Bulk Modulus and Electronic Band Structure of ZnGa2Xa （X=S,Se）： a First-Principles Study

First-principles local density functional calculations are presented for the compounds ZnGa2X4 （X = S, Se）. We investigate the bulk moduli and electronic band structures in a defect chalcopyrite structure. The lattice constants and internal parameters are optimized. The electronic structures are analysed with the help of total and partial density of states. The relation between the cohesive energy and the unit cell volume is obtained by fully relaxed structures. We derive the bulk modulus of ZnGa2Xa by fitting the Birch-Murnaghan＇s equation of state. The extended Cohen＇s empirical formula agrees well with our ab initio results.     

Dynamic Fracture Toughness and Failure Mechanisms of ZnO Whiskers Secondary Reinforced Composites

Quasi-static and dynamic fracture properties and damage mechanism of glass fiber polymer composites embeaaea with different mass percentages of ZnO whiskers are investigated by using an Instron Testing machine and a Split- Hopkinson pressure bar. According to the experimental results and linear fracture mechanics, the quasi-static fracture toughness Kic and the dynamic fracture toughness Kid under various impact velocities of specimens are obtained. Fracture mechanism is investigated by fractography analysis with a scanning electron microscope. The experimental results show that the mass percentage of ZnOw has little influence on the quasi-static fracture toughness, but a little influence on the dynamic fracture toughness and time of initial fracture point of specimens by the reason of various fracture mechanisms.     

一种改进的指针安全分析算法

指针的安全性是C语言程序中的常见问题,它严重影响到系统的安全性.针对指针静态分析中的精度问题,比较分析了目前常见的5种指针分析算法的优缺点,提出了一种基于流不敏感的改进指针静态分析算法.该算法是在Steensgaard算法的基础上,对程序的控制流图进行改进,通过该算法可以得到比常见的数据流不敏感算法更为精确的指针分析结果.在实验室开发的国内首款商用编译器中实现了该算法,实验结果表明该算法可以提高指针分析的精度.     

基于裂开型核酸适体非标记荧光法检测ATP

基于裂开型核酸适体序列短、能有效降低因探针形成二级结构产生假阳性信号等优点,选择裂开型核酸适体作为特异性识别探针,核酸染料噻唑橙（TO）为信号探针,用单壁碳纳米管（SWCNTs）降低背景信号,利用“适配体-目标分子-适配体”的“三明治”夹心方式,建立了一种检测ATP的新方法。在pH 8.0的Tris-HCl缓冲溶液中,裂开成两段的ATP适体特异性识别ATP分子,生成稳定的“适配体-ATP-适配体”复合结构。单壁碳纳米管对该复合结构的吸附力较弱,因此该复合物游离在溶液中,TO与其结合而产生强荧光。当不存在ATP时,核酸适体探针以单链状态存在,可通过π-π共轭作用结合到SWCNTs表面,进而不能与TO结合,TO游离在溶液中荧光非常微弱。反应体系中ATP浓度越高,形成的“适配体-ATP-适配体”夹心识别结构复合物越多,检测到的荧光强度越大,据此实现对ATP的检测。在优化实验条件下,在最大荧光发射波长550 nm处,ATP的浓度在9.0×10-9～1.0×10-7 mol·L-1范围内与ΔF/F₀值成线性关系,r=0.996 4。该方法加标回收率为95.2%～104%,相对标准偏差（RSD）为1.02%～4.54%,检出限达到2.67×10-9 mol·L-1。该方法基于功能核酸对目标物亲合力强、选择识别性高的特点,对ATP的检测表现出很好的选择性,实验结果表明,当相对误差控制在±5%以内时,200倍的UTP,GTP和CTP均不干扰ATP的测定。另外,该方法操作简单、快速、无需标记、灵敏准确,可用于血清样品中ATP的测定,在快速检测小分子物质领域中有较好的应用前景。     

Tm3+/Yb3 :LiYF4单晶的高效近红外量子剪裁及其在光伏电池中的应用

采用改进的坩埚下降法成功地生长了Tm/Yb共掺氟化钇锂单晶. 该单晶体具有每吸收一个蓝色光子并能发射出2个1000 nm近红外光子的下转换发光效应. 测定了样品的激发光谱、发射光谱和荧光衰减曲线. 在465 nm蓝光激发下观察到由Yb³⁺：²F_5/2→²F_7/2能级跃迁所致的960～1050 nm 波段的发射带,此发光带源于Tm³ 对Yb³ 离子的能量下转换过程. 应用Inokuti-Hirayama模型,研究了晶体的能量转换过程,结果表明Tm³ 向Yb³ 的能量传递是一个电偶极子相互作用机制过程. 当Tm³ 与Yb³ 离子的掺杂浓度为0.49mol%与5.99mol%时,单晶的量子剪裁效率达到最大值167.5%.     

