2,2’—二硫代双(4,6—二叔丁基苯酚)的晶体和分子结构

一种塑解剂经高压液体色谱分离制备出主要成份2,2′—二硫代双(4,6二叔丁基苯酚)。由质谱分析得到分子量为474化学式为C_(28)H_(2)O_2S_2、晶体呈现孪生。基体单晶属三斜晶系,空间群为(?)PI(NO.2),晶体结构用直接法解出,=0.07。研究结果表明该分子是二硫代酚类化合物。在EI场中,S—S键断裂是主要断裂过程。晶体中,分子的一个环上的羟基是无序分布的。羟基与最邻近的硫原子形成氢键。     

High-Dimensional Nonlinear Envelope Equations and Nonlinear Localized Excitations in Photonic Crystals

We investigate the nonlinear localized structures of optical pulses propagating in a one-dimensional photonic crystal with a quadratic nonlinearity. Using a method of multiple scales we show that the nonlinear evolution of a wave packet, formed by the superposition of short-wavelength excitations, and long-wavelength mean fields, generated by the self-interaction of the wave packet, are governed by a set of coupled high-dimenslonal nonlinear envelope equations, which can be reduced to Davey-Stewartson equations and thus support dromionlike high-dimensional nonlinear excitations in the system.     

Crystal-Orientation Dependent Evolution of Edge Dislocations from a Void in Single Crystal Cu

The micro-void growth by dislocation emission under tensile loading is explored with focus on the influence of crystal orientations. Based on the elastic theory, a dislocation emission criterion is formulated. It is predicted that the preferential location of dislocation nucleation and its threshold stress are dependent on the crystal orientation. Large-scale molecular dynamics （MD） simulations are also performed for single crystal copper to illustrate the dislocation evolution pattern associated with a nano-void growth. The results are in line with those given by the theoretical prediction. As revealed by MD simulations, the characteristics of void growth at micro-scale depend greatly on the crystal-orientation.     

Cauchy-Born Rule and the Stability of Crystalline Solids： Dynamic Problems

We study continuum and atomistic models for the elastodynamics of crystalline solids at zerotemperature.We establish sharp criterion for the regime of validity of the nonlinear elastic wave equationsderived from the well-known Cauchy-Born rule.     

First-Principles Study on the Electronic Structures for Y^3＋：PbWO4 Crystals

The possible defect models of Y^3＋：PbWO4 crystals are discussed by defect chemistry and the most possible substituting positions of the impurity Y^3＋ ions are studied by using the general utility lattice program （GULP）. The calculated results indicate that in the lightly doped Y^3＋ ：PWO crystal, the main compensating mechanism is [2Ypb^＋ ＋ VPb^2-], and in the heavily doped Y^3＋ ：PWO crystal, it will bring interstitial oxygen ions to compensate the positive electricity caused by YPb^＋, forming defect clusters of [2Ypb^＋ ＋Oi^2-] in the crystal. The electronic structures of Y3＋ ：PWO with different defect models are calculated using the DV-Xα method. It can be concluded from the electronic structures that, for lightly doped cases, the energy gap of the crystal would be broadened and the 420nm absorption band will be restricted; for heavily doped cases, because of the existence of interstitial oxygen ions, it can bring a new absorption band and reduce the radiation hardness of the crystal.     

LiNbO3∶Cr∶Cu晶体吸收特性及非挥发全息存储研究

研究了LiNbO3∶Cr∶Cu晶体的吸收特性,发现LiNbO3∶Cr∶Cu（含0.14 wt.% Cr2O3 和 0.011 wt.% CuO）晶体存在两个明显的吸收峰,中心波长分别位于480 nm和660 nm; 随着Cr的含量逐渐减小,Cu的含量逐渐增大,短波段不存在明显吸收峰,掺Cr的含量越大,中心波长在660 nm处的吸收越大；633 nm红光虽然位于中心波长为660 nm的吸收峰内,但它无助于光折变过程.分别采用390 nm紫外光和488 nm蓝光作为敏化光,514 nm绿光作为记录光的记录方案,实现了非挥发全息记录,掺入适量的Cr( 比如NCr=2.795×1025 m－3,NCr/ NCu=1)有助于全息记录性能的提高.     

KNSBN晶体猫式互抽动相位共轭光特性

在KNSBN：Ce晶体中，利用二波耦合作用，在单一光束无法获得相位共轭光的条件下，实现了“猫”式互抽运相位共轭光输出，获得较高的共轭光发射率，实验结果表明，晶体的二波耦合作用可以使晶体的自抽运相位共轭光的阈值光强降低。入射光的入射角范围增大，响应时间缩短。     

一维CO2光学晶格中的光子带隙

本文研究了囚禁^85Rb原子的一维CO2光学晶格的光子带隙。由于大失谐CO2聚焦光束（λ=10．6μm）远离Rb原子的共振频率，原子与晶格光场的自恰作用可忽略，Rb原子被囚禁在周期为d=λ／2=5．3μm的周期性格点上，且单个格点上囚禁的原子数目可以达到10^3，整个晶格形成具有空间周期性调制的介电多层膜系。类似于光子晶体，其光学响应将在晶格频率与共振频率之间产生光子带隙。另一方面，     

LD抽运Cr~(4 )∶YAG高重复率被动调QNd∶YVO_4激光器

采用Cr4 ∶YAG晶体作为可饱和吸收体,实现连续激光二极管(LD)端面抽运的Nd∶YVO4激光器的高重复率被动调Q·在注入抽运功率为8.8W时,得到重复频率23.8kHz、平均功率1.21W的调Q脉冲序列;每个脉冲能量为51μJ、脉宽为25ns、峰值功率达到2.03kW·实验上研究了脉冲重复频率、平均输出功率、脉冲宽度、单脉冲能量与抽运功率、输出镜透过率的关系·实验结果表明,当抽运功率较大时,脉冲重复频率和输出平均功率随着抽运功率的增加而减小,对此进行了合理的理论解释·     

二维非正交坐标斜方格金属光子带隙结构

金属光子带隙结构在高能加速器、微波真空电子器件和太赫兹波源等方面具有重要的应用前景.基于实空间传输矩阵理论，详细研究了非正交坐标系下二维斜方格金属光子带隙结构，给出了计算横电模、横磁模完全带隙结构的一般公式，并分析了填充系数、任意斜角及金属柱横截面对带隙结构的影响.计算结果在退化为正方格情况下时，与其他方法的计算结果取得很好的一致. 关键词： 光子晶体 金属光子带隙 传输矩阵法 微波真空电子器件