适用于测量大气气溶胶吸收系数的光声光谱系统的研究

外部噪声和环境温湿度变化对光声池性能的影响是光声光谱技术在实际大气气溶胶吸收测量应用中遇到的主要问题。详细分析了环境温湿度变化引起的共振频率漂移对光声信号的影响,提出了抑制流动噪声和采样泵振动噪声的方法,研制完成了一套测量大气气溶胶吸收的光声光谱系统,探测极限为1.4×10-8 W·cm-1·Hz-1/2。利用NO₂气体在532 nm的吸收对光声池进行了标定,并对实际大气气溶胶的吸收特性进行了测量,结果表明光声光谱测量系统可以满足自然悬浮状态下的气溶胶吸收系数的实时测量。     

Research on FBG sensor signal wavelength demodulation based on improved wavelet transform

A new Fiber Bragg Grating (FBG) wavelength demodulation scheme is studied in the paper, which consists of an improved de-noising method and Gaussian fitting peak searching algorithm. The improved translational invariant wavelet without threshold adjust factor is proposed to get a better de-noising performance for FBG sensor signal and overcome the drawbacks of soft or hard threshold wavelets. In order to get a high wavelength demodulation precision of FBG sensor signal, this de-noising method is designed to combine with Gaussian fitting peak searching algorithm. The simulation results show that the wavelength maximum measurement error is lower than 1 pm, and can get a much higher accuracy.     

Theoretical kinetic study on the decomposition of 1,5‐diaminotetrazole

1,5‐Daminotetrazole (DAT) is of much interest because of the practical significance and the diversity of characteristics. The study on the decomposition pathway and the kinetics of DAT has been performed based on the quantum chemistry theory. The minimum energy path (MEP) calculation has shown that NH₂N₃ and NH₂CN are the initially detected products of DAT. And the structures of reactant, products and transition state were optimized with MP2 methods using 6‐311G** basis sets, and the energies were refined using CCSD(T)/6‐311G** levels of theory. The calculated rate constants were obtained using the conventional transition‐state theory (TST) and the canonical variational transition‐state theory (CVT) methods. The calculation results indicated that the energy barrier of decomposition reaction is 47.98 kcal mol^?1 and the variational effect is small. In addition, the rate constants and the Arrhenius experience formula of DAT decomposition have been obtained between 200 and 2500 K temperature regions. The fitted three‐parameter expressions calculated using the TST and CVT methods are (TST) and (CVT). This work may provide the theoretical support for further experimental synthesis and testing. Copyright © 2015 John Wiley & Sons, Ltd.     

Broadband spin‐controlled focusing via logarithmic‐spiral nanoslits of varying width

This work presents analytical, numerical and experimental demonstrations of light diffracted through a logarithmic spiral (LS) nanoslit, which forms a type of switchable and focus‐tunable structure. Owing to a strong dependence on the incident photon spin, the proposed LS‐nanoslit converges incoming light of opposite handedness (to that of the LS‐nanoslit) into a confined subwavelength spot, while it shapes light with similar chirality into a donut‐like intensity profile. Benefitting from the varying width of the LS‐nanoslit, different incident wavelengths interfere constructively at different positions, i.e., the focal length shifts from 7.5 μm (at λ = 632.8 nm) to 10 μm (at λ = 488 nm), which opens up new opportunities for tuning and spatially separating broadband light at the micrometer scale.

     

椭圆形和圆形翅片管流动与传热的数值研究

对椭圆管椭圆翅片间的流动与传热规律进行了三维数值研究,分析了不同翅片间距、迎面风速对表面换热系数和流动阻力的影响;与具有相同结构参数(相同的基管当量直径和翅片厚度、表面积)的圆管圆翅片进行比较表明,在相同条件下,两者的表面换热系数相差不大,但椭圆管椭圆翅片间流动阻力却有明显的减小.场协同分析表明,翅片迎风侧的换热要优于背风侧;通过适当增加迎风侧翅片面积,减小背风侧翅片面积,可以在强化换热的同时,减小流动阻力.     

