微观世界探索

论文系统地阐述了从原子、原子核到基本粒子内部结构研究的历史及现状，讨论了微观物理理论和实验研究的前景和展望．论文还阐述了微观物理与宏观物理(宇宙论和天体物理等)的结合与交叉，以无可争辨的实验事实阐明了微观世界和宏观世界的无限性．     

微观世界探索(续)

论文系统地阐述了从原子、原子核到基本粒子内部结构研究的历史及现状，讨论了微观物理理论和实验研究的前景和展望．论文还阐述了微观物理与宏观物理(宇宙论和天体物理等)的结合与交叉，以无可争辨的实验事实阐明了微观世界和宏观世界的无限性．     

燃煤过程痕量元素动力学机理的研究进展

由于痕量元素在煤中的含量低微、检测困难,加之其原子量一般较大,可能的反应途径多,使得相关的反应机理研究难度极大。本文结合作者的研究成果,介绍了煤燃烧过程中痕量元素化学反应动力学的国内外研究进展,包括痕量元素化学动力学机理的建立;相关的典型实验、计算模拟及其实验验证、动力学机理模型的简化;痕量元素反应动力学机理的完善和发展,包括采用简单碰撞理论、活化络合物理论(亦称过渡态理论,或绝对反应速率理论)对痕量元素化学反应动力学机理的修正;最后指出煤燃烧过程中痕量元素动力学研究的若干方向是: (1)痕量元素反应动力学模型数据库的建立;(2)煤燃烧过程中,主量元素和次量元素的动力学机理的完善; (3)各痕量元素之间动力学研究的开展; (4)实际燃烧过程中痕量元素动力学行为的研究。     

Time-Resolved Femtosecond Degenerate Four-Wave Mixing in LiNbO3：Fe,Mg Crystal

Forward degenerate four-wave mixing （DFWM） processes are investigated with a femtosecond pulsed laser in lithium niobate crystal doubly-doped with magnesium and iron （LiNbO3：Fe, Mg）. The pulse energy dependence reveals a pure third-order nonlinear response, and the third-order nonlinear susceptibility x^（3） in the material is evaluated to be 4.96 × 10^-13 esu. The time-resolved DFWM process shows a response time of x^（3） shorter than 100fs, which is due to the nonresonant electronic nonlinearities. Our results indicate that LiNbO3 crystals have potentials for ultrafast real-time optical processing systems, which require a large and fast x^（3） optical nonlinearity.     

B-Spline with Symplectic Algorithm Method for Solution of Time-Dependent Schrodinger Equations

A B-spline with the symplectic algorithm method for the solution of time-dependent Schrodinger equations （TDSEs） is introduced. The spatial part of the wavefunction is expanded by B-spline and the time evolution is given in a symplectic scheme. This method allows us to obtain a highly accurate and stable solution of TDSEs. The effectiveness and efficiency of this method is demonstrated by the high-order harmonic spectra of one-dimensional atoms in comparison with other references.     

Multiple-State Storage Capability of Stacked Chalcogenide Films （Si16Sb33Te51/Si4Sb45Te51/Si11Sb39Te50） for Phase Change Memory

The multiple-state storage capability of phase change memory （PCM） is confirmed by using stacked chalcogenide films as the storage medium. The current-voltage characteristics and the resistance-current characteristics of the PCM clearly indicate that four states can be stored in this stacked film structure. Qualitative analysis indicates that the multiple-state storage capability of this stacked film structure is due to successive crystallizations in different Si-Sb-Te layers triggered by different amplitude currents.     

多子阵子空间拟合波达方向估计

提出了考虑阵元互耦的子空间拟合波达方向估计方法。用一带状、对称Toeplitz矩阵对均匀线阵的互耦矩阵建模。根据互耦矩阵自由度,去除部分两边阵元,研究了子空间拟合算法中ESPRIT算法的理论性能。在大快拍的情况下,均匀线阵的MCLS-ESPRIT算法的角度估计误差是一个零均值的联合高斯分布,同时给出了分布的协方差表达式。由方差的数值计算可知,在阵元数和信源数确定的情况下,存在估计标准差最小的子阵;与不存在互耦的理想情况相比,除了估计标准差少许增加外,性能接近。本文的方法已应用于高分辨率测深侧扫声呐,获得了好结果。在声呐阵阵元数增加的条件下,用本文的方法,能抑制均匀线阵的互耦的影响。     

The Electrochemical Investigation of MEH-PPV in Ionic Liquid

Ionic liquids are a new kind of room-temperature molten organic salts. It can be used as solvents in the organic/polymeric syntheses, and some of them are called "green" solvents because of its recyclability1. Ionic liquids possess the superior properties, such as thermal stability up to 200(C, involatility and re-designability(for both cation and anion). The ionic liquid employed in this work is [bmim] [PF6]- ( butylmethylimidazolium hexafluorophosphate ) which is immiscible with water and h…     

Na＋-丙氨酸二肽络合离子结构的密度泛函理论研究

运用密度泛函理论B3LYP方法在6-311＋＋G**基组水平下研究了Na^＋与丙氨酸二肽(AD)分子结合形成的6种Na^＋-AD 络合离子, 其中包括2种双齿结构和4种单齿结构. 考察了6种Na^＋-AD络合离子的相对稳定性, 分析了丙氨酸二肽分子与Na^＋作用过程中分子骨架Ramachandran角f和Ψ以及分子内氢键的变化.     

一个新颖三维配位聚合物Pb(1，4-napdc)(DMF)的合成、结构及热稳定性研究

A novel 3D metal-organic coordination polymer Pb(1,4-napdc)(DMF) (1,4-napdc=naphthalene-1,4-dicarboxylate) was synthesized at room temperature using slow vapor diffusion method to grow single crystal that has been analyzed by X-ray diffraction. The crystal belongs to orthorhombic with space group P2₁2₁2₁. The unit cell parameters are as fellows: a=0.701 3(2) nm, b=1.407 6(3) nm, c=1.521 5(4) nm, V=1.501 8(6) nm³ and Z=4. In the crystal structure of Pb(1,4-napdc)(DMF), the square grids constructed with paddle-wheel units of Pb(Ⅱ) and 1,4-napdc links stack over each other to generate infinite 3D network, which has square apertures (1.158×1.158 nm²) along the crystallographic a-axis. The thermal stability of compound was investigated by differential scanning calorimetry and thermogravimetric analysis. CCDC: 293617.