神经网络法计算镉（Ⅱ）,羟基及碳酸根三元体系的形态分布

采用前馈线笥网络ＢＰ算法，计算了Ｃｄ６２＋－ＯＨ＾－ＣＯ＾２－３三元体系的累积稳定常数。用Ｈｏｐｆｉｅｌｄ反馈网络研究了体系中络合物的形态分布。溶液中溶解的ＣＯ２对ｌｇβ１的计算结果有重要影响，对ｌｇβ２，ｌｇβ３，ｌｇβ４的结果影响不大。     

Quantum Interference, Quantum Theory of Measurement, and (In)completeness of Quantum Mechanics

The new techniques and ideas in quantum interferometry with neutrons, photons, atoms, electrons, and Bose condensates that fluorished in the last two decades have influenced in a decisive way the thinking and the research in the foundations and interpretation of quantum mechanics. The controversies existing among different schools on the reality of matter waves of quantum theory, the postulates of quantum measurement theory, and the (in)completeness of quantum mechanics have to be approached now in a new way. Our argumentation follows the spirit of the Paris school.     

黄酮类天然产物13C NMR数据的计算机检索和辅助解析(Ⅱ)黄酮类天然产物的13C NMR数据规律及其在智能解析中的应用

本文通过对大量的黄酮类化合物¹³C NMR图谱的分析和研究,总结了不同类型的黄酮类化合物的¹³C NMR图谱特征及化学位移规律.对影响黄酮类化合物结构骨架上不同位置碳原子化学位移的因素进行了分析,建立了用于黄酮类天然产物¹³C NMR图谱智能解析的知识库.     

基于小波包分析的心磁信号消噪

心磁图(Magnetocardiography)是一种无创性记录和分析心脏电磁场的方法.由于心磁场强度极其弱小,必须使用超导量子干涉仪(SQUID)才能检测,其中心磁信号消噪处理十分重要.本文对心磁测量中的消噪进行了研究,在小波分析的基础上,提出使用小波包分析方法消噪,通过实验发现小波包分析消噪能获得很好的效果.     

Total Dose Radiation Tolerance of Phase Change Memory Cell with GeSbTe Alloy

Phase change memory （PCM） cell array is fabricated by a standard complementary metal-oxide-semiconductor process and the subsequent special fabrication technique. A chalcogenide Ge2Sb2Te5 film in thickness 50hm deposited by rf magnetron sputtering is used as storage medium for the PCM cell. Large snap-back effect is observed in current-voltage characteristics, indicating the phase transition from an amorphous state （higher resistance state） to the crystalline state （lower resistance state）. The resistance of amorphous state is two orders of magnitude larger than that of the crystalline state from the resistance measurement, and the threshold current needed for phase transition of our fabricated PCM cell array is very low （only several μA）. An x-ray total dose radiation test is carried out on the PCM cell array and the results show that this kind of PCM cell has excellent total dose radiation tolerance with total dose up to 2 ×10^6 rad（Si）, which makes it attractive for space-based applications.     

膨胀的热夸克胶子物质的中等质量双轻子的增强

基于一个描述夸克胶子火柱演化的相对论流体力学模型,研究了夸克相、强子相互作用以及非热过程(DrellYan对、粲强子衰变)的中等质量双轻子的产生.发现由于相边对夸克胶子物质演化的影响和RHIC能量核碰撞产生的夸克胶子物质具有高的初始温度,夸克相对双轻子的贡献显著增强,比那些来自强子相互作用的贡献重要,甚至能与来自非热的贡献比较.表明中等质量双轻子的增强是一个在核碰撞中产生了夸克胶子物质的可能信号. 关键词： 夸克-胶子物质 双轻子增强 相对论流体力学模型     

非晶硅薄膜的低温快速晶化及其结构分析

在镀铝的廉价玻璃衬底上高速沉积的非晶硅薄膜在不同的温度下退火10min.退火温度为500℃时,薄膜表面形成了硅铝的混合相,非晶硅薄膜开始呈现了晶化现象 退火温度为550℃时,大部分(约80%)的非晶硅晶化为多晶硅,平均晶粒尺寸为500nm 退火温度为600℃时,几乎所有的非晶硅都转化为多晶硅,其平均晶粒尺寸约为15μm.     

PbWO4晶体空位型缺陷电子结构的研究

采用基于密度泛函理论的相对论性离散变分和嵌入团簇方法计算了PbWO4晶体中与氧空位和铅空位相关缺陷的态密度分布,并运用过渡态方法计算了其激发能.结果表明:PbWO4晶体中WO3+VO缺陷的O2p→W5d跃迁可引起350nm和420nm附近的吸收,并且发现VPb的存在可以使WO42基团的禁带宽度明显变小 关键词： PbWO4晶体 密度泛函 氧空位和铅空位 态密度分布     

Effect of end groups on complexation kinetics between cyclodextrins and guest polymers

α‐Cyclodextrin (α‐CD) has been complexed with various poly(ethylene glycol) (PEG) derivatives in aqueous solution. It has been found that the end groups of PEG derivatives affect the complexation kinetics greatly, but have only a little influence on the thermodynamic behavior. By increasing the hydrophobicity of end groups, the complexation speeds up rapidly. On the other hand, the bulky end groups slow down the threading of polymeric guests into the cavity of CD. By changing the hydrophobicity and the size of end groups, the complexation rate can be adjusted in the range of several orders of magnitudes, which should be quite useful in the design of new supramolecular systems. © 2006 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 44: 2050–2057, 2006     

Temperature dependence of interband transition energy in InGaAsN strain-compensated quantum-well and ridge-waveguide lasers fabricated with pulsed anodic oxidation

Ridge-waveguide InGaAsN triple-quantum-well strain-compensated lasers grown by metal organic chemical vapor deposition were fabricated with pulsed anodic oxidation. The laser’s output power reached 145 mW in continuous-wave mode at room temperature for a 4-?m -stripe-width laser. Continuous-wave single longitudinal mode operation was maintained at a high injection current level with a wavelength of 1287.3 nm at room temperature. Single longitudinal mode operation at 1317.2 nm was achieved at twice the threshold current at 100 °C. The band gap of InGaAsN in the quantum wells at different temperatures was calculated and compared to the measured temperature-dependent laser wavelength.