ComBn(m+n≤6)团簇的结构，电子特性和磁性研究

基于密度泛函理论和卡里普索结构预测方法,系统研究了ComBn(m+n≤6)团簇的结构,电子特性和磁性。首先,通过卡里普索结构预测方法获得了体系的基态和亚稳态结构。基于基态结构,利用HOMO-LUMO能隙,垂直电离势,垂直电子亲和势和化学硬度分析了掺杂体系的稳定性。最后,研究了基态结构对应的自然布局分布,自然电子组态等电子特性和磁性。     

气液界面微观结构研究的一种实验新方法

许多物理、化学和生物过程发生于气液界面,且受到局域微观结构的深远影响. 不同于液体的体相,分子取向是界面处微观结构突出的不对称特征之一. 本文综述了电子碰撞时间延迟质谱方法和近期取得的进展. 利用这个崭新的方法,不仅可以侦测得到利用小角度X射线或中子散射以及振动和频光谱方法获得的界面微观结构,同时也提供了一种研究气液界面处电子驱动化学反应的实验方案.     

Lp (?m × ?n) boundedness for the Marcinkiewicz integral on product spaces

L^p(R^m × Rⁿ) boundedness is considered for the multiple Marcinkiewicz integral. Some size conditions implying the L^p(R^m × Rⁿ) boundedness of the multiple Marcinkiewicz integral for some fixed 1 > p > ∞ are obtained.     

Multivariate hazard rate orders

Two multivariate hazard rate stochastic orders are introduced and studied. Their meaning, properties, and relationship to other common stochastic orders are examined and investigated. Some examples that illustrate the theory are detailed. Finally, some applications of the new orders in reliability theory and in actuarial science are described.     

The solvability conditions for inverse eigenproblem of symmetric and anti‐persymmetric matrices and its approximation

The problem of generating a matrix A with specified eigen‐pair, where A is a symmetric and anti‐persymmetric matrix, is presented. An existence theorem is given and proved. A general expression of such a matrix is provided. We denote the set of such matrices by ??????_Eⁿ. The optimal approximation problem associated with ??????_Eⁿ is discussed, that is: to find the nearest matrix to a given matrix A* by A∈??????_Eⁿ. The existence and uniqueness of the optimal approximation problem is proved and the expression is provided for this nearest matrix. Copyright © 2002 John Wiley & Sons, Ltd.     

On Uniform Global Error Bounds for Convex Inequalities

This paper studies the existence of a uniform global error bound when a convex inequality g 0, where g is a closed proper convex function, is perturbed. The perturbation neighborhoods are defined by small arbitrary perturbations of the epigraph of its conjugate function. Under certain conditions, it is shown that for sufficiently small arbitrary perturbations the perturbed system is solvable and there exists a uniform global error bound if and only if g satisfies the Slater condition and the solution set is bounded or its recession function satisfies the Slater condition. The results are used to derive lower bounds on the distance to ill-posedness.     

THE STRUCTURE AND APPROXIMATION OF A.S. SELF-SIMILAR SET

The structure of any a.s. self-similar set K(w) generated by a class of random elements {gn,wσ} taking values in the space of contractive operators is given and the approximation of K(w) by the fixed points {Pn,wσ} of {gn,ow} is obtained. It is useful to generate the fractal in computer.     

On the commutator of the Marcinkiewicz integral

boundedness is considered for the commutator of higher-dimensional Marcinkiewicz integral. Some conditions implying the and the boundedness for the commutator of the Marcinkiewicz integral are obtained.     

一种迭代格式的有限元并行算法*

本文提出了一种求解有限元方程的迭代格式的并行算法.该方法在线性代数方程迭代解法的基础上,引进并行运算步骤;并且运用加权残数方法,通过选择适当的权函数,推导了该并行算法的有限元基本格式.该方法在西安交通大学BLXSI-6400并行计算机上程序实现.计算结果表明它能有效地提高运算速度,减少计算时间,是一种有效的求解大型结构有限元方程的并行算法.     

弹性接触问题参数变分原理的有限元并行算法*

本文基于弹性接触问题的参数变分原理的有限元解法,利用并行计算机的特性和并行处理结构,建立了相应的并行算法.该算法从刚度阵的生成和组集,静凝聚过程,求应力过程等多方面实现了并行化.该算法在西安交通大学ELXSI-6400并行计算机上程序实现,计算结果表明能有效地节省计算时间,是一种分析接触问题的有效的并行算法.