纳米尺度下Sm-Co合金体系中相组成与相稳定性的研究

建立了纳米晶合金相的热力学模型,可定量描述纳米尺度下合金体系中化合物相的热力学性质,并预测合金相的稳定性及其转变规律.利用该模型全面计算了纳米晶Sm-Co合金体系中各化合物相在不同晶粒尺寸下的摩尔吉布斯自由能随温度的变化关系,预测了纳米尺度下Sm-Co合金体系中各物相的相对稳定性及转变规律.模型预测结果示出,在室温附近,随着纳米晶粒尺寸的减小,某些纳米晶合金相的摩尔吉布斯自由能将由负值变为正值,预示着将向其他更稳定的纳米晶合金相转变,这是与传统粗晶材料中合金相的稳定性仅依赖于温度条件而完全不同的纳米晶合金 关键词： 纳米晶材料热力学 Sm-Co合金 相稳定性 相变     

二维空气环型光子晶体的负折射成像特性

采用平面波展开法和时域有限差分法研究了由空气环组成的二维三角晶格光子晶体平板的负折射成像特性.研究结果表明对于外半径为 0.4 a,内半径 0—0.13a的空气环型光子晶体,第二能带中归一化频率为 0.3 的电磁波可以实现有效折射率为-1的负折射成像.通过光子晶体有效折射率的计算,得到了有效折射率为-1的电磁波频率随空气环内径由0—0.2 a变化的规律,并由对应等频曲线的变化解释了结构参数对光子晶体平板成像的影响. 关键词： 光子晶体 空气环 负折射 等频曲线     

Folded Solitary Waves and Foldons in （2＋1） Dimensions

A general type of local/zed excitations, folded solitary waves and foldons, is defined and studied both analytically and graphically. The folded solitary waves and foldons may be “folded“ in quite complicated ways and possess qnite rich structures and abundant interaction properties. The folded phenomenon is quite universal in the real natural world. The folded solitary waves and foldons are obtained from a quite universal formula and the universal formul is valid for some quite universal (2 1)-dimensional physical mode/s. The “universal“ formula is also extended to a more general form with many more independent arbitrary functions.     

Scale for the Production of Jets in High Energy e+e－ Collisions

The scale for visible jets produced in e⁺e^－ Collisions is studied in some details using Monte Carlo method. It is demonstrated, based on the historical fact that the 3-jet events were firstly observed in e+ e- experiments at √S=17—30GeV,and the relative transverse momentum for visible jets is in the region k_t,～5—10GeV/c. It is further shown, using a concrete example, that the number of jets in an event could be correctly evaluated only when k_t is in this region. The dynamical fluctuations inside jets determined through different values of k_t are compared carefully. It turns out that only when k_t,～5—10GeV/c the dynamical fluctuations inside jets will possess the best anomalous scaling property. The relation between the scale 5-10GeV/c of visible jets and the scale 1-2GeV of perturbative QCD is discussed.     

Analysis of the effect of sidewall on the performance of 6H-SiC Schottky barrier source/drain NMOSFETs

Between source/drain and gate of SiC Schottky barrier source/drain MOSFET (SiC SBSD-MOSFET), there must be a sidewall as isolation. The width of sidewall strongly affects on the device performance. In this paper the effect of sidewall on the performance of 6H-SiC SBSD-NMOSFET is simulated with the 2D simulator MEDICI. The simulated results show that a sidewall with width less than 0.1μm slightly affects the device performance. However, when the width of sidewall exceeds 0.1μm, the conduction does not occur until the drain voltage is high enough and saturation current sharply decreases. The effect of the sidewall on device performance can be reduced by decreasing the doping concentration in the epitaxial layer.     

吡啶气相光氯化反应理论研究──加成反应机理的过渡态和IRC解析

通过PM3方法研究氯自由基与吡啶分子加成反应的结果表明,生成不同产物2－氯吡啶、3－氯吡啶、4-氯吡啶的每一个反应通道都存在两个过渡态,生成2－氯吡啶反应路径主过渡态的能量及活化能最低,分别为-110293.6和139.2kJ/mol,反应优先生成2－氯吡啶,与实验结果一致.生成2－氰吡啶反应过程(IRC)相关的键长、键级和原子净电荷变化表明,吡啶环反应部位C原子与Cl加成形成C-Cl键主要与共轭双键断裂同步,而C-H键的断裂主要与共轭双键的重新形成同步.反应进程中氯原子净电荷从增加到减少的变化是氯原子诱导效应吸引电子和p－π共轭电荷平均分布等相互作用的结果.     

仪器分析方法精密度的评估方法研究

提出了一种评估仪器分析方法精密度的新的试验方法。采用实验室内不确定度评估试验替代实验室间的协同试验评定试验方法的重复性和再现性,结果与国家标准方法评定值相当。方法简单、快捷、节约大量经费。     

基于学生认知逻辑的高中化学教科书栏目分析

基于学生的认知逻辑,具体分析了人教版、鲁科版和苏教版高中《化学1》教材中“化学物质及其变化”的栏目设计,指出栏目设计逻辑顺序与学生认知顺序存在的冲突,并从教科书栏目内容的呈现方式、栏目的具体数量、栏目的正确使用等方面对教材的编写及教师对教材的二次开发提出了具体建议。     

Synthetic studies toward melotenine A

Attempts to the construction of B/C ring and E ring in melotenine A are described. Based on para-dienone chemistry, a tactical application of tandem aminolysis/aza-Michael addition reaction was made to access highly functionalized building blocks with the pyrrolo[2,3-d]carbazole tetracyclic unit (A/B/C/D ring). Albeit negative results for assembling the dihydroazepine unit (E ring) by using the proposed fragmentation reaction of gem-dihalocyclopropanes, an alternative strategy based on ring closing metathesis was evolved to forge the E ring possessing a twisted 1,3-diene unit embedded in the rigid skeleton of melotenine A.