Depth Dependence of Tetragonal Distortion of a ZnO/Mg0.1Zn0.90/ZnO Heterostructure Studied by Rutherford Backscattering/Channeling

Rutherford backscattering and channeling are used to characterize the structure of a ZnO/Mg0.1Zn0.90/ZnO heterostructare grown on a sapphire （0001） substrate by rf plasma-assisted molecular beam epitaxy. The results show that the Mg0.1Zn0.90 layer has the same hexagonal wurtzite structure as the underlying ZnO layer, and the heterostructure has a good crystalline quality with xmin = 5%, which is the ratio of the backscattering yields of aligned and random spectra in the near-surface region. Using the channeling angular scan around an off-normal （1213） axis in the {1010} plane of both ZnO and MgZnO layer, the tetragonal distortion εT, which is caused by the elastic strain in the epilayer, is determined. The depth dependence of εT is obtained by using this technique. It can clearly be seen that the elastic strain rapidly decreases with the increase in thickness of the ZnO film in the early growth stage and becomes slightly larger in the region of the Mg0.1Zn0.9O layer.     

二维相关红外光谱研究4-氨基吡啶/甲基丙烯酸分子间相互作用

采用二维相关红外光谱方法研究了4-氨基吡啶和甲基丙烯酸分子问相互作用.一维红外光谱难以直接反映4-氨基毗啶和甲基丙烯酸分子间相互作用的类型和键的关联,而二维相关分析结果清晰表明4-氨基吡啶和甲基丙烯酸分子间存在的相互作用.研究中发现1298和1 202 cm-1归属于甲基丙烯酸的-OH伸缩振动峰与1 531 cm-14-氨基吡啶的C=N伸缩振动峰存在同步交叉正峰,3 382和3 212 cm-1属于4-氨基吡啶的氨基N-H伸缩振动峰与1 705 cm-1归属于甲基丙烯酸的羰基伸缩振动峰存在同步交叉正峰.根据二维相关规则,4-氨基吡啶的C=N峰与甲基丙烯酸的-OH峰、4-氨基吡啶的氨基N-H峰与甲基丙烯酸的羰基峰有很强协同作用.结果表明4-氨基吡啶的C=N与甲基丙烯酸的-OH存在静电作用,4-氨基吡啶的氨基与甲基丙烯酸的羰基存在氢键作用.二维红外光谱是研究分子内、分子间相互作用的一种强有力的手段.     

Two Novel Methods to Enhance Network Synchronizability

In this paper, we propose two methods to enhance the synchronizability of a class of complex networks which do not hold the positive correlation between betweenness centrality （BC） and degree of a node, and observe other topology characteristics of the network affected by the methods. Numerical simulations show that both methods can effectively enhance the synchronizability of this kind of networks. Furthermore, we show that the maximal BC of all edges is an important factor to affect the network synchronizability, although it is not the unique factor.     

基于SiPM和TCMPC的时间分辨拉曼散射测量技术研究

报道了一种基于硅光电信增管(SiPM)的时间相关多光子计数(TCMPC)技术并将其应用于时间分辨拉曼散射测量。相比于常规基于光电倍增管(PMT)或单光子雪崩二极管(SPAD)的时间相关单光子(TCSPC)技术,由于SiPM可以分辨信号脉冲的具体光子数,基于SiPM的TCMPC技术消除了信号脉冲包含的光子数必须小于等于1的限制,光子计数效率提高了10倍以上,大大节省了测量时间。此外,多光子测量比单光子测量能够得到更好的时间分辨率,时间分辨拉曼散射系统的仪器响应函数(IRF)从单光子81.4 ps缩短至双光子59.7 ps,因而可以用更窄的时间门限抑制荧光本底等噪声对拉曼散射测量的影响。使用TCMPC技术测量CCl₄在0.5和1.5 p.e.两个不同光子数阈值的拉曼峰的峰本比,后者较高的光子数阈值能进一步降低SiPM暗计数噪声的影响,增加了拉曼信号测量的信噪比,测量得