聚合物水凝胶体积相变过程中自发生成的新图案

聚合物水凝胶在 p H、温度等外界条件变化之下可发生连续或不连续的体积相变[1～ 6] .近年来 ,国际学术界认识到 ,凝胶的体积变化并不总是均匀地发生 ,伴随着剧烈的体积相变过程 ,凝胶中往往会呈现丰富多彩的图案[7～ 10 ] .这些图案已引起国际高分子学术界、包括研究材料力学行为和水母等“透明状动物”的科学家的极大兴趣 [11] .已发现了凝胶膨胀过程中的准六方凸起 [7]、凝胶急剧收缩过程中的竹节状条纹等图案 [8] .本文首次报道了凝胶的螺旋状图案 .Fig.1　 Typical Bamboo-like patterns formed in hydrogelshrinking after immersed…     

如何浏览Internet上的化学信息资源

作为一个普通的化学工作者如何浏览Internet的上化学信息资源呢?笔者通过学习和实践,总结了几种方法。     

局部网格生成中初始探索圆半径的搜索算法

无网格不一致性的基于节点的局部网格生成(NLMG)算法是基于节点的局部有限元方法(NLFEM)实现无缝连接的核心算法之一,而快速合理的确定中心节点的初始探索圆半径是降低NLMG算法计算量和确保其可靠性的关键一步。本文提出了基于均匀桶的快速局部搜索算法(UBFLSM),并将其成功应用于NLMG算法,解决了初始探索圆半径和探索圆半径优化后候选卫星点集的确定这两个难点,确保NLMG算法无网格不一致性。并/串行数值试验(实现从网格生成到总刚度矩阵生成之间的无缝连接)均表明,该算法是快速及可靠的。     

SUBSPACE SEARCH METHOD FOR A CLASS OF LEAST SQUARES PROBLEM

1. IntroductionNow the least squares problem is considered as follows:1Mid r(x,y) ~ SllAx By ~ bll' s.t. x 2 0 (1.1)where A E Rm",, B E R"q, and b E Re are given constant matrices and vectors,respectively.These problems arise in many areas of applications, such as scientific and engineering computing, physics, statistics, flited curve, economic, mathematical programming,social science, and as a component part of some large computation problem, as anexample, a nonlinear least squares pr…     

酒香型光谱分析和模式识别计算分析

白酒是一个复杂的混合物体系,它含有大量的微量成分,这些微量成分直接决定了白酒的品质、口感和香型。为实现对白酒香型的快速鉴别,可采集不同香型白酒的红外光谱图,并将其作为模式分类方法的输入模式,建立白酒香型鉴别模型。首次全面系统地介绍了白酒香型模式识别算法,这些算法包括统计分类器(线性判别函数、二次判别函数、正则判别分析、K近邻算法)、原型学习算法(学习矢量量化)、支持向量机和AdaBoost算法。实验结果表明,基于红外光谱的白酒香型检测模式识别算法达到了很高的分类准确率、识别率和拒绝率,显示出了很好的性能。     

Prediction-correction method with BB step sizes

In the prediction-correction method for variational inequality (VI) problems, the step size selection plays an important role for its performance. In this paper, we employ the Barzilai-Borwein (BB) strategy in the prediction step, which is efficient for many optimization problems from a computational point of view. To guarantee the convergence, we adopt the line search technique, and relax the conditions to accept the BB step sizes as large as possible. In the correction step, we utilize a longer step length to calculate the next iteration point. Finally, we present some preliminary numerical results to show the efficiency of the algorithms.     

Wrinkle patterns of anisotropic crystal films on viscoelastic substrates

This paper presents a nonlinear mathematical model for evolution of wrinkle patterns of an anisotropic crystal film on a viscoelastic substrate layer. The underlying mechanism of wrinkling has been generally understood as a stress-driven instability. Previously, theoretical studies on wrinkling have assumed isotropic elastic properties for the film. Motivated by recent experimental observations of ordered wrinkle patterns in single-crystal thin films, this paper develops a theoretical model coupling anisotropic elastic deformation of a crystal film with viscoelastic deformation of a thin substrate layer. A linear perturbation analysis is performed to predict the onset of wrinkling instability and the initial evolution kinetics. An energy minimization method is adopted to analyze wrinkle patterns in the equilibrium states. For a cubic crystal film under an equi-biaxial compression, orthogonally ordered wrinkle patterns are predicted in both the initial stage and the equilibrium state. This is confirmed by numerical simulations of evolving wrinkle patterns. By varying the residual stresses in the film, numerical simulations show that a variety of wrinkle patterns (e.g., orthogonal, parallel, zigzag, and checkerboard patterns) emerge as a result of the competition between material anisotropy and stress anisotropy.     

Two-phase flow pattern identification using continuous hidden Markov model

This paper presents a new method for identifying two-phase flow regimes from the instantaneous local fluid phase signals using continuous hidden Markov model (CHMM). CHMM is known to be a very strong pattern identifier. Air–water two-phase flows were realized in a transparent vertical tube. The tube length was 2 m, and its inner diameter was 19 mm. The instantaneous local fluid phase signals were collected using a single step index multimode optical fiber probe located at the center and mid-length of the tube. Signal features required in CHMM implementation were extracted using an innovative method. Various aspects of hidden Markov modeling and their effects on the results were studied. The flow pattern results are in very good agreement with photographs of the flow captured during the experiments. In sum, the results show that hidden Markov model has a good potential in identifying two-phase flow patterns.     

NMR碳谱谱峰检索系统

介绍了核磁共振(NMR)碳谱谱峰检索系统的程序设计原理、系统流程框图、检索比较算法和主要显示界面．系统数据库包含化合物核磁共振碳谱4万多张,能够根据未知物¹³C NMR波谱的谱峰个数及其化学位移值进行检索．结果得到未知化合物的有关信息及其标准波谱图．系统还允许用户将本专业的一些常用化合物的标准谱的信息以及图谱添加进数据库以供日后查询．     

Variational principles in elasticity with nonlinear stress-strain relation

Since 1979, a series of papers have been published concerning the variational principles and generalized variational principles in elasticity such as [1] (1979), [6] (1980), [2,3] (1983) and [4,5] (1984). All these papers deal with the elastic body with linear stress-strain relations. In 1985, a book was published on generalized variational principles dealing with some nonlinear elastic body, but never going into detailed discussion. This paper discusses particularly variational principles and generalized variational principles for elastic body with nonlinear stress-strain relations. In these discussions, we find many interesting problems worth while to pay some attention. At the same time, these discussions are also instructive for linear elastic problems. When the strain is small, the high order terms may be neglected, the results of this paper may be simplified to the well-known principles in ordinary elasticity problems.