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.     

Multilevel preconditioners for a quadrature Galerkin solution of a biharmonic problem

Efficient multilevel preconditioners are developed and analyzed for the quadrature finite element Galerkin approximation of the biharmonic Dirichlet problem. The quadrature scheme is formulated using the Bogner–Fox–Schmit rectangular element and the product two‐point Gaussian quadrature. The proposed additive and multiplicative preconditioners are uniformly spectrally equivalent to the operator of the quadrature scheme. The preconditioners are implemented by optimal algorithms, and they are used to accelerate convergence of the preconditioned conjugate gradient method. Numerical results are presented demonstrating efficiency of the preconditioners. © 2005 Wiley Periodicals, Inc. Numer Methods Partial Differential Eq 2006     

GAUSSIAN WHITE NOISE CALCULUS OF GENERALIZED EXPANSION

A new framework of Gaussian white noise calculus is established, in line with generalized expansion in [3, 4, 7]. A suitable frame of Fock expansion is presented on Gaussian generalized expansion functionals being introduced here, which provides the integral kernel operator decomposition of the second quantization of Koopman operators for chaotic dynamical systems, in terms of annihilation operators dt and its dual, creation operators t*.     

非傍轴平顶高斯光束M2因子两种定义的比较研究

基于功率密度的二阶矩方法,推导出了非傍轴平顶高斯(FG)光束束宽和远场发散角的解析表达式·研究表明,当w0/λ→0时,远场发散角趋于渐近值θmax=63.435°,与阶数无关·使用非傍轴高斯光束代替傍轴高斯光束作为理想光束,研究了非傍轴FG光束的M2因子,并与传统定义的M2因子作了比较·在非傍轴范畴,非傍轴FG光束的M2因子不仅与阶数N有关,而且与w0/λ有关·按照定义,当w0/λ→0时,非傍轴FG光束的M2因子不等于0,对阶数N=1,2,3时,M2因子分别趋于0.913,0.882和0.886·当N→∞时,M2因子取最小值M2min=0.816·     

非傍轴平顶高斯光束M2因子两种定义的比较研究

基于功率密度的二阶矩方法，推导出了非傍轴平顶高斯(FG)光束束宽和远场发散角的解析表达式.研究表明，当w0/λ→0时，远场发散角趋于渐近值θmax=63.435°，与阶数无关.使用非傍轴高斯光束代替傍轴高斯光束作为理想光束，研究了非傍轴FG光束的M2因子，并与传统定义的M2因子作了比较.在非傍轴范畴，非傍轴FG光束的M2因子不仅与阶数N有关，而且与w0/λ有关.按照定义，当w0/λ→0时，非傍轴FG光束的M2因子不等于0，对阶数N=1, 2, 3时，M2因子分别趋于0.913,0.882和0.886.当N→∞时，M2因子取最小值M2min=0.816.     

Propagation of the Hermite–Gaussian beams through misaligned optical system with a circular aperture

By means of expanding a hard-edged aperture into a finite sum of complex Gaussian functions, the approximate analytical formula of one kind of higher-order Gaussian beams called the Hermite–Gaussian beams (HGBs) passing through circular apertured and misaligned optical system is obtained in this paper. The result provides more convenience for studying its propagation than the usual way by using diffraction integral directly. Some numerical simulations are also given for illustrating the propagation properties of the HGBs through the circular apertured optical systems.     

Algorithms for flattened Gaussian beams passing through apertured and unapertured paraxial ABCD optical systems

The propagation property of flattened Gaussian beams (FGBs) is studied based on the Collins formula, and analytical propagation equations for FGBs with and without an aperture are derived. It is shown that the closed-form expressions for the FGB of order N passing through paraxial ABCD optical systems without an aperture can be written as the combinations of Confluent Hyper-geometric Functions, and that the analytical equations for the FGB of order N passing through apertured paraxial ABCD optical systems may involve Error Functions. The proposed algorithms for the considered beams can save computing time, provide intuitive physical insights, and help to design optical systems. Our results are confirmed and illustrated with numerical examples.     

强流脉冲高斯分布束在磁四极透镜中的非线性传输

用李代数方法分析了高斯分布下强流脉冲束在磁四极透镜中的非线性传输.在高斯分布下,束流的空间电荷势可利用Green函数算出,进而可以得到包含束流自场的粒子运动的Hamilton函数.再施加李变换,就可以得到粒子运动的各级近似解.本文给出二级近似下的结果,根据需要,还可以扩展到更高级近似.计算过程需要进行迭代,即根据每次算出的轨迹值,确定束团在三维实空间中的大小,然后再进行迭代,直到满足精度要求为止.     

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．