新超导体MgCNi3的虚晶掺杂研究

用全势线性缀加平面波方法,考虑局域自旋密度近似研究虚晶掺杂MgCNi3的超导电性和磁性.计算了自旋极化能带结构、体弹性模量和它对压力的导数、原子磁矩 m 及其变化率.计算结果表明,对于电子掺杂的Mg1-xAlxCNi3(0≤x≤0.5), 超导电性和磁涨落随掺杂量的增加逐渐减小.空穴掺杂的Mg1-xNaxCNi3,在x＝0.12处出现铁磁相变,超导电性消失.在MgCNi3少量空穴掺杂区域(0≤x<0.12),表现为超导与磁涨落共存的不稳定状态.     

单谐振腔外部Q值的计算方法

 通过对带有耦合器的单驻波腔进行等效电路分析，推导出可计算带有耦合波导的单谐振腔外部Q值的反射相位法，该方法通过计算不同频率的反射相位来确定谐振频率和外部Q值。详细叙述了在CST Microwave Studio中用谐振模式求解法、直接时域跟踪法和反射相位法进行计算的步骤；用这3种方法分别计算了二次发射微波电子枪的外部Q值并和实验测量结果做了比较。结果显示3种计算方法都有很高的精度,但反射相位法的速度最快，耗时1 071 s。计算发现外部Q值与耦合口长度的4.1次方成反比。     

钐(Ⅱ)类卡宾CH_3SmCH_2X(X=Cl、Br和Ⅰ)促进乙烯环丙烷化反应途径的理论研究(英文)

用密度泛函B3LYP方法研究了过渡金属钐类卡宾与乙烯的环丙烷化反应的机理。对三种不同的钐的SS试剂CH_3SmCH_2X(其中X=Cl、Br和Ⅰ)分别和CH_2CH_2反应的各反应物、中间体、过渡态和产物构型的全部结构几何参数进行了优化,用内禀反应坐标(IRC)计算和频率分析方法,对过渡态进行了验证。结果表明：CH_3SmCH_2X(其中X=Cl、Br和Ⅰ)与CH_2CH_2环丙烷化反应按亚甲基转移通道(通道A)和卡宾金属化通道(通道B)都可以进行,与锂类卡宾的反应机理相同,只是按亚甲基转移通道(通道A)进行反应较容易一些,而且此反应在较低的温度下就可以发生。     

非齐次微分方程两点边值问题正解的存在性及多重性

本文考虑一类非齐次微分方程的两点边值问题,得到了一些有关其正解存在性与多重性的精确条件．     

二层多目标规划的最优性条件

本文在集值优化的框架下提出了一个二层多目标规划模型（BLMOP）.利用集值映射的相依导数和相依上导数,给出了几个有关（BLMOP）的弱有效解的必要或充分最优性条件.     

Decomposition of a hierarchy of nonlinear evolution equations

The generalized Hamiltonian structures for a hierarchy of nonlinear evolution equations are established with the aid of the trace identity. Using the nonlinearization approach, the hierarchy of nonlinear evolution equations is decomposed into a class of new finite-dimensional Hamiltonian systems. The generating function of integrals and their generator are presented, based on which the finite-dimensional Hamiltonian systems are proved to be completely integrable in the Liouville sense. As an application, solutions for the hierarchy of nonlinear evolution equations are reduced to solving the compatible Hamiltonian systems of ordinary differential equations.     

生活中的物理知识

日常生活中有许多家用电器与我们学习的知识有着密切关系，可是当学生遇到此类问题时，就不能正确解答因此在教学中应注意，利用生活中的实物分析物理问题会收到良好的效果。     

A projection method for solving incompressible viscous flows on domains with moving boundaries

In this paper, a projection method is presented for solving the flow problems in domains with moving boundaries. In order to track the movement of the domain boundaries, arbitrary‐Lagrangian–Eulerian (ALE) co‐ordinates are used. The unsteady incompressible Navier–Stokes equations on the ALE co‐ordinates are solved by using a projection method developed in this paper. This projection method is based on the Bell's Godunov‐projection method. However, substantial changes are made so that this algorithm is capable of solving the ALE form of incompressible Navier–Stokes equations. Multi‐block structured grids are used to discretize the flow domains. The grid velocity is not explicitly computed; instead the volume change is used to account for the effect of grid movement. A new method is also proposed to compute the freestream capturing metrics so that the geometric conservation law (GCL) can be satisfied exactly in this algorithm. This projection method is also parallelized so that the state of the art high performance computers can be used to match the computation cost associated with the moving grid calculations. Several test cases are solved to verify the performance of this moving‐grid projection method. Copyright © 2004 John Wiley Sons, Ltd.     

Crystallographic report: Crystal structure of tetra(4‐methyl‐5‐imidazole‐carboxyaldehyde)zinc(II) diperchlorate

The central zinc(II) atom in the title complex is tetrahedrally coordinated by four nitrogen atoms derived from 4‐methyl‐5‐imidazolecarboxyaldehyde ligands with Zn? N in the range 2.007(3) to 2.026(4) Å. Copyright © 2003 John Wiley & Sons, Ltd.