神经网络法计算镉（Ⅱ）,羟基及碳酸根三元体系的形态分布

采用前馈线笥网络ＢＰ算法，计算了Ｃｄ６２＋－ＯＨ＾－ＣＯ＾２－３三元体系的累积稳定常数。用Ｈｏｐｆｉｅｌｄ反馈网络研究了体系中络合物的形态分布。溶液中溶解的ＣＯ２对ｌｇβ１的计算结果有重要影响，对ｌｇβ２，ｌｇβ３，ｌｇβ４的结果影响不大。     

Formulation,Stability, and Computation of Traffic Network Equilibria as Projected Dynamical Systems

In this paper, we present a unified treatment and analysis of a dynamic traffic network model with elastic demands formulated and studied as a projected dynamical system. We propose a travel route choice adjustment process that satisfies the projected dynamical system. Under certain conditions, stability and asymptotical stability of the equilibrium patterns are then derived. Finally, two discrete-time algorithms, the Euler method and the Heun method, are proposed for the computation of the solutions, and convergence results established. The convergence results depend crucially on stability analysis. The performance of the algorithms is then illustrated on several transportation networks.     

Max—min神经网络的一种有效学习算法

本文在Ａ．Ｂｌａｎｃｏ等人的算法的基础上，提出了ｍａｘ－ｍｉｎ神经网络的一种改进了的反馈学习算法，严格证明了该算法的迭代收敛性，理论分析及实例计算结果均表明，本文算法具有算法简单，收敛速度快，输出误差小等显著特点。     

混沌的模糊神经网络逆系统控制

提出用Sugeno型的模糊推理神经网络建立混沌系统的逆系统模型,并采用逆系统方法进行混沌的控制.这种方法的特点是可以不必建立混沌系统的解析模型,通过模糊神经网络学习混沌系统的运动规律,通过学习获得的规律对混沌进行有效的控制,并且该控制方法可以控制混沌系统以一定精度跟踪连续变化的给定信号.理论分析及针对虫口模型和Henon模型仿真研究证明了该方法的有效性 关键词： 混沌 模糊神经网络 逆系统控制     

运输网络中最小饱和流的求解

运输网络中常常由于流量的不可控易发生堵塞现象.网络发生堵塞时的饱和流值达不到最大流值.最小饱和流是运输网络,尤其是紧急疏散网络设计中很重要的一个参数.通过建立网络的割集矩阵来确定网络的堵塞截面,基于此提出了求解最小饱和流的线性规划模型及算法.举例分析表明,利用该算法计算网络最小饱和流更加简便、更加实用.     

求解通信网节点间全部路由的逻辑代数化算法

经典的D IJKSTRA和BELLM AN-F LOYD通信网络路由算法,只能根据特定网络参数得到最佳路由,却无法获得网络存在的全部可用路由,而通信网理论研究及网络管理等方面,往往需要获得节点之间的全部可用路由.研究出一种路由新算法,遵循逻辑代数运算规则、采用关联矩阵中行与行之间整合与删除方式计算,N个节点的网络只需N-1次整合及删除运算,就能得到源节点到任意节点两点之间全部路由结果.详细论证了算法的正确性与合理性,简介了算法的并行运算可行性及与经典路由算法的兼容性等问题.通过算例详细说明算法的计算过程,并验证其正确性.     

空位在金刚石近(001)表面扩散的分子动力学模拟

用分子动力学方法模拟了空位在金刚石近(001)表面的扩散过程,研究了温度对空位扩散的影响.结果表明,当温度为1000K左右时,位于近表面第二层上的空位开始向表面运动;当温度在1400—2000K时,空位完全扩散到表面.这与实验结果和其他计算结果符合得很好.同时发现,温度为1400—1800K时,空位的扩散经历了两次迁移运动,其分别对应了均方位移图中的两个极大值.在不施加任何约束的条件下得到了空位的动态扩散路径,空位在金刚石近(001)表面的扩散势垒约为042eV.并探讨了一定温度下空位数目增多及其不同排列 关键词： 金刚石 空位 扩散 分子动力学     

Effect of end groups on complexation kinetics between cyclodextrins and guest polymers

α‐Cyclodextrin (α‐CD) has been complexed with various poly(ethylene glycol) (PEG) derivatives in aqueous solution. It has been found that the end groups of PEG derivatives affect the complexation kinetics greatly, but have only a little influence on the thermodynamic behavior. By increasing the hydrophobicity of end groups, the complexation speeds up rapidly. On the other hand, the bulky end groups slow down the threading of polymeric guests into the cavity of CD. By changing the hydrophobicity and the size of end groups, the complexation rate can be adjusted in the range of several orders of magnitudes, which should be quite useful in the design of new supramolecular systems. © 2006 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 44: 2050–2057, 2006     

A new method for constructing infinite families of k-tight optimal double loop networks

The double loop network (DLN) is a circulant digraph with n nodes and outdegree 2. DLN has been widely used in the designing of local area networks and distributed systems. In this paper, a new method for constructing infinite families of k-tight optimal DLN is presented. For k = 0,1,…,40, the infinite families of k-tight optimal DLN can be constructed by the new method, where the number nk(t,a) of their nodes is a polynomial of degree 2 in t and contains a parameter a. And a conjecture is proposed.