介质阻挡放电跃变升压模式下靶波斑图研究

在大气压氩气介质阻挡放电中,首次通过跃变外加电压得到了稳定的靶波斑图.实验分别研究了跃变再缓变和直接跃变升压模式下靶波斑图的稳定性和波长选择.研究发现,跃变再缓变升压之后得到的靶波斑图不稳定,其与螺旋波相互转换.在这种转换中,靶波每次出现的时间为几十毫秒.直接跃变升压得到的靶波斑图稳定性明显增强,其稳定时间通常为5 min以上.比较不同升压模式下靶波斑图的波长,发现直接跃变升压模式下波长随电压升高减小较快.综上表明,升压模式对靶波斑图的稳定性和波长都有影响. 关键词： 介质阻挡放电 靶波斑图 跃变升压 缓变升压     

苯并氧化呋咱稳定性和异构化的DFT和ab initio研究

运用B3LYP/6-31G(d)密度泛函理论（DFT）方法对苯并氧化呋咱、邻二亚硝基苯及其间的异构化反应进行了计算研究。结果表明,苯并氧化呋咱的分子总能量比邻二亚硝基苯的低;由苯并氧化呋咱异构为邻二亚硝基苯的正向反应活化能（Ea+=51.0kJ/mol）,与文献实测值（58.6kJ/mol）较接近,而其逆向反应活化能（Ea-=4.6kJ/mol）很小,从而揭示了苯并氧化呋咱比邻二亚硝基苯更稳定·此外,进行了HF/3-21G、HF/6-31G(d)和MP2/6-31G(d)//6-31G(d)水平下相应的计算,发现B3LYP-DFT的结果较abinitio为优。谐振动频率的B3LYP/6-31G(d)计算还支持了邻二亚硝基苯为苯并氧化呋咱“自-自”互变重排反应的中间体。     

多光轴光学系统光轴平行度野外试验方法

基于激光测距的基本原理及激光能量分布情况，利用测距的方法进行对角度的测量，在野外全系统工作状态下，实现了多光轴系统平行度的测试，并对该方法的测试精度进行了分析。     

非共轴激光雷达几何因子分析与测量

介绍了非共轴激光雷达几何因子的物理意义,分别通过理论分析和试验测量给出了求解几何因子的方法。结合自行研制的CSY-1便携式能见度激光雷达,将两种方法得到的几何因子进行对比,讨论了系统参数对几何因子的影响,从而实现了对激光雷达系统优化设计的可能性。     

甲醇在γ-Al2O3,CeO2及其负载Pd催化剂上吸附和分解的原位红外光谱研究

利用原位傅里叶变换红外光谱 (FTIR)技术对甲醇在γ Al2 O3,CeO2 以及Pd/Al2 O3,Pd/CeO2 催化剂上的吸附和分解行为进行了研究。综合考虑了载体和活性组分的作用 ,分析了甲醇在不同载体负载Pd催化剂上可能的分解途径。在Pd/CeO2 催化剂上 ,活性组分和载体对甲醇分解的过程表现出了一种协同效应。     

Hierarchical nanowires for high-performance electrochemical energy storage

Nanowires are promising candidates for energy storage devices such as lithium-ion batteries, su- per（：apa.citors and lithium-air batteries. However, simple-structured nanowires have some limitations hence the strategies to make improvements need to be explored and investigated. Hierarchical nanowires with enhanced periormanee have been considered as an ideal candidate for energy storage due to the novel structures and/or synergistic properties. This review describes some of the recent progresses in the hierarchical nanowire merits, classification, synthesis and performance in energy storage applieat, ions. Herein we discuss the hierarchical nanowires based on their structural design from three major categories, including exterior design, interior design and aligned nanowire assembly. This review also briefly outlines the prospects of hierarchical nanowires in morphology control, property enhancement and application versatility.     

