氟代吡啶阳离子的理论研究

利用量子化学密度泛函理论B3LYP方法及 6 31G(d ,p)、6 311G(d ,p)、6 31+G(d ,p)和 6 311+G(d ,p)基组对五氟代吡啶、2 ,6 二氟代吡啶和 2 氟代吡啶分子的阳离子进行了计算研究 .B3LYP构型优化和频率分析计算结果表明这三种氟代吡啶阳离子的结构分别具有C2v、C2v和Cs 对称性 ,电子基态分别为2 A2 、2 A2 和2 A″ .对离子和分子的计算构型做了比较 .利用B3LYP方法和不同的基组对这三种阳离子及其分子进行了自然布居分析计算 .用B3LYP方法对这三种阳离子 (自由基 )中的超精细结构进行了计算 ,对五氟代吡啶、2 ,6 二氟代吡啶和2 氟代吡啶分子的垂直电离势和绝热电离势进行了计算 ,与实验值符合得很好     

自催化三分子模型内噪声随机共振

运用化学Langevin方程 ,数值研究了内噪声对单个和单向耦合自催化三分子模型动力学行为的影响 .研究发现 ,对于单个振子体系 ,内噪声可以诱导持续振荡 ,而且随着系统尺度的增大 ,信噪比经过一个极大值 ,从而证明了内噪声随机共振和最佳尺度效应的存在 ;对于单向耦合系统 ,信噪比还随耦合强度的变化而经过极大值 .此外 ,边界条件对耦合体系的内噪声随机共振行为有很大影响 ,非零流条件下 ,耦合可以增强内噪声随机共振 ,而零流条件下 ,耦合会抑制随机共振 ;当耦合强度适宜时 ,每个振子发生随机共振时的尺度几乎相同 ,表明最佳体系尺度和耦合强度有助于体系达到最佳的化学反应状态 .     

Fabrication of high growth rate solar-cell-quality μc-Si:H thin films by VHF-PECVD

Several series of Si:H films were fabricated by the very high frequency plasma enhanced chemical vapour deposition (VHF-PECVD) at different substrate temperatures (T_s) and silane concentration (SC=[SiH_4]/[SiH_4+H_2]%). The results of Raman spectroscopy showed structural evolution of the Si:H films with the variation of T_s and SC. The results of x-ray diffraction (XRD) measurements indicated that T_s also influences the crystal orientation of the Si:H films. The modulation effect of T_s on crystalline volume fraction (X_c) is more evident for the high SC, which shows different trend compared to low SC. In addition, the growth rate of the films also showed a regular change with the variation of SC and T_s. Different samples in the series showed a similar increase in dark conductivity and a decrease in photosensitivity with increasing T_s and decreasing SC. Device-quality microcrystalline silicon materials were deposited at a high growth rate, characterized by relatively low dark conductivity and relatively high photosensitivity in a certain crystalline range. The microcrystalline silicon solar cell with a conversion efficiency of 4.55% has been prepared by VHF-PECVD.     

A simple scheme for probehead background suppression in one-pulse 1H NMR

A very simple method for reducing probehead background signal in one-pulse 1H nuclear magnetic resonance (NMR) spectra is presented. Two one-pulse spectra are recorded, the first with pulse length tp1, the second with an L-times longer pulse, e.g. with L = 2. The second spectrum scaled by 1/L is subtracted from the first. Since the weak pulses experienced by spins outside the coil are in the linear regime, the background from outside the coil is effectively subtracted out. The background suppression efficiency is approximately 1.5b2, where b is the ratio of the B1 field inside the coil relative to that outside the coil. Experimentally, background suppression by at least a factor of 10 was achieved. Examples of background suppression in 1H wideline as well as 1H fast magic-angle spinning (MAS) one-pulse spectra of clay and polymer samples are shown.     

Measurements of branching fractions for B --> K pi and B --> pi pi decays

We report measurements of branching fractions for B --> K pi and B --> pi pi decays based on a data sample of 449 x 10(6) BB[over] pairs collected at the Upsilon(4S) resonance with the Belle detector at the KEKB asymmetric-energy e(+)e(-) collider. We also measure the ratios of partial widths for B-->Kpi decays, namely R(c) identical with 2Gamma(B(+) --> K(+) pi(0))/Gamma(B(+) --> K(0) pi(+)) = 1.08+/-0.06+/-0.08 and R(n) identical with Gamma(B(0) --> K(+) pi(-))/2 Gamma(B(0) --> K(0) pi(0)) = 1.08+/-0.08+/-0.08, where the first and the second errors are statistical and systematic, respectively. These ratios are sensitive to enhanced electroweak penguin contributions from new physics; the new measurements are, however, consistent with standard model expectations.     

