Multiphoton ionization and ab initio calculation studies of pyridine-water mixed clusters using time of flight mass spectrometer

Multiphoton ionization of binary mixed clusters (C5H5N)(x)-(H2O)(y) at 532, 355 and 266 nm laser wavelengths has been investigated using TOF mass spectrometer. The experiments showed that almost all the products were protonated ions, At 532 and 355 nm, the products were mainly protonated pyridine clusters (C5H5N)(n)-H+, while at 266 nm, mixed binary cluster ions (C5H5N)(m)- (H2O)(n)-H+ appeared. It was found that the abundance of the [(C5H5N)(3)-H2O-H](+) ions was abnormally high. The calculation indicated that the ion [(C5H5N)(3)-H2O-H](+) is Of a kind of magic number structures with C-3v symmetry. A stepwise reaction mechanism is suggested that photoionization is followed by dissociation. (C) 2001 Elsevier Science B.V. All rights reserved.

基于逻辑"或"约束优化的实时系统设计

标准约束优化问题的等式或不等式约束之间是逻辑“与”关系，目前已经有很多高效、收敛的优化算法．但是，在实际应用中有很多更一般的约束优化问题，其等式或不等式约束之间不仅包含逻辑“与”关系，而且还包含逻辑“或”关系，现有的针对标准约束优化问题的各种算法不再适用，给出一种新的数学变换方法，把具有逻辑“或”关系的不等式约束转换为一组具有逻辑“与”关系的不等式，并应用到实时单调速率调度算法的可调度性判定充要条件中，把实时系统设计表示成混合布尔型整数规划问题，利用经典的分支定界法求解．实验部分指出了各种方法的优缺点．

任务分配问题的建模与求解

建立了极大极小任务分配问题的混合整数线性规划模型,提出一种矩阵作业解答,并与穷举解及混合整数线性规划解的计算复杂度进行了比较.理论分析和数值试验表明矩阵作业法对两类任务分配问题,极大极小和总体极小任务分配问题,有效地提供最优解.

多目标追逐问题的一种混合整数线性规划解

研究多车辆多目标追逐的路径规划问题。提出两个基于混合整数线性规划(Mixed integer linear programming,MILP)的多目标追逐(Multi-target pursuit,MTP)模型:就近追逐和"一对一"使能追逐。在两个MIP追逐模型中,小车运动的状态方程考虑为具有线性阻尼的质点动力学方程。采用整数变量描述小车与障碍物的相对位置信息,提出"目标膨胀尺寸"的概念来描述对目标的追逐,定义小车的"追逐方向"。采用选取整变量的等高面法求解MILP追逐问题,并给出初始内点整变量的确定方法。最后给出仿真试验1对两个多目标追逐模型进行对比研究,仿真试验2证实了算法的效率。

双机械臂协调系统的一类最优轨迹规划方法

基于动力学约束的机械臂最优关节轨迹规划

本文提出了基于机械臂关节驱动力矩约束方程规划其关节最优运动轨迹的一种有效方法.该方法运用矩阵范数理论简化机械臂的动力学约束方程;在机械臂的关节空间内采用归一化的无因次量运用非线性规划法优化其运动轨迹.将所规划的无因次量轨迹方程作为机械臂产生实际运动轨迹的发生器,通过给定机械臂各运动段的起始和终止关节坐标,由系统的动力学约束方程计算出整个运动段所允许的最短运行时间,即生成所期望的运动轨迹.本文的轨迹规划方法计算效率高,可用于在线轨迹规划,文中通过算例证实了该方法的实用性.

