芳香氮化物-CHCl3系列复合物密度泛函法研究

报道对芳香氮化物吡咯（Ｃ４Ｈ５Ｎ）、苯（Ｃ６Ｈ５ＮＨ２）、对位氯代吡啶（Ｃ５Ｈ４ＮＣｌ）、吡啶（Ｃ５Ｈ５Ｎ）及吡咯负离子（Ｃ４Ｈ４Ｎ＾－）与三氯甲烷（ＣＨＣｌ３）形成的系列弱作用复合物的理论计算结果。把复合物看作是一个超分子在密度泛函Ｂ３ＬＹＰ／６－３１１Ｇ（ｄ,ｐ）的水平上进行计算,探讨该系列复合物的稳定性规律、电荷转移及主要几何参数变化等规律,计算结果表明：此类芳香氮化物与三氯甲（ＣＨ３ｌ３）     

采用瓣叶复合材料的生物心脏瓣膜的力学分析

采用微观组织结构分析及宏观复合材料分析结合的方法,分析了猪主动脉瓣的非线性复合材料性质,提出了一种适用于猪主动脉瓣的非线性复合材料本构模型,用提出的非线性复合材料本构模型,对闭合承载状态下的等厚度与变厚度几何模型的猪主动脉瓣的应力分布及变形进行了有限元数值模拟,发现：与各向同性瓣叶相比,单向增强复合材料的瓣叶不但具有较强的承载能力,而且具有较大的柔软性。     

The interaction between crack and electric dipole of piezoelectricity

Discrete dipoles located near the crack tip play an important role in nonlinear electric field induced fracture of piezoelectric ceramics. A physico-mathematical model of dipole is constructed of two generalized concentrated piezoelectric forces with equal density and opposite sign. The interaction between crack and electric dipole in piezoelectricity is analyzed. The closed form solutions, including those for stress and electric displacement, crack opening displacement and electric potential, are obtained. The function of piezoelectric anisotropic direction,p _a (θ)=cosθ+p _a sinθ, can be used to express the influence of a dipole's direction. In the case that a dipole locates near crack tip, the piezoelectric stress intensity factor is a power function with −3/2 index of the distance between dipole and crack tip. Supported by National Natural Science Foundation of China(No. 10072033)     

铱(Ⅳ)-高碘酸钾-二安替比林对氯苯基甲烷新体系催化光度法测定痕量铱

研究发现在磷酸介质中,痕量铱(Ⅳ)对高碘酸钾氧化二安替比林对氯苯基甲烷(DApCM)的显色反应具有明显的催化作用。找到了反应的最佳条件,并测定了一些动力学参数,据此建立了测定痕量铱(Ⅳ)的新方法。其检出限为2.11×10~(-9) g/mL;Ir(Ⅳ)的线性范围为0～20μg/L,用于矿样中痕量铱的测定,结果满意。     

Some basic principles for linear coupled dynamic thermopiezoelectricity

According to the basic idea of classical yin-yang complementarity and modern dualcomplementarity, in a simple and unified way some basic principles for linear coupled dynamic thermopiezoelectricity can be established systematically. An important integral relation in terms of convolutions is given, which can be considered as the generalized principle of virtual work in mechanics. Based on this relation, it is possible not only to obtain the principle of virtual work and the reciprocal theorem in linear coupled dynamic thermopiezoelectricity, but also to derive systematically the complementary functionals for eleven-field, nine-field, six-field and three-field simplified Gurtin-type variational principles. Furthermore, with this approach, the intrinsic relationship among various principles can be explained clearly. Project supported by the National Natural Science Foundation of China (Grant No. 19672074) and Research Grand Council of Hong Kong, No.RGC97/98, HKUST 6055/97E.     

ION HEATING EFFECTS IN LHCD SUSTAINED LOW DENSITY TOKAMAK PLASMAS

In low density (～10¹⁸ cm^-3) plasmas sustained by lower hybrid current drive in the high magnetic field superconducting tokamak Triam-1M (Kyushu University, Japan), high ion temperature has been frequently observed by an NEA diagnostic. The experimental phenomena are briefly described and analyzed in the paper. It is suggested by the analysis that the high ion temperature of the low density tokamak plasmas is attributed to ion Landau damping of lower hybrid wave.     

我国生物质能发展战略的几点意见

本文介绍了国内外生物质能发展的现状与趋势,概述了我国生物质能源近期和远期的潜力.指出研发高新技术是我国生物质能发展的关键.建议以扩大资源总量、提升能源转换的加工技术水平和能源利用效率等为重点.     

Ru(bpy)32+配合物及bpy上双取代基效应的DFT法研究

报道Ru(bpy)32+配合物取代基效应的量子化学密度泛函(DFT)法研究的结果。探讨Ru(bpy)32+的三个配体bpy(2,2′-联二吡啶)被取代基(-NH2,-OH,-NO2)对位双取代后对配合物电子结构及相关性质,如配位键长、光谱性质等的影响规律,为该类配合物的合成及性质分析提供理论参考。     

M(bpy)_3~(2 )(M=Fe,Ru,Os)电子结构与相关性质

报导了对配合物M(bpy)2 M=Fe,Ru,Os)的量子化学密度泛函(DFT)法研究的结果.在B3LYP/LanL2DZ方法与基组的水平上进行计算 ,探讨M(bpy)32 的电子结构特征及相关性质 ,特别是中心原子对配合物的配位键长、光谱性质、电荷布居及化学稳定性等的影响规律 ,为该类配合物的合成 ,为分析光、电、催化作用机理提供理论参考.