Measurement of inclusive Ds, D0, and J/psi rates and determination of the Bs(*)Bs(*) production fraction in bb Events at the Upsilon(5S) resonance

The inclusive production of D(s), D(0), and J/psi mesons is studied using a 1.86 fb(-1) data sample collected on the Upsilon(5S) resonance with the Belle detector at the KEKB asymmetric-energy e(+)e(-) collider. The number of bb events in this Upsilon(5S) data sample is determined. We measure the branching fractions B(Upsilon(5S)-->D(s)X)/2=(23.6+/-1.2+/-3.6)%, B(Upsilon(5S)-->D(0)X)/2=(53.8+/-2.0+/-3.4)%, and B(Upsilon(5S)-->J/psiX)/2=(1.030+/-0.080+/-0.067)%. From the D(s) and D(0) inclusive branching fractions the ratio f(s)=(18.0+/-1.3+/-3.2)% of B(s)(*)B(s)(*) to the total bb quark pair production at the Upsilon(5S) energy is obtained in a model-dependent way.     

BRD96N光调制吸收增强现象的实验研究

通过光谱响应特性实验和记录／读出图像实验，研究了基因变异型细菌视紫红质（BR_D96N）分子膜对单色光的光调制特性.发现BR_D96N分子膜在550nm—600nm范围内对调制光有吸收增强的现象，且对此范围内不同波长的单色光其调制程度有差异.利用曲线拟和方法发现550nm—600nm吸收增强的变化过程分为快过程和慢过程，其对应的时间常数分别为30s和5min.利用强度调制器的吸收强度与图像灰度之间的关系，分析了560nm—600nm范围内出现图像反转的实验现象. 关键词： 细菌视紫红质D96N分子膜 光谱响应 吸收增强现象 图像反转现象     

多孔微结构光纤中飞秒激光脉冲超连续谱的产生

报道了利用800nm飞秒激光脉冲在多孔微结构光纤中产生超连续谱展宽的现象，连续谱展宽范围为440—890nm.基于标量波近似理论对微结构光纤包层的有效折射率和基模的有效面积以及光纤的色散特性进行了计算，发现微结构光纤具有特殊的控制色散和波导特性的能力，对超连续谱展宽的机理进行了初步解释.本文的理论分析和实验结果有较好的一致性，认为即使包层由无序填充气线组成的多孔微结构光纤也可以出现超连续谱展宽效应. 关键词： 多孔微结构光纤 超连续谱 有效折射率 色散     

基于Poincaré差值散点图的心率变异性分析方法研究

在心率变异性的非线性分析中, Poincaré散点图分析是一种重要手段.本文基于Poincaré差值散点图(modified Poincaré plot)提出了两个参数——区域分布熵和区域分布系数, 用于定量描述所考察区域内散点的分布趋势, 并提出对散点在4个象限中的分布进行分别计算.通过对MIT-BIH数据库中健康年轻人、健康老年人和充血性心力衰竭患者样本数据的分析, 发现两参数值均呈现显著的组间差异;同时, 不同象限的分析结果显示了四个象限具有不同的区分敏感性, 而其中尤以第一象限的区分度为最高, 反映出充血性心力衰竭患者相对健康人迷走神经调控功能的改变最为显著, 与以往的生理学研究结论相符.经验证, 该方法可用于短时数据, 更易于扩展至临床应用.     

Lamb wave band gaps in locally resonant phononic crystal strip waveguides

Using finite element method, we have made a theoretically study of the band structure of Lamb wave in a locally resonant phononic crystal strip waveguide with periodic soft rubber attached on the two sides of epoxy main plate. The numerical results show that the Lamb wave band gap based on local resonant mechanism can be opened up in the stub strip waveguides, and the width of the local resonant band gap is narrower than that based on the Bragg scattering mechanism. The results also show that the stub shape and width have influence on the frequency and width of the Lamb wave band gap.