草酰胺分子构型、稳定性、IR光谱及分子轨道的密度泛函与从头算研究

运用多种密度泛函理论 (DFT)和从头算 (abinitio)方法研究了草酰胺顺、反异构体的分子几何构型 ,结果表明Beck88交换函数与LYP非局域相关函数形成杂化的DFT方法B3LYP与MP2方法计算结果比较吻合。在此基础上选择B3LYP方法对草酰胺分子电子结构、红外光谱和前线分子轨道组成进行了系统研究 ;与实验事实对比分析了气态草酰胺分子中配位原子的反应活性     

一类非牛顿渗流方程爆破界的估计

本文利用拟线性常微分方程解的非存在性定理得到了一类拟线性反应扩散方程(非牛顿渗流方程)爆破界的估计,从而推广了半线性反应扩散方程(牛顿渗流方程)相应结果.     

The Drazin inverses of products and differences of orthogonal projections

In this note, the Drazin inverses of products and differences of orthogonal projections on a Hilbert space are established.     

热等离子体裂解天然气制备C2烃

采用氮气热等离子体来裂解天然气制备乙炔乙烯,着重研究了天然气转化率和乙炔、乙烯收率随氮气流量和天然气流量的变化.结果表明,天然气流量与氮气流量之比为11时,可得到较好的结果.当等离子体功率为15kW、天然气流量为3Nm3*h-1、氮气流量为3Nm3*h-1时得到最好的结果.这时天然气转化率为57%,乙炔、乙烯的收率分别为34%和9%;乙炔在反应气中的体积浓度为7.5%,与部分氧化法相似;扣除不参加反应的氮气,乙炔在气相产品中的体积浓度为13.2%,与热力学平衡计算结果基本符合.     

离散型半参数广义线性纵向数据模型的方差成分检验

在回归分析中, 随机误差是否存在方差非齐性是大家十分关心的问题, 本文根据Laplace展开原理针对随机效应的影响研究了基于纵向数据的离散型半参数广义线性模型的方差成分检验,得到了Score检验统计量, 最后通过一个实例和计算机模拟验证了本文所提出的方法的有效性.     

Co@SiO2核壳式纳米磁性粒子的合成、性质表征及在细胞分离和细胞芯片上的应用

合成了Co@SiO2核壳式纳米粒子,并采用透射电镜(TEM)、X射线衍射(XRD)、扫描电镜(SEM)和振动样品磁强计(VSM)对其形状、尺寸、荧光及磁特性进行了表征,探讨了其在细胞分离和细胞芯片上的应用和原理.     

On a micro‐macro model for polymeric fluids near equilibrium

In this paper, we study a micro‐macro model for polymeric fluid. The system involves coupling between the macroscopic momentum equation and a microscopic evolution equation describing the combined effects of the microscopic potential and thermofluctuation. We employ an energetic variation procedure to explore the relation between the macroscopic transport of the particles and the induced elastic stress due to the microscopic structure. For the initial data not far from the equilibrium, we prove the global existence and uniqueness of classical solutions to the system. © 2006 Wiley Periodicals, Inc.     

二维随机激光器的模式选择及阈值与饱和特性

基于将Maxwell方程与四能级原子系统速率方程相结合而建立起随机激光时域理论，并利用有限时域差分法，研究了二维随机介质中激光模式的输出特性与介质尺寸、外形及抽运速率等参数的关系.结果表明，与传统激光模式相似，随机激光模式的强度随抽运速率的变化不仅具有阈值特性，而且具有饱和特性.基于模式特性对介质及抽运参数的依赖关系，提出了二维随机激光器的选模方式，在很大程度上不同于传统激光器的选模方式. 关键词： 随机激光器 模式选择 无序介质中的光学特性     

Effects of Nb2O5 on thermal stability and optical properties of Er3+-doped tellurite glasses

Er³⁺-doped tellurite glasses with molar compositions of xNb₂O₅-(14.7-x)Na₂O--10ZnO--5K₂O--10GeO₂-- 60TeO₂--0.3Er₂O₃ (x=0, 3, 5, 7 and 9) have been investigated for developing 1.5~μm fibre and planar amplifiers. The effects of Nb₂O₅ on the thermal stability and optical properties of Er³⁺-doped tellurite glasses have been discussed. It is noted that the incorporation of Nb₂O₅ (x=5) increases the thermal stability of tellurite glasses significantly. Er³⁺-doped niobium tellurite glasses exhibit a large stimulated emission cross-section (7.2\times 10^-21- 10.7×10^-21~cm² and the gain bandwidth, FWHM×\sigma_e^{\rm peak} (274\times 10^-28 - 480×10^-28~cm³), which are significantly higher than that of silicate and phosphate glasses. In addition, the intensity of upconversion luminescence of the Er³⁺-doped niobium tellurite glasses decreases rapidly with increasing Nb₂O₅ content. As a result, Er³⁺-doped niobium tellurite glasses might be a potential candidate for developing laser or optical amplifier devices.