Experimental and Theoretical Mechanistic Study on the Thermal Decomposition of 3,3-diphenyl-4-(trichloromethyl)-5-nitropyrazoline

The present paper is a continuation of comprehensive study regarding to synthesis and properties of pyrazoles and their derivatives. In its framework an experimental and theoretical studies of thermal decomposition of the 3,3-diphenyl-4-(trichloromethyl)-5-nitropyrazoline were performed. It was found, that the decompositions of the mentioned pyrazoline system in the solution and at the melted state proceed via completely different molecular mechanisms. These mechanisms have been explained in the framework of the Molecular Electron Density Theory (MEDT) with the computational level of B3LYP/6-31G(d). A Bonding Evolution Theory (BET) examination of dehydrochlorination of the 3,3-diphenyl-4-(trichloromethyl)-5-nitropyrazoline permits elucidation of the molecular mechanism. It was found, that on the contrary for most known HCl extrusion processes in solution, this reaction is realised via single-step mechanism.     

Tagging of the Magnetization with the Transition Zones of 360° Rotations Generated by a Tandem of Two Adiabatic DANTE Inversion Sequences

A new technique is presented for generating myocardial tagging using the signal intensity minima of the transition zones between the bands of 0° and 360° rotations, induced by a tandem of two adiabatic delays alternating with nutations for tailored excitation (DANTE) inversion sequences. With this approach, the underlying matrix corresponds to magnetization that has experienced 0° or 360° rotations. The DANTE sequences were implemented from adiabatic parent pulses for insensitivity of the underlying matrix to B₁ inhomogeneity. The performance of the proposed tagging technique is demonstrated theoretically with computer simulations and experimentally on phantom and on the canine heart, using a surface coil for both RF transmission and signal reception. The simulations and the experimental data demonstrated uniform grid contrast and sharp tagging profiles over a twofold variation of the B₁ field magnitude.     

对求解非线性方程方法的探索

BaiCL在2001年提出了双曲函数法，并把解设成具体的双曲函数，即sinhw和coshw的线性组合．本文把解设成是由2个函数f(ξ)和g(ξ)组成的线性组合，它们可以有多种取法，从而使方程更直接、更有效．借助数学软件Maple，用改进后的方法和吴文俊消元法，求解Bai C L文中的一个例子，获得了包含Bai文结果在内的更为丰富、精确的行波解．     

Highlights and Prospects of Hyperspherical Approach in Few-Body Quantum-Mechanical Systems

The binding energy of excitonium negative ion for ground ¹S-state in bulk conductors: Ge, Si, CdSe and for green and yellow lines of Cu₂O in hyperspherical coordinate method are found. Angular and radial correlations between electrons are taken into account by the channel functions, which are the eigen-functions of operator on the surface of sphere in six-dimensional sphere. The calculation of energies have been done using the adiabatic and Born-Oppenheimer approximations. In Born-Oppenheimer approximation is enough to give a binding energy with only 1.2% error, in adiabatic approximation this error drops to 0.7 %.     

Krylov-Bogolyubov averaging of asymptotically autonomous differential equations

We apply the Krylov and Bogolyubov asymptotic integration procedure to asymptotically autonomous systems. First, we consider linear systems with quasi-periodic coefficient matrix multiplied by a scalar factor vanishing at infinity. Next, we study the asymptotically autonomous Van-der-Pol oscillator.

     

Dependence of the kinetics of the anionic polymerization of methyl methacrylate on the concentration in active centers

Studies on the anionic polymerization of methyl methacrylate in tetrahydrofuran and in the presence of sparteine have revealed a beneficial effect due to this additive, resulting in a decrease in the extent of termination. Better control of the definition of the polymers formed can thus be achieved in the presence of this additive. On the other hand, macromolecular engineering requires a range of active species concentrations lower than 10^?3 mol L^?1 and particularly the synthesis of polymers of high molar masses. For a better understanding of the mechanism of chain growth under such concentration conditions, the kinetics of polymerization have been investigated with a technique based on adiabatic calorimetry. Sparteine has been found to lack sufficient cation‐binding power to prevent the propagating enolate ion pairs from aggregating. The rate constant of propagation of nonaggregated species has been estimated, as well as the aggregation constant of equilibrium. For very low initiator concentrations, termination reactions have been shown to profoundly alter the control of the polymerization and to prevent a quantitative monomer conversion. Theoretical maximal conversions have been calculated from kinetic data and compare well with the experimental values. © 2004 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 42: 4964–4975, 2004     

利用半导体光放大器进行光脉冲消基座的理论研究

提出了一种利用半导体光放大器(SOA)联合可调谐光滤波器进行高阶孤子压缩消基座的新方法.进行了详尽的理论分析和优化.数值计算表明,在一定条件下,这种方法能够在不展宽脉冲的前提下,对基座进行有效地抑制.     

侵彻环境下两种钨合金的细观响应特性

本文实验发现具有较大密度和较高速度的93W钨合金长杆模拟弹的穿靶深度反而比密度较小，速度较低的90W钨合金长杆弹的穿靶深度小．针对这一现象，本文从两种材料在侵彻环境下的细观响应特性的差异上给出了有实验根据的合理分析，结论是90W在侵彻环境下较易于形成绝热剪切带，从而在弹头部发生“自锐化”效应所致．     

教学研究:介绍量子力学几个基本概念——兼答《关于量子几何相位的评注》中的几个主要问题

介绍了量子绝热定理的物理含义及成立的条件，认为有关主要献（Aharonov-Anandan,Bohm，孙昌璞等）的表述是正确的，而《关于量子几何相位的评注》^[1]（以下简称《评注》）相应的表述不完全正确。在此基础上，认为这些献和教材（R.Shankar)得出的涉及Berry绝热相位的一些论述（不含Berry绝热相因子的瞬时能量本征态不满足含时Schroedinger方程等）也是正确的，而《评注》的论述与此相反。《评注》认为只有γn(C)才是Berry相位。本作则倾向于把γn（t）叫做Berry绝热相位，而把γn（C）=γn（T）-γn（0）叫做几何相位（geometric phase)^[2]。     

一维应变压缩下TC4钛合金绝热剪切研究

 利用内径为57 mm的压缩气炮，在撞击速度为0.2~1.2 km/s（相应的靶中压力为3~15 GPa）范围内进行对称碰撞实验，以研究TC4（Ti-Al6-V4）钛合金在一维应变冲击压缩条件下的绝热剪切现象。对回收得到的受冲击样品，在扫描电镜（SEM）下进行细观金相分析。结果指出，一维应变冲击压缩条件下，TC4钛合金中绝热剪切带产生的对称碰撞速度阈值为500 m/s（相当于样品中的压力为5.87 GPa）；主剪切带与冲击方向约为45°角，带上有圆形和椭圆形两种孔洞且随碰撞速度的增大而增多和长大，这是典型的韧性损伤特征。随碰撞速度增大，产生与主剪切带成15°角的支剪切带。这些与理论预言相符。X射线能谱分析结果指出，剪切带内材料发生了(α+β)→β相的转变，是典型的相变带。剪切带的温度估算与实验提供的信息吻合。