Structures and spectroscopic properties of nonperipherally and peripherally substituted metal-free phthalocyanines: a substitution effect study based on density functional theory calculations

The molecular structures, molecular orbitals, atomic charges, electronic absorption spectra, and infrared (IR) and Raman spectra of a series of substituted metal-free phthalocyanine compounds with four (1, 3, 5, 7) or eight (2, 4, 6, 8) methoxyl (1, 2, 5, 6) or methylthio groups (3, 4, 7, 8) on the nonperipheral (1-4) or peripheral positions (5-8) of the phthalocyanine ring are studied by density functional theory (DFT) and time-dependent DFT (TD-DFT) calculations. The calculated structural parameters and simulated electronic absorption and IR spectra are compared with the X-ray crystallography structures and the experimentally observed electronic absorption and IR spectra of the similar molecules, and good agreement between the calculated and experimental results is found. The substitution of the methoxyl or methylthio groups at the nonperipheral positions of the phthalocyanine ring has obvious effects on the molecular structure and spectroscopic properties of the metal-free phthalocyanine. Nonperipheral substitution has a more significant influence than peripheral substitution. The substitution effect increases with an increase in the number of substituents. The methylthio group shows more significant influence than the methoxyl group, despite the stronger electron-donating property of the methoxyl group than the methylthio group. The octa-methylthio-substituted metal-free phthalocyanine compounds have nonplanar structures whose low-lying occupied molecular orbitals and electronic absorption spectra are significantly changed by the substituents. The present systematical study will be helpful for understanding the relationship between structures and properties in phthalocyanine compounds and designing phthalocyanines with typical properties.     

复杂系统故障预测与健康管理(PHM)技术研究

目前PHM技术存在应用范围小,适用技术开发少的问题,限制其在普通民用设备中的推广应用,为扩大PHM技术的应用范围,提高复杂系统的经济可承受性,在深入研究PHM技术的概念和内涵的基础上,针对复杂系统的具体特点,分析了PHM技术推广应用的重大意义和存在问题;通过归纳总结,得出PHM应用于复杂系统的方法和流程,从建模角度提出基于PHM的故障预测模型设计的基本思路,为复杂系统的开发研制和维修保障应用PHM技术提供理论基础和支持.     

Examining different types of collaborative learning in a complex computer-based environment: A cognitive load approach

This study compared the effects of two collaborative learning strategies (Open-ended and Task-based) with an individualized learning strategy on individual learning in a computer-based environment. The experiment sought ecological validity by conducting it under real teaching and homework conditions. Ninety-four students from grade 9 participated in a webpage design task. Cognitive load theory was used to predict that the collaborative approaches would outperform the individualized approach due to reduced cognitive load. This hypothesis was confirmed by performance scores and cognitive load only in the case of the Open-ended collaborative learning condition. Evidence was also found that the Open-ended collaborative learning condition outperformed the Task-based collaborative one. It was concluded that in collaborative learning a more Open-ended task design together with moderate independent sub-task requirements leads to more effective learning.     

Hebbian-based neural networks for bottom-up visual attention and its applications to ship detection in SAR images

This paper proposes a bottom-up attention model based on pulsed Hebbian neural networks. The salience of the visual input can be generated through the networks using a simple normalization process, which can be calculated rapidly. Moreover, visual salience in this model can be represented as binary codes that mimic neuronal pulses in the human brain. Experimental results on psychophysical patterns and eye fixation prediction for natural images prove the effectiveness and efficiency of the model. In an arduous task of detecting ships in synthetic aperture radar (SAR) images, there are large amounts of data to be processed in real time. As a fast and effective technique for saliency detection, the proposed model is applied to ship detection in SAR images and its robustness against speckles is further proved.     

High sensitive and selective formaldehyde sensors based on nanoparticle-assembled ZnO micro-octahedrons synthesized by homogeneous precipitation method

Nanoparticle-assembled ZnO micro-octahedrons were synthesized by a facile homogeneous precipitation method. The ZnO micro-octahedrons are hexagonal wurtzite with high crystallinity. Abundant structure defects were confirmed on ZnO surface by photoluminescence. Gas sensors based on the ZnO micro-octahedrons exhibited high response, selectivity and stability to 1–1000 ppm formaldehyde at 400 °C. Especially, even 1 ppm formaldehyde could be detected with high response (S = 22.7). It is of interest to point out that formaldehyde could be easily distinguished from ethanol or acetaldehyde with a selectivity of about 3. The high formaldehyde response is mainly attributed to the synergistic effect of high contents of electron donor defects (Zn_i and V_O) and highly active oxygen species (O²⁻) on the ZnO surface.     

Robust finite-time boundedness of multi-agent systems subject to parametric uncertainties and disturbances

In this paper, we consider finite-time control problems for linear multi-agent systems subject to exogenous constant disturbances and impulses. Some sufficient conditions are obtained to ensure the finite-time boundedness of the multi-agent systems, which could be then reduced to a feasibility problem involving linear matrix inequalities. Numerical examples are given to illustrate the results.     

爆炸冲击条件下的加速度传感器结构分析

针对加速度传感器在爆炸与冲击测试中的应用,从理论与有限元仿真出发,分析传感器结构的静态响应与冲击响应.在15.4×104gn的静态载荷下,传感器结构最大应力超过材料的许用应力,将会发生结构断裂.在静态载荷下,加速度传感器在15.4×104gn的冲击加速度载荷下结构最大应力超过材料的许用应力,将会发生结构断裂.在加速度传感器的工作方向上施加幅值为15×104gn,半周期为5μs、10μs、20μs、30μs、40μs的半正弦加速度冲击载荷.在幅值为15×104gn、半周期为30μs的冲击载荷下,传感器的固定端处应力为334MPa,将会使传感器断裂失效.在幅值为15×104gn、半周期为5μs、10μs、20μs的冲击载荷下,固定端处应力超过材料许用应力,将也会发生结构断裂.悬臂梁在半周期为5μs、10μs、20μs的冲击下,将会出现断裂.大体上,冲击载荷的周期越小,固定端的应力越大集中越严重.由于传感器固有周期为9.5μs,加速度传感器在半周期为10μs的冲击载荷下出现谐振,固定端处应力变大集中加剧.分析加速度传感器在冲击载荷下的结构响应为传感器的结构设计与具体应用时的可靠性分析提供了理论依据.     

基于GSM的汽车防盗报警器设计

介绍了一种基于GSM的小型汽车防盗器.防盗器以STC 12LE5402AD芯片为主控制器,以SIM900B为GSM模块,通过检测汽车异常的启动信号,以给车主打电话的方式实现远程防盗功能.该防盗器体积小、成本低、无需安装、无噪音污染,易于推广.     

CAPPFramework工程化实施研究

ＣＡＰＰ应用框架与开发平台（ＣＡＰＰＦｒａｍｅｗｏｒｋ）是一个以面向对象ＣＡＰＰ知识库系统为核心的通用交互式ＣＡＰＰ应用支撑软件。ＣＡＰＰＦｒａｍｅｗｏｒｋ的实施已成为ＣＡＰＰＦｒａｍｅｗｏｒｋ推广应用的关键,这是由工艺设计问题的特性所决定的。文章对ＣＡＰＰＦｒａｍｅｗｏｒｋ实施的工程化管理进行研究,建立了ＣＡＰＰＦｒａｍｅｗｏｒｋ实施质量保证体系,以提高ＣＡＰＰＦｒａｍｅ－ｗｏｒｋ应用系统的工程化程度。