Evolution induced catastrophe in a nonlinear dynamical model of material failure

In order to study the failure of disordered materials, the ensemble evolution of a nonlinear chain model was examined by using a stochastic slice sampling method. The following results were obtained. (1) Sample-specific behavior, i.e. evolutions are different from sample to sample in some cases under the same macroscopic conditions, is observed for various load-sharing rules except in the globally mean field theory. The evolution according to the cluster load-sharing rule, which reflects the interaction between broken clusters, cannot be predicted by a simple criterion from the initial damage pattern and even then is most complicated. (2) A binary failure probability, its transitional region, where globally stable (GS) modes and evolution-induced catastrophic (EIC) modes coexist, and the corresponding scaling laws are fundamental to the failure. There is a sensitive zone in the vicinity of the boundary between the GS and EIC regions in phase space, where a slight stochastic increment in damage can trigger a radical transition from GS to EIC. (3) The distribution of strength is obtained from the binary failure probability. This, like sample-specificity, originates from a trans-scale sensitivity linking meso-scopic and macroscopic phenomena. (4) Strong fluctuations in stress distribution different from that of GS modes may be assumed as a precursor of evolution-induced catastrophe (EIC).

An Efficient Front-Tracking Method For Fully Nonlinear Interfacial Waves

A fully nonlinear and dispersive model within the framework of potential theory is developed for interfacial (2-layer) waves. To circumvent the difficulties arisen from the moving boundary problem a viable technique based on the mixed Eulerian and Lagrangian concept is proposed: the computing area is partitioned by a moving mesh system which adjusts its location vertically to conform to the shape of the moving boundaries but keeps frozen in the horizontal direction. Accordingly, a modified dynamic condition is required to properly compute the boundary potentials. To demonstrate the effectiveness of the current method, two important problems for the interfacial wave dynamics, the generation and evolution processes, are investigated. Firstly, analytical solutions for the interfacial wave generations by the interaction between the barotropic tide and topography are derived and compared favorably with the numerical results. Furthermore simulations are performed for the nonlinear interfacial wave evolutions at various water depth ratios and satisfactory agreement is achieved with the existing asymptotical theories. (c) 2008 Elsevier Inc. All rights reserved.

A 1,000 Frames/s Programmable Vision Chip with Variable Resolution and Row-Pixel-Mixed Parallel Image Processors

A programmable vision chip with variable resolution and row-pixel-mixed parallel image processors is presented. The chip consists of a CMOS sensor array, with row-parallel 6-bit Algorithmic ADCs, row-parallel gray-scale image processors, pixel-parallel SIMD Processing Element (PE) array, and instruction controller. The resolution of the image in the chip is variable: high resolution for a focused area and low resolution for general view. It implements gray-scale and binary mathematical morphology algorithms in series to carry out low-level and mid-level image processing and sends out features of the image for various applications. It can perform image processing at over 1,000 frames/s (fps). A prototype chip with 64 x 64 pixels resolution and 6-bit gray-scale image is fabricated in 0.18 mu m Standard CMOS process. The area size of chip is 1.5 mm x 3.5 mm. Each pixel size is 9.5 mu m x 9.5 mu m and each processing element size is 23 mu m x 29 mu m. The experiment results demonstrate that the chip can perform low-level and mid-level image processing and it can be applied in the real-time vision applications, such as high speed target tracking.

Multiphoton ionization of pyrrole-water mixed clusters

Multiphoton ionization of the hydrogen,bonded pyrrole-water clusters (C4H5N)(n)(H2O)(m) is studied with a reflectron-time of flight mass spectrometer at 355 mn. With increasing partial concentration of pyrrole in a gas mixture source, a series of poly-pyrrole-water binary-mixed cluster ions can be observed, including unprotonated cluster ions [(C4H5N)(x)(H2O)(y)](+), protonated cluster ions [(C4H5N)(x)(H2O)(y)](+) and dehydrogenated cluster ions [(C4H4N)(C4H5N)(x)(H2O)(y)](+). Ab initio calculations of their structures, bond strengths, charge distributions and reaction energies are carried out. Stable structures of these clusters are obtained from the calculations. A probable formation mechanism of the cluster ions [(C4H5N)(x)(H2O)(y)](+), [(C4H5N)(x)(H2O)(y)]H+ and [(C4H4N)(C4H5N)(x) (H2O)(y)](+) is supposed to be the ionization of clusters followed by dissociation.

