Computerized IR Determination of Structural Group Composition for High-Boiling Oil Fractions

A computerized form is given of IR spectral determination for structural group composition in high-boiling oil fractions by Berthold's method (7 structural elements) and Kuklinskii's method (28 structural elements), which reduces the analysis time by factors of 3–4 and improves the accuracy.     

聚合物熔体的非等温平板收缩流动的数值模拟

用有限元法模拟了Carreau流体在4：1平板收缩口模中的非等温挤出流动，采用3节点的三角形单元对速度、压力和温度进行等阶插值，运用特殊的罚函数处理流体的不可压缩条件，解决了压力场的数值振荡问题，并用改进的Newton迭代法对非线性方程进行求解，成功地计算了Carreau流体在平板收缩流动中的速度、压力、粘度以及应力的分布，同时得到温度场的分布，计算的应力分布与实验的结果及Renardy的分析结构相符。     

WAVE INTERACTION WITH PERFORATED CAISSON BREAKWATERS

The reflection coefficient of perforated caissons and the total horizontal forces acting on them were experimentally and numerically analyzed and discussed when wave propagates normally. To consider the viscosity effect of fluid and nonlinear action of waves on structures, the VOF (Volume Of Fluid) method combined with the k-ε turbulence model was used to simulate the interaction between waves and structures. Governing equations were solved with the finite difference method. Through 2D experimental study in the wave flume, the empirical relationship between the reflection coefficient of perforated caissons and the main affecting factors were obtained from the experimental data using the least square method. Also the correlation between the ratio of the total horizontal force acting on perforated caisson and the force acting on solid caisson and the main affecting factors were regressed from the experimental data.     

Field Static Load Test on Kao-Ping-Hsi Cable-Stayed Bridge

Field load testing is an effective method for understanding the behavior and fundamental characteristics of a cable-stayed bridge. This paper presents the results of field static load tests on the Kao-Ping-Hsi cable-stayed bridge, the longest cable-stayed bridge in Taiwan, before it was open to traffic. A total of 40 loading cases, including the unit and distributed bending and torsion loading effects, were conducted to investigate the bridge behavior. The atmospheric temperature effect on the variations of the main girder deflections was also monitored. The results of static load testing include the main girder deflections, the flexural strains of the prestressed concrete girder, and the variations of the cable forces. A three-dimensional finite-element model was developed. The results show that the bridge under the planned load test conditions has linear superposition characteristics and the analytical model shows a very good agreement with the bridge responses. Further discussion of deflection and cable forces of the design specifications for a cable-stayed bridge is also presented.     

求解二维结构-声耦合问题的一种直接方法

本文基于传递矩阵法(TMM)和虚拟边界元法(VBEM)，提出了一种求解在谐激励作用下二维结构-声耦合问题的直接法。文中对任意形状的二维弹性环建立了一阶非齐次运动微分方程组，便于用齐次扩容精细积分法求解，对于含有任意形状孔穴的无穷域流体介质的Helmholtz外问题，采用复数形式的Burton-Miller型组合层势法建立了虚拟边界元方程，保证了声压在全波数域内存在唯一解。根据叠加原理并结合最小二乘法，提出了一种耦合方程的直接解法，由于该方法不存在迭代过程，因而具有较高的计算精度和效率。文中给出了二个典型弹性环在集中谐激励力作用下声辐射算例，计算结果表明本文方法较通常采用的混合FE／BE法更为有效。     

水利项目评价指标赋权模型的建立及其应用

提出了用于水利项目方案评价的方法——基于相对最优方案的指标赋权模型,介绍了该方法的基本原理,建立了综合考虑保证出力、年发电量、单位千瓦投资等因素的基于相对最佳方案的指标赋权模型,并用实例加以说明,与模糊优选神经网络模型的评价结果相对比,研究表明该模型适合于水利项目方案的评价和优选。     

水量还原方法及合理性检查

文中详细地阐述了取河水、井水、水库水、跨流城引(排)水等不同情况进行还原的具体方法步骤。并对水量还原成果提出合理性检查措施。     

Quantitative pharmacophore models with inductive logic programming

Three-dimensional models, or pharmacophores, describing Euclidean constraints on the location on small molecules of functional groups (like hydrophobic groups, hydrogen acceptors and donors, etc.), are often used in drug design to describe the medicinal activity of potential drugs (or ‘ligands’). This medicinal activity is produced by interaction of the functional groups on the ligand with a binding site on a target protein. In identifying structure-activity relations of this kind there are three principal issues: (1) It is often difficult to “align” the ligands in order to identify common structural properties that may be responsible for activity; (2) Ligands in solution can adopt different shapes (or `conformations’) arising from torsional rotations about bonds. The 3-D molecular substructure is typically sought on one or more low-energy conformers; and (3) Pharmacophore models must, ideally, predict medicinal activity on some quantitative scale. It has been shown that the logical representation adopted by Inductive Logic Programming (ILP) naturally resolves many of the difficulties associated with the alignment and multi-conformation issues. However, the predictions of models constructed by ILP have hitherto only been nominal, predicting medicinal activity to be present or absent. In this paper, we investigate the construction of two kinds of quantitative pharmacophoric models with ILP: (a) Models that predict the probability that a ligand is “active”; and (b) Models that predict the actual medicinal activity of a ligand. Quantitative predictions are obtained by the utilising the following statistical procedures as background knowledge: logistic regression and naive Bayes, for probability prediction; linear and kernel regression, for activity prediction. The multi-conformation issue and, more generally, the relational representation used by ILP results in some special difficulties in the use of any statistical procedure. We present the principal issues and some solutions. Specifically, using data on the inhibition of the protease Thermolysin, we demonstrate that it is possible for an ILP program to construct good quantitative structure-activity models. We also comment on the relationship of this work to other recent developments in statistical relational learning. Editors: Tamás Horváth and Akihiro Yamamoto     

光折变三维信息存储器

分析光折变三维存储器的机理,探讨了光折变三维存储器的编码方式、光折变材料的选择及存储技术,阐述了其产业化进程.     

Computational analysis of thin coating layer failure using a cohesive model and gradient plasticity

Thermal barrier coatings (TBC) are widely used to prevent transient high temperature attack and allow components high durability. Due to strong inhomogeneous material properties the TBC failure often initiates near the interface between the brittle oxide layer and the ductile substrate. A reliable prediction of the TBC failure requires detailed information about the crack tip field and the consequent fracture criteria. In the present paper both cohesive model and gradient plasticity are used to simulate the failure process and to study interdependence of the interface stress distribution with the specific fracture energies. Computations confirm that combination of the two models is able to simulate different failure mechanisms in the TBC system. The computational model has the potential to give a realistic prediction of the crack propagation process.