5.32489(6) Å and c=7.58976(10) Å, with the space group I4/mcm. In CeAlO₃, the distortion from the ideal cubic perovskite is caused by the cooperative tilting of the AlO₆ octahedra around the primitive cubic [001]_p-axis.     

Crystallographic report: Diiodo[tris(2‐pyridyl)amine]mercury(II), [(C5H4N)3N]HgI2

In mononuclear HgI₂[(C₅H₄N)₃N], mercury is tetrahedrally coordinated by two nitrogen atoms of a tris(2‐pyridyl)amine ligand and two iodides. The coordination moieties are connected by weak intermolecular Hg(II)···I interactions to give a one‐dimensional structure. Copyright © 2003 John Wiley & Sons, Ltd.     

CNx纳米管的制备、结构观察及低场致电子发射性能研究

采用高温热解法，以乙二胺为前驱液，在沉积有铁催化剂的p型硅（111）基底上制备出了定向生长的CNx纳米管.利用扫描电子显微镜、高分辨率透射电子显微镜和拉曼光谱对CNx纳米管进行了形貌观察和表征.CNx纳米管的高度在20?μm左右，直径在50—100nm之间，具有明显的“竹节状”结构，结晶有序度较差.对CNx纳米管薄膜进行低场致发射性能测试：外加电场为1.4V/μm，观察到20?μA /cm2发射电流，外电场升至2.54V/μm时发射电流达到1.280mA/cm2，在较高外电场下，没有发现电流“饱和”.这比 关键词： CNx纳米管 高温热解 “竹节状”结构 场致发射     

Structure and Structural Nonrigidity of Tetrachlorodibenzo-p-Dioxin Radical Cations

Ab initio calculations showed that the tetrachlorodibenzo-para-dioxin radical cations (TCDD RCs) with a planar structure have two steady states with asymmetric dioxin cycles. The activation barriers between these states are up to 2 kcal/mole, so that the RCs may be regarded as being structurally nonrigid within the dioxin cycle. The 2,3,7,8-TCDD RC is more stable than the 1,4,6,9-TCDD RC, the energy difference being 5.2 kcal/mole. The adiabatic ionization potential of 2,3,7,8-TCDD (7.54 eV) is 0.1 eV smaller than the corresponding potential of 1,4,6,9-TCDD. These factors account for the increased hemoproteide affinity and hence increased biological activity of 2,3,7,8-TCDD.     

Synthesis and Crystal Structure of the Hydrogen Polyphosphide Bis(Tetraphenylphosphonium) hydrogenheptaphosphide‐ammonia(1/3) (PPh4)2HP7 · 3NH3

(PPh₄)₂HP₇ · 3NH₃ was prepared by the reaction of K₃P₇ with a proton‐charged ion exchange resin in the presence of (PPh₄)Br in liquid ammonia, and characterized by low temperature X‐ray structure analysis. The thermally very unstable compound contains the hydrogenheptaphosphide anion HPequation/tex2gif-stack-1.gif, the nortricyclane‐like cage of which is slightly distorted by the attachment of the hydrogen atom.