Al-Mg-Si合金相界面的键特征与强化作用

对Al-Mg-Si合金中主要析出相β(Mg2Si)以及纯硅晶胞的键电子密度计算,结果表明硅晶胞中最强的Si-Si键nA比β(Mg2Si)相的Mg-Si最强键nA要强2倍,相应的最强键密度ρ也大2倍,这是影响Mg2Si颗粒的生长以及合金的硬度和强度等力学性能的重要原因.     

EQCM技术对电化学振荡机理的探索

利用石英晶体微天平技术对H2O2在硫酸,高氯酸和盐酸等酸性介质中铂电极上还原反应产生的电化学振荡行为进行了较为系统的研究,得到了对应于H2O2还原过程中两类不同电流振汇的频率响应曲线,讨论了可能的电化学振荡机制。     

硅基片上光互连技术

综述了最近几年国际上有关硅基片上光互连技术的进展,并介绍了一些相关器件,如实现波分复用型片上光互连系统的关键器件：波导、波分复用/解复用器、激光器、探测器、调制器以及光交换器．并讨论了这些器件的工作原理以及性能特点．     

Investigation of the interfacial water structure on poly[2-（dimethylamino）ethyl methacrylate] at the air/water interface by sum frequency generation vibrational spectroscopy

The effect of pH on the conformation of surface alkyl groups and the structure of interfacial water molecules on poly[2-(dime-thylamino)ethyl methacrylate](PDEM) at the air/water interface were investigated with sum frequency generation vibrational spectroscopy(SFG-VS).At pH 4.1,the hydrogen bonding SFG spectra were similar to that of the air/pure water interface.As the pH increased from 5.4 to 9.6,the SFG intensities of both highly ordered hydrogen bonding(3200 cm-1 band) and less-ordered hydrogen bonding(3400 cm-1 band) were enhanced because of the charge-induced effect of deprotonated PDEM.The free OH peak disappeared completely because it was replaced by interfacial PDEM molecules.At pH 11.5,a new spectral band appeared at about 3580 cm-1 in the ppp and sps spectra,and this could be assigned to the C2v asymmetric stretching mode of the water molecules through molecular symmetry simulation.These hydrogen bonding structures are fully consistent with the conformational change of PDEM alkyl groups,and PDEM molecules act as a Hofmeister solvent.PDEM molecules are kosmotropic when they are charged and become more chaotropic as the pH increases.     

氢原子中电子运动图形的绘制

本文研究了氢原子中电子运动波函数和电子云图像的绘制方法，给出了BASIC语言编写的绘图程序以及绘制的波函数和电子云的立体、等值、界面图。     

汽油中硫化氢和硫醇硫的极谱分析

用极谱分析法测定了汽油中的硫化氢和硫醇硫的含量.以甲醇、吡啶、去离子水作为混合溶剂,以0.1 mol/L KOH溶液作为支持电解质。把传统的酸性底液改为碱性底液,提高了测定的灵敏度.不经过分离可分别测定硫化氢和硫醇硫的含量,最低检出限量均为1.0×10~(-7)mol/L,回收率在95％以上.     

Synergic catalytic effect of Ti hydride and Nb nanoparticles for improving hydrogenation and dehydrogenation kinetics of Mg-based nanocomposite

The Mg-9.3 wt% (TiH1.971-TiH)?0.7 wt% Nb nanocomposite has been synthesized by hydrogen plasma-metal reaction (HPMR) approach to enhance the hydrogen sorption kinetics of Mg at moderate temperatures by providing nanosizing effect of increasing H “diffusion channels” and adding transition metallic catalysts. The Mg nanoparticles (NPs) were in hexagonal shape range from 50 to 350 nm and the average size of the NPs was 177 nm. The small spherical TiH1.971, TiH and Nb NPs of about 25 nm uniformly decorated on the surface of the big Mg NPs. The Mg-TiH1.971-TiH-Nb nanocomposite could quickly absorb 5.6 wt% H2 within 5 min at 573 K and 4.5 wt% H2 within 5 min at 523 K, whereas the pure Mg prepared by HPMR could only absorb 4 and 1.5 wt% H2 at the same temperatures. TiH1.971, TiH and Nb NPs transformed into TiH2 and NbH during hydrogenation and recovered after dehydrogenation process. The apparent activation energies of the nanocomposite for hydrogenation and dehydrogenation were 45.0 and 50.7 kJ mol?1, which are much smaller than those of pure Mg NPs, 123.8 and 127.7 kJ mol?1. The improved sorption kinetics of the Mg-based nanocomposite at moderate temperatures and the small activation energy can be interpreted by the nanostructure of Mg and the synergic catalytic effects of Ti hydrides and Nb NPs.     

铜／钢液固相复合工艺的实验研究

用液-固相复合法制备铜包钢线，并研究了预热温度、铜液温度和复合时间等工艺参数对铜包钢线的包覆比的影响．结果表明，在接触初期，随着接触时间的增加，铜层厚度和包覆比增加，当热流达到平衡时，包覆比达到最大，最大可达77％，之后包覆比逐渐减小．钢芯线预热温度和铜液温度的升高使包覆比下降，重熔时间缩短．     

盐酸诺氟沙星的晶体结构

标题化合物,C16H19FN3O3+Cl-,形成的离子化合物由质子化的诺氟沙星阳离子C16H19FN3O3+和阴离子Cl组成.它属于单斜晶系,P21/c空间群,晶胞参数Mr=355.79,a=1.234 4(3)nm,b=0.696 53(14)nm,c=1.947 1(4)nm,β=103.40(3)°,V=1.628 6(6)nm3,Z=4,Dc=1.443 Mg/m3,F(000)=736,μ=0.265 mm-1,R1=0.040 5,wR2=0.102,3 635独立衍射点(I＞2σ(Ⅰ)).晶体堆积通过π-π堆积和与哌嗪的NH,C-H,和羧基O以及Cl-有关的分子间氢键作用而稳定,这些作用力使晶体沿着ac平面形成二维的无限网络结构.     

球形颗粒流数值模拟宏细观力学强度参数相关性研究

采用颗粒离散元方法研究岩土体的细观力学性质时,由于细观参数的选取具有一定的人为性和不确定性,如何确定宏、细观参数之间的关系是必须面临的难题。基于平行粘结模型,在大量数值三轴压缩试验基础上,建立了岩土颗粒材料三维细观参数(颗粒摩擦系数、颗粒接触刚度比、颗粒粘结强度、颗粒粘结强度比)与材料宏观力学强度参数(c,φ)的标定关系。结果表明:细观参数颗粒接触刚度比与颗粒摩擦系数对岩土颗粒材料的剪切强度参数(c,φ)影响较大,其他参数影响可忽略;采用多元非线性拟合方法,定量给出了相关细观参数与宏观剪切强度参数(c,φ)的计算公式;并通过一处于蠕滑状态的边坡力学状态对标定的参数准确性进行了验证。所建立的预测公式可为相关力学计算与数值模拟提供参数确定依据。