镁离子内扩散铌酸锂研究(Ⅱ)—— X射线衍射和扫描电子显微镜表征

对不同扩散条件的铌酸锂单晶基片进行了X射线衍射分析(XRD)和扫描电子显微镜观察(SEM)。结果表明,在扩散表面富镁层出现一新相结构,可能是由Li-Mg-Nb-O组成的三元系相结构,这一新相被认为是镁离子内扩散的真正扩散源。并对晶格发生畸变、镁离子内扩散机理以及镁的扩散层折射率变化机理进行了分析和讨论。 关键词：     

A High-Order Discontinuous Galerkin Method for 2D Incompressible Flows

In this paper we introduce a high-order discontinuous Galerkin method for two-dimensional incompressible flow in the vorticity stream-function formulation. The momentum equation is treated explicitly, utilizing the efficiency of the discontinuous Galerkin method. The stream function is obtained by a standard Poisson solver using continuous finite elements. There is a natural matching between these two finite element spaces, since the normal component of the velocity field is continuous across element boundaries. This allows for a correct upwinding gluing in the discontinuous Galerkin framework, while still maintaining total energy conservation with no numerical dissipation and total enstrophy stability. The method is efficient for inviscid or high Reynolds number flows. Optimal error estimates are proved and verified by numerical experiments.     

基于BP神经网络的复杂彩色图像文本定位*

针对复杂彩色图像中文本的特征,提出了基于小波变换和BP神经网络甄别文本区域的算法.该算法首先利用文本块的边缘特征遴选出备选图像块,而后采用小波变换提取备选图像块的纹理特征,把这些纹理特征参量连同图像块的颜色特征和笔画特征参量输入训练好的BP神经网络,判断备选图像块是否包含文本.该方法运算简单,定位时间短.采用专用的文本定位比赛用图进行实验的结果表明,定位准确率可达到92％,召回率为87.4%.     

Reservoir Pore Structure Classification Technology of Carbonate Rock Based on NMR T 2 Spectrum Decomposition

The carbonate reservoir has a number of properties such as multi-type pore space, strong heterogeneity, and complex pore structure, which make the classification of reservoir pore structure extremely difficult. According to nuclear magnetic resonance (NMR) T ₂ spectrum characteristics of carbonate rock, an automatic pore structure classification and discrimination method based on the T ₂ spectrum decomposition is proposed. The objective function is constructed based on the multi-variate Gaussian distribution properties of the NMR T ₂ spectrum. The particle swarm optimization algorithm was used to solve the objective function and get the initial values and then the generalized reduced gradient algorithm was proposed for solving the objective function, which ensured the stability and convergence of the solution. Based on the featured parameters of the Gaussian function such as normalized weights, spectrum peaks and standard deviations, the combinatory spectrum parameters (by multiplying peak value and normalized weight for every peak) are constructed. According to the principle of fuzzy clustering, the carbonate rock pore structure is classified automatically and the discrimination function of each pore structure type is obtained using Fisher discrimination analysis. The classification results were analyzed with the corresponding casting thin section and scanning electron microscopy. The study shows that the type of the pore structure based on the NMR T ₂ spectrum decomposition is strongly consistent with other methods, which provides a good basis for the quantitative characterization of the carbonate rock reservoir pore space and lays a foundation of the carbonate rock reservoir classification based on NMR logging.     

Rh(I)/Sc(OTf)3-co-catalyzed Michael addition of ammonium ylide to (E)-1,4-enediones: synthesis of functionalized 1,4-diketones

Molecular Diversity - A Rh(I)/Sc(III) co-catalyzed synthesis of highly valuable functionalized 1,4-diketone derivatives in good yields and with an excellent diastereoselectivity. The established...