新一代X射线激光器可用于观察分子构造

英国《新科学家》杂志日前刊载文章称，新一代X射线激光器能用于研究蛋白质和其他生物分子的构造和行为。新一代X射线激光器的能量将是现有设备的100亿倍，能使科学家观察到最微小最精妙的分子构造。利用这种技术可以破解复杂的蛋白质和完整的病毒结构，甚至可能获得DNA的三维图像。X射线激光器被称作自由电子激光器。与传统激光器不同，自由电子激光器并不是通过光照或电流刺激某种物质发射光子，而是使用粒子加速器让极小的电子云穿过磁铁组，这些磁铁把电子推来推去，直到电子释放出光脉冲。传统激光器的激光波长是由发射光子的物质本…     

左消半群M与幂单半群B的Schǔzenberger积

本文讨论了每个元都有幂等元作为右单位元的左消半群与幂单半群N的Schuzenberger积M◇N的ρ类，证明了这种半群M与N的Schuzenberger积M◇N的ρ类是右E一半适合半群和弱E-headged半群．     

Dissociative Chemisorption of an H2（v,j） Molecule on Rigid Ni （100） Surface： Dependence on Surface Topologies and Initial Rovibrational States of the Molecules

The H2(v,j) Ni(100) collision system has been studied to understand the effects of the surface sites and initial rovibrational states of the molecule on molecule-surface interactions, by a quasiclassical molecular dynamic simulation method. Dissociative adsorption of an H2 molecule on the rigid Ni(100) surface is investigated at topologically different three sites of the surface. Interaction between the molecule and Ni surface was described by a London-Eyring-Polani-Sato (LEPS) potential. Dissociative chemisorption probabilities of the H2(v, j) molecule on various sites of the surface are presented as a function of the translation energies between 0.001-1.0eV. The probabilities obtained at each collision site have unique behaviour. At lower collision energies, indirect processes enhance the reactivity, effects of the rotational excitations and impact sites on the reactivity are more pronounced. The results are compared with the available studies. The physical mechanisms underlying the results and quantum effects are discussed.     

分子和金表面相互作用的第一性原理研究

从第一性原理出发利用密度泛函理论研究了 4 ,4′ 二巯基联苯分子和金表面的相互作用 ,并利用了前线轨道理论和微扰理论定量地确定了该相互作用能常数. By using density functional theory, we have investigated the interaction between a thiol-phenyl molecule (4-4′-dimercaptodibenzene) and a gold surface. The frontier orbit theory and the perturbation theory are also employed to determine quantitatively the constant of interaction energy. The results show that the bonding between the sulfur atom and the gold atoms corresponds mainly to the covalent bond and some molecular orbits are extended over the molecule and gold cluster which certainly give channels...     

Si1－xGex/Si量子阱发光材料的分子束外延生长及其结构研究

采用固源Si分子束外延,在较高的生长温度于Si(100)衬底上制备出Si1－xGex/Si量子阱发光材料。发光样品的质量和特性通过卢瑟福背散射、X射线双晶衍射及光致发光评估。背散射实验中观察到应变超晶格的反常沟道效应;X射线分析表明材料的生长是共度的、无应力释放的,结晶完整性好。低温光致发光主要是外延合金量子阱中带边激子的无声发射和横光学声子参与的激子复合。并讨论了生长温度对量于阱发光的影响。     

Optical and Acoustical Frequencies in a Nonlinear Helicoidal Model of DNA Molecules

We compare optical and acoustical frequencies in the Peyrard-Bishop-Dauxois model, i.e. an extended Peyrard-Bishop model, of DNA molecules. We discuss how ratio of those frequencies depends on a value of the harmonic constant of the helicoidal spring K. Also, we suggest that the most favourable mode could be a resonance mode.     

带有单模糊映射的一般变分不等式解的存在性

众所周知，在各种变分不等式问题中，解的存在性是最基础也是最重要的问题之一．本文的目的是在Hilbert空间中研究带有单模糊映射的一般变分不等式解的存在性．此外，还讨论了几种特殊情况．     

纳米PIC-I分子聚集体的超辐射和Z-扫描研究

分子聚集体在非线性光学和集成光学等领域有潜在的应用前景。纳米结构一维染料分子J—聚集体有许多既不同于单个分子又不同于体材料的奇异性质，即超辐射和巨光学非线性。这种超辐射是由于在几个本征态内振于强度结合在一起，得到一巨跃迁偶极于，因而是超辐射的。跃迁速率与耦合分子个数N成正比。分子聚集体的J—吸收和超辐射发射是共振的。利用Z—扫描技术测量PIC在不同配比下的非线性折射率、非线性吸收系数和非线性极化率。观测到随着链长变短，样品的三阶非线性极化率增大。对这种非线性增强的机制进行了分析和讨论。