Microphase Separation of Mixed Polymer Brushes: Dependence of the Morphology on Grafting Density, Composition, Chain-Length Asymmetry, Solvent Quality, and Selectivity

Microphase separation of binary mixed A/B polymer brushes exposed to different solvents is studied using Single-Chain-in-Mean-Field simulations. Effects of solvent quality and selectivity, grafting density, composition, and chain-length asymmetry are systematically investigated, and diagrams of morphologies in various solvents are constructed as a function of grafting density and composition or chain-length asymmetry. The structure of the microphase segregated morphologies lacks long-range periodic order, and it is analyzed quantitatively Using Minkowski measures.

pH-potentiometric study on rare earths and calcium binary and ternary complexes with DL-malic acid and L-hydroxyproline

The stability constants of M-L binary system and M-L-L' (M = La3+ similar to Yb3+, Y3+ and Ca2+; L= DL-malic aicd, L' = L-hydroxyproline) ternary system were determined by pH-(0)-tentiometric method under the simulating physiological condition(37 degrees C, I=0.15 mol/L NaCl). The complex species MpLqLr'H-s(abbr as pqrs) in the sytems were ascertained by program COMPLEX. The results show that there are three species(1101, 1100 and 1200) in M-L binary system and one species(1010) in M-L' binary system. In addition to the above four species, a new species, 1112 was found in the M-L-L' ternary system, which is the only species of mixed ligands. Rare earth ions form more stable complexes than calcium ion does and the stability differences between their complexes in the ternary system are less than that in the binary system. The distributions of all the species in La-L-L' ternary system vs pH are discussed.

Study on binary system comprising a non-mesogen and a mesogen

Mixed liquid crystal formation has been studied in a new binary system comprising paranitroazobenzene derivatives, in which one component was a mesogen and the other was a non-mesogen. The mixtures were found to exhibit a monotropic nematic phase which was converted to an enantiotropic phase in specific ranges of temperature and concentration. The latent liquid crystal-isotropic transition temperature (LTP) of the non-mesogen was obtained by using the extrapolation method of the transition temperature-composition curve and the equal-G analysis method. The LTPs of the non-mesogen obtained by the above two methods showed good agreement with each other. The low-temperature transition of the mixtures detected by DSC was attributed to a change of the crystallite size.

A new method for the estimation of oceanic mixed-layer depth using shipboard X-band radar images

Shipboard X-band radar images acquired on 24 June 2009 are used to study nonlinear internal wave characteristics in the northeastern South China Sea. The studied images show three nonlinear internal waves in a packet. A method based on the Radon Transform technique is introduced to calculate internal wave parameters such as the direction of propagation and internal wave velocity from backscatter images. Assuming that the ocean is a two-layer finite depth system, we can derive the mixed-layer depth by applying the internal wave velocity to the mixed-layer depth formula. Results show reasonably good agreement with in-situ thermistor chain and conductivity-temperature-depth data sets.

Algorithm Studies on How to Obtain a Conditional Nonlinear Optimal Perturbation (CNOP)

The conditional nonlinear optimal perturbation (CNOP), which is a nonlinear generalization of the linear singular vector (LSV), is applied in important problems of atmospheric and oceanic sciences, including ENSO predictability, targeted observations, and ensemble forecast. In this study, we investigate the computational cost of obtaining the CNOP by several methods. Differences and similarities, in terms of the computational error and cost in obtaining the CNOP, are compared among the sequential quadratic programming (SQP) algorithm, the limited memory Broyden-Fletcher-Goldfarb-Shanno (L-BFGS) algorithm, and the spectral projected gradients (SPG2) algorithm. A theoretical grassland ecosystem model and the classical Lorenz model are used as examples. Numerical results demonstrate that the computational error is acceptable with all three algorithms. The computational cost to obtain the CNOP is reduced by using the SQP algorithm. The experimental results also reveal that the L-BFGS algorithm is the most effective algorithm among the three optimization algorithms for obtaining the CNOP. The numerical results suggest a new approach and algorithm for obtaining the CNOP for a large-scale optimization problem.