GS-221高速摄影测量仪测角信息的采集与处理

在GS-221高速摄影测量仪中,测角信息采集与处理速度的快慢是重要性能指标之一。本文讨论了如何在尽可能短的时间内对测角信息进行采集和处理的软件实现方法。     

A density functional theory computational study of the role of ligand on the stability of CuI and CuII species associated with ATRP and SET‐LRP

Atom transfer radical polymerization (ATRP) and single electron‐transfer living radical polymerization (SET‐LRP) both utilize copper complexes of various oxidation states with N‐ligands to perform their respective activation and deactivation steps. Herein, we utilize DFT (B3YLP) methods to determine the preferred ligand‐binding geometries for Cu/N‐ligand complexes related to ATRP and SET‐LRP. We find that those ligands capable of achieving tetrahedral complexes with Cu^I and trigonal bipyramidal with axial halide complexes with [Cu^IIX]⁺ have higher energies of stabilization. We were able to correlate calculated preferential stabilization of [Cu^IIX]⁺ with those ligands that perform best in SET‐LRP. A crude calculation of energy of disproportionation revealed that the same preferential binding of [Cu^IIX]⁺ results in increased propensity for disproportionation. Finally, by examining the relative energies of the basic steps of ATRP and SET‐LRP, we were able to rationalize the transition from the ATRP mechanism to the SET‐LRP mechanism as we transition from typical nonpolar ATRP solvents to polar SET‐LRP solvents. © 2007 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 45: 4950–4964, 2007     

从结构电算谈设计概念

使用计算机进行结构设计虽然能大大减轻计算工作量，但不能取代人的设计概念，只有在设计人员具备较全面的设计概念；有一定设计经验；同时深入了解程度的情况下，才能确保工程设计的质量。     

胶体颗粒大小的分布——Ⅱ.物理显影中胶体催化剂颗粒大小的分布函数

本文用对数正态分布对物理显影中常用的Au、Ag及Ag_2s胶体催化剂的颗粒大小的实验分布进行了拟合。理论分布与实验分布的比较表明:本实验条件下制备的十二组胶体溶液其颗粒大小都服从了对数正态分布,并且不依赖于胶体的组成、大小及制备方法。因此,它们很可能遵从了同样的成核成长规律。     

A hybrid finite-element–volume-of-fluid method for simulating free surface flows and interfaces

A numerical technique is developed for the simulation of free surface flows and interfaces. This technique combines the strength on the finite element method (FEM) in calculating the field variables for a deforming boundary and the versatility of the volume-of-fluid (VOF) technique in advection of the fluid interfaces. The advantage of the VOF technique is that it allows the simulation of interfaces with large deformations, including surface merging and breaking. However, its disadantage is that is solving the flow equations, it cannot resolve interfaces smaller than the cell size, since information on the subgrid scale is lost. Therefore the accuracy of the interface reconstruction and the treatment of the boundary conditions (i.e. viscous stresses and surface tension forces) become grid-size-dependent. On the other hand, the FEM with deforming interface mesh allows accurate implementation of the boundary conditions, but it cannot handle large surface deformations occurring in breaking and merging of liquid regions. Combining the two methods into a hybrid FEM-VOF method eliminates the major shortcomings of both. The outcome is a technique which can handle large surface deformations with accurate treatment of the boundary conditions. For illustration, two computational examples are presented, namely the instability and break-up of a capillary jet and the coalescence collision of two liquid drops.     

三级近似束流光学计算程序

为了精确计算束流在离子光学系统中的传输,用Visual FORTRAN 6.5语言编写了一个计算程序,长约13000行. 此程序可以计算由三圆筒单透镜、三膜片单透镜、双元筒透镜、均匀场静电加速管、磁四极透镜、六极磁铁、静电四极透镜、偏转磁铁、螺线管透镜、ExB~正交电磁场分析器、静电偏转器、漂浮管、QWR(Quarter Wave Resonators)和SLR(Split Loop Resonators)射频加速元件等元件任意组成的离子光学系统. 粒子轨迹的计算可精确到三级近似. 粒子的分布类型也可以有多种选择. 程序具有最优化计算功能,即可以自动调整元件的参数,以实现所需要的光学条件. 各元件之后的横向和纵向相图以及系统的束流包络线以图形方式显示在屏幕上.     

Structural anisotropy in friction‐deposited layers of polystyrene

Friction‐deposited layers of atactic polystyrene (PS) on inert and OH‐grafted gold substrates were the subject of this study to establish a relationship between the friction process and the resulting anisotropy of the transferred polymer chains. We show, by using polarization‐modulation infrared reflection‐absorption spectroscopy that the deposited PS chains involve an anisotropy in which PS main backbone is rather perpendicular to the friction support, fact that is surprising when compared with the majority of polymers where the anisotropy is along the sliding direction. Moreover, our calculation of the orientation angles revealed that PS chains are more perpendicular in the transferred layers than in spin‐coated films. This particular anisotropy is probably due to a parallel reorientation of the phenyl ring on the friction support whatever the surface chemistry is. On the other hand, this study was useful to rectify the assignment of infrared bands unclearly reported in the literature. © 2006 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 44: 3272–3281, 2006     

Electrical properties of polypyrrole/p‐InP structure

The polypyrrole/p‐InP structure has been fabricated by the electrochemical polymerization of the organic polypyrrole onto the p‐InP substrate. The current–voltage (I–V), capacitance–voltage (C–V), and capacitance–frequency (C–f) characteristics of the PPy/p‐InP structure have been determined at room temperature. The structure showed nonideal I–V behavior with the ideality factor and the barrier height 1.48 and 0.69 eV respectively. C–f measurements of the structure have been carried out using the Schottky capacitance spectroscopy technique and it has been seen that there is a good agreement between the experimental and theoretical values. Also, it has been seen that capacitance almost show a plateau up to a certain value of frequency, after which, the capacitance decreases. The higher values of capacitance at low frequencies were attributed to the excess capacitance resulting from the interface states in equilibrium with the p‐InP that can follow the a.c. signal. The interface state density N_ss and relaxation time τ of the structure were determined from C–f characteristics. © 2006 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 44: 1572–1579, 2006     

Convergent Star Product Algebras on ‘ax+b’

We define nontempered (exponential growth) function spaces on the Lie group ax+b which are stable under some left-invariant (convergent) star product. The techniques used to achieved the latter come from symmetric spaces geometry and star representation theory.     

基于界面跟踪方法的汽蚀模型和算法的有效性验证

针对两相附着汽蚀流动机理,基于界面跟踪方法发展了新的汽蚀模型和算法。所发展的汽蚀模型和算法不仅考虑了液相／气相界面处的压力差,而且考虑了耦合Reynolds-Averaged Navier-Stokes方程求解技术得到的流场压力梯度信息来迭代计算附着汽蚀形状。采用具有试验数据的半球形头部圆柱体汽蚀绕流作为算例来验证所提出的汽蚀模型和算法的有效性。采用不同的网格数和松弛因子数值验证了发展的汽蚀模型和算法的有效性。三种汽蚀数下的数值计算结果得到的压力系数分布与试验数据完全吻合。结果表明所提出的汽蚀模型和算法能够准确模拟出汽蚀发生点和汽蚀长度。