IPDA激光雷达数据反演快速精确优化算法

研究了积分路径差分吸收(IPDA)激光雷达中采用洛伦兹线型代替伏格特线型对机载平台探测CO₂柱浓度精度的影响。建立仿真模型,讨论两种线型在数据反演中对温度和气压的敏感性,以及探测相对误差变化随飞行高度的变化。结果表明：伏格特和洛伦兹线型得到的吸收截面,温度和气压敏感性,相对随机误差分别为0.860%,-0.703%和0.224%,基本没有差别,但是洛伦兹线型可以有效地提高光谱参数计算效率。机载IPDA激光雷达采用洛伦兹线型可以快速高精度反演飞行路径上CO₂柱浓度,降低了对系统计算能力的要求,有助于实现在飞期间数据实时反演和分析,以及实施针对突发事件的飞行规划,同时也有助于进一步实现机载激光雷达系统的小型化和集成化。     

用二级控制法对二维连续体进行形状优化

二级控制的意思是在自然设计变量和有限元网格节点之间加入设计单元,建立自然设计变量控制关键点坐标,关键点控制有限元网格节点,共两层控制关系。后一层控制关系借助有限元形函数描述设计单元,并引入相应的参数坐标,从而实现敏庋分析、结构形状变化的控制和网格的变动控制。本文使用二级控制理论有效地解决了二维连续体结构形状优化的一些困难,将形状优化问题处理成序列二次规划问题求解。使用MSC／PCL语言在MSC／Patran＆Nasntran平台上实现了优化模块的二次开发。本文设计思路的可行性和程序的有效性通过若干算例得到证实。     

Stereodivergent synthesis of enantioenriched azepino[3,4,5-cd]-indoles via cooperative Cu/Ir-catalyzed asymmetric allylic alkylation and intramolecular Friedel–Crafts reaction

The development of enantioselective annulation reactions using readily available substrates for the construction of structurally and stereochemically diverse heterocycles is a compelling topic in diversity-oriented synthesis. Herein, we report efficient catalytic asymmetric formal 1,3-dipolar (3 + 4) cycloadditions of azomethine ylides with 4-indolyl allylic carbonates for the construction of azepino[3,4,5-cd]-indoles fused with a challenging seven-membered N-heterocycle, a frequently occurring tricyclic indole scaffold in bioactive compounds and pharmaceuticals. Through cooperative Cu/Ir-catalyzed asymmetric allylic alkylation followed by intramolecular Friedel–Crafts reaction, an array of azepino[3,4,5-cd]-indoles were obtained in good yields with excellent diastereo-/enantioselective control. More importantly, the full stereodivergence of this transformation was established via synergistic catalysis followed by acid-promoted epimerization, and up to eight stereoisomers of the cycloadducts bearing three stereogenic centers could be predictably achieved from the same set of starting materials for the first time. Quantum mechanical computations established a plausible mechanism for the synergistic Cu/Ir catalysis to stereodivergently introduce two vicinal stereocenters whose stereochemical information is remotely delivered across the fused azepine ring to control the third chiral center. Epimerization of the last center involves protonation-enabled reversal of the thermodynamically controlled relative configuration.

A stereodivergent synthesis of azepino[3,4,5-cd]-indoles bearing three stereogenic centers was established via synergistic dual-metal catalysis followed by acid-promoted epimerization, and up to all eight stereoisomers could be predictably achieved.     

第三族金属氧化物离子对二氧化碳转化的红外光谱研究

本文利用红外光解离光谱研究了第三族金属氧化物离子对二氧化碳分子的转化机制. 研究表明,对于[ScO(CO₂)_n]⁺体系,在n≤4时,形成了溶剂化结构;在n=5时,形成了碳酸盐结构,实现了二氧化碳的转化. 对于[YO(CO₂)_n]⁺体系,需要4个二氧化碳分子就可以实现二氧化碳的转化. 而在[YO(CO₂)_n]⁺体系中,只发现了溶剂化结构,没有观察到碳酸盐结构. 理论计算表明,[YO(CO₂)_n]⁺体系拥有最小的溶剂化结构向碳酸盐结构转化能垒,[LaO(CO₂)_n]⁺体系拥有最大的溶剂化结构向碳酸盐结构转化能垒. 本文从分子水平揭示了不同金属氧化物离子对二氧化碳分子转化的影响规律.