Correlations between dynamical properties and features of potential energy surfaces for the light atom transfer reactions O+HCl→OH+Cl AND Cl+HCl→ClH+Cl

A three-dimensional quasiclassical trajectory study of the dynamics of the light atom transfer reaction O(³P) + HCl(ν=0)→ OH + Cl was carried out employing two LEPS potential energy surfaces (I and II). Attention was focused mainly on three-dynamical properties; the oscillatory behavior of partial cross sections as a function of collision energy; the rotational excitation of the products; and the influence of reagent rotation on reactivity. Distinct differences were found between surfaces I and II with respect to these properties. The examination of individual trajectories indicated that there is a significant difference in the nature of these surfaces. While surface I is governed by weak repulsive forces, surface II is governed by strong attractive forces which tend to direct the reactants toward a collinear geometry. The present results confirm conclusions reached from an earlier study of the reaction Cl+HCl→ClH+Cl concerning correlations between dynamical properties and features of potential energy surfaces. For surfaces of the type that we termed HREP, since they are of repulsive nature and they lead to highly rotationally excited products, no significant oscillations of partial cross sections are obtained and reagent rotation promotes the reaction. On the other hand, for surfaces of the type that we termed COLD (collinearly directing), since they tend to direct the reactants toward a collinear geometry and form rotationally “cold” products, significant oscillations of partial cross sections are obtained and reagent rotation causes a decline in reactivity.     

SiOx纳米管的制备及其发光特性

以液态金属镓为媒介,利用热蒸发法合成大量非晶SiOx纳米管,这些纳米管管径均匀分布,平均约80 nm,长度大于10μm,且管内外径比例较小．分析发现,在实验过程中,熔入金属镓液滴中的硅元素和氧元素结合并从液滴的表面饱和析出,形成以镓为中心的非晶SiOx纳米管状结构．在室温中,利用260 nm的激发光源激发SiOx纳米管,发现在蓝光波段附近发出强而稳定的PL谱线,这可能与样品中的氧缺陷和空位有关．     

空气/水界面水分子的取向和运动

对四种不同的实验构型下空气／水界面自由O-H键在3700cm~(-1)的和频振动光谱的分析表明,水分子在空气／水界面的取向运动只可能是在平衡位置附近有限角度之内的受限转动。界面水分子的自由O-H键取向距界面法线约33°,而取向分布或运动的宽度不超过15°。这一图像显著地不同于Wei等人(Phys. Rev. Lett.86,4799(2001))只通过单一的SFG实验构型所得出结论,即：空气／水界面的水分子在超快的振动弛豫时间内在很大的角度范围内运动。     

非傍轴平顶高斯光束M2因子两种定义的比较研究

基于功率密度的二阶矩方法，推导出了非傍轴平顶高斯(FG)光束束宽和远场发散角的解析表达式.研究表明，当w0/λ→0时，远场发散角趋于渐近值θmax=63.435°，与阶数无关.使用非傍轴高斯光束代替傍轴高斯光束作为理想光束，研究了非傍轴FG光束的M2因子，并与传统定义的M2因子作了比较.在非傍轴范畴，非傍轴FG光束的M2因子不仅与阶数N有关，而且与w0/λ有关.按照定义，当w0/λ→0时，非傍轴FG光束的M2因子不等于0，对阶数N=1, 2, 3时，M2因子分别趋于0.913,0.882和0.886.当N→∞时，M2因子取最小值M2min=0.816.     

一种可能的简并谱NNS分布

利用随机矩阵理论,通过对一特殊情形的简并谱展开研究,得到了简并谱一种可能的最小相邻间距NNS分布函数．研究表明,由于简并的存在,简并谱不仅可分解成随机谱和规则谱两个子谱,同时还影响其规则谱,使规则谱的能级斥力减少．     

ON THE UNIQUENESS OF THE WEAK SOLUTIONS OF A QUASILINEAR HYPERBOLIC SYSTEM WITH A SINGULAR SOURCE TERM

This paper is a continuation of the authors'previous paper[1].In this paper the authorsprove,assuming additional conditions on the initial data,some results about the existence anduniqueness of the entropy weak solutions of the Cauchy problem for the singular hyperbolicsystem a_t+(au)_x_2au/x=0,u_t+1/2(a~2+u~2)_x=0,x>0,t≥0.     

Interface-related effects on confined excitons in GaAs/AlxGa1−xAs single quantum wells

Confined excitons in non-abrupt GaAs/Al_xGa_1−xAs single quantum wells are studied. The graded interfaces are described taking into account fluctuations in their thickness a and positioning with respect to the abrupt interface picture. Numerical results for confined (0,0),(1,1) and (0,2) excitons in GaAs/Al_0.3Ga_0.7As quantum wells show that while the interfacial fluctuations produce small changes (<0.5 meV) in the exciton binding energies, the confined exciton energies can be red- or blue-shifted as much as 25 meV for wells with mean width of 50 Å and 2 ML wide interfaces.     

As+注入硅的紫外-可见椭圆偏振光谱

本文采用椭圆偏振光谱法研究了剂量为1×10¹⁶—3×10¹²cm^-2的As⁺注入硅,及其在700℃退火后的光学性质。得出:当As⁺注入剂量增大到某一程度后,便呈非晶特性。低于临界剂量的样品,其n-λ,ε₂-λ关系曲线随剂量的增大而往下方移动,呈有规律变化;退火后,在大于4000?波段,n-λ与ε₂-λ曲线基本恢复到单晶硅状态。但在小于4000?的紫外区却未完全恢复,注入剂量越大,偏离单晶硅就越大。并指出,紫外光区是离子注入硅的信息敏感区;用有效质量模型计算出注入剂量与损伤度的关系。计算结果与实验符合得较好。 关键词：     

弱(L_1,L_2)-BLD映射的正则性

本文首先将文［１］中的ＢＬＤ映射推广为弱（Ｌ１，Ｌ２）－ＢＬＤ映射，并证明了如下正则性结果：存在两个可积指数 Ｐ１＝Ｐ１（ｎ，Ｌ１，Ｌ２）＜ｎ＜ｑ１＝ｑ１（ｎ，Ｌ１，Ｌ２），使得对任意弱（Ｌ１，Ｌ２）－ＢＬＤ映射ｆ∈（Ω，Ｒｎ），都有ｆ∈（Ω，Ｒｎ），即ｆ为（Ｌ１，Ｌ２）－ＢＬＤ映射．     

一类无穷下三角矩阵的代数性质

修正了 [4,5]中的 Jabotinsky矩阵,得到并证明了一类无穷下三角矩阵T（f）的一些性质,最后,导出了一些与导数相关的反演关系和组合恒等式.