Second Harmonic Generation in Bis Typed Organic Compounds

In systematic research on a series of new nonlinear organic materials, we found that Bis (4-nitrophenoxy) methane (BNPM) showed a large intensity of second harmonic light, which was 4.4 times as large as that of urea crystal by powder technique and easily crystallized from a solution. The crystal structure of BNPM, obtained by the X-ray diffraction method, was orthorhombic, space group P2₁2₁2 (point group 222), with unit-sell dimension a = 10.205 Å; b = 12.854 Å; c = 4.8822 Å. In addition, we found that the absorption edge of BNPM was 430 nm with a 0.9-mm-thick crystal, and we observed the second harmonic light with BNPM single crystal at the wavelength of 1064 nm and in the range from 906 nm to 990 nm.     

The adsorption of C6H5Cl on Si(111)7 × 7 studied by STM

The adsorption of chlorobenzene on Si(111)7 × 7 at room temperature was studied by scanning tunneling microscopy (STM). Selective chemisorption was observed at different adatom sites. It was found that the center adatoms were more reactive than the corner adatoms, and the faulted half of the unit cell was more reactive than the unfaulted. The mechanism is discussed in terms of the electronic and atomic structures in Si(111)7 × 7. Both preferences indicate that chlorobenzene was present initially in a mobile precursor state.     

Optimization of the heavy nuclei track etching in olivine crystals from meteorites

The investigation of the track etching velocity dependence for nuclei with Z50 on pH of the etching solution in the olivine crystals from Marjalahti and Eagle Station meteorites, containing galactic cosmic-ray nuclear tracks and also the crystals from Marjalahti meteorite, calibrated at the UNILAC (GSI, Darmstadt) with 14.17 MeV/N ²⁰⁸Pb nuclei, were performed.

The pH of the etching solution were changed from 7.8 to 9.4. It is shown that the optimal track etch condition were realised at pH of etching solution in the interval from 8.4 to 8.8.

The results of the Galactic cosmic-ray nuclei tracks with Z83 revealed in olivine crystals are presented. They were additionally irradiated at 90% to the surface with accelerated 14 MeV/N ¹³²Xe nuclei.     

Behavior of zirconium in the ZrOW(100) system at high temperature, studied by ISS, AES and work-function measurements

The behavior of zirconium atoms at the W(100) surface associated with oxygen adsorption at different sample temperatures has been studied by Auger electron spectroscopy (AES), ion scattering spectroscopy (ISS), and the relative change of the work function (Δф) measured by the onset of the secondary electron energy distribution. The results have revealed: (i) adsorption of zirconium onto the W(100) surface followed by the elevation of the sample temperature up to 1710 K in an oxygen partial pressure of 2.7 × 10⁻⁴ induces complete diffusion of zirconium atoms into the W(100) substrate; (ii) further exposure of oxygen induces co-existence of oxygen and tungsten on the surface at 1710 K, resulting in a work function of 4.37 eV; (iii) keeping the sample temperature at 1710 K, simple evacuation of the system has resulted in surface segregation of zirconium atoms to the surface to form a zirconium atomic layer on the top-most surface, reducing the work function to 2.7 eV. The results have revealed that this specific behavior of zirconium atoms at high temperature assures, with very good reproducibility, the highly stable performance and long service life of Zr---O/W(100)-emitters in practical use, even in a low vacuum of 10⁻⁶ Pa.     

ZnS与SiO_2材料的短脉冲激光热损伤特性比较

对SiO2和ZnS这两种常用的红外光学材料在红外短脉冲激光辐照下的热损伤特性进行了研究,分析了相同激光辐照条件下两种材料的热效应,另外也针对同种材料不同辐照条件下的热效应进行比较。分析结果表明:红外激光作用下,SiO2材料的表面温升快于ZnS材料,而在材料内部,则后者快于前者。脉冲辐照结束时SiO2材料的表面峰值温度高于ZnS材料,但ZnS材料产生温升的深度大于SiO2材料。由于能量更为集中,材料在皮秒激光作用下温升高于纳秒激光作用下的温升。若材料的峰值温度达到熔点,则激光的单脉冲能量随脉冲宽度的减小呈非线性减小趋势,且变化率越来越大。     

含乙酰胺基链苯并菲盘状液晶分子的电荷传输性质与热力学性质

在密度泛函理论B3LYP／6－31G**理论水平上,计算含乙酰胺基链苯并菲衍生物分子的电荷传输性质和热力学性质.研究结果显示,该分子的空穴传输性能明显好于电子传输性能.在298.15 K时,该分子的标准摩尔生成焓和生成自由能分别为－2338.79 kJ／mol和－1756.27 kJ／mol。     

应变液晶的负压光效应和反式压光效应

介绍聚合物分散液晶和应变液晶概念,给出聚合物分散液晶调光玻璃的"正压光效应"、"负压光效应"和"反式压光效应"三种效应定义.实验制备出负压光效应和反式压光效应新型应变调光玻璃样品,测试样品散射态雾度90%以上,半透明态透光率接近30%.用偏光显微术研究压光效应原理,表明对样品施加垂面按压或拉伸的应力诱导作用会引起液晶微滴中液晶分子具有某些特殊排列方式,导致样品光学性质发生显著变化.建立垂面拉伸液晶微滴模型,计算模拟所绘出的图形与偏光显微镜照片独特花样十分相似,进而合理解释了实验现象.应变液晶压光效应研究具有聚合物分散液晶基础研究意义和开发非电控调光玻璃的实际应用价值.     

Growth and characterization of organic nonlinear optical material: 5-Nitroindole (5NI) for optical applications

Single crystals of organic nonlinear optical material 5-Nitroindole (5NI) has been grown by slow cooling solution growth technique using methanol as a solvent. The grown crystal was subjected to single crystal X-ray diffraction technique to determine the lattice parameters. Fourier transform infrared spectrum (FTIR) was recorded to identify the presence of functional groups. The optical properties such as the optical band gap, extinction coefficient (k), refractive index (n) and optical conductivity (σ) were calculated. The optical band gap of 5NI is 2.33 eV. The melting point and thermal stability of the crystal was analyzed from TG/DTA studies. Dielectric studies were carried out at different temperatures and frequencies.     

基于单粒子模型与偏微分方程的锂离子电池建模与故障监测

锂离子电池内部结构是一种复杂的分布参数系统, 如果为了降低计算难度而使用常微分方程描述锂离子电池, 可能会引入系统误差, 降低系统模型的可信度, 需要使用偏微分方程建立分布参数系统的精确模型. 本文提出了一种基于单粒子模型和抛物型偏微分方程的锂离子电池系统建模与故障监测系统设计方法, 当锂离子浓度实测值与理想值的残差大于预设门槛时判定分布参数系统处于故障状态. 通过一个仿真实例进行了锂离子电池系统建模和故障诊断实验, 实验证明基于单粒子模型和偏微分方程的锂离子电池故障监测系统具有更高的精确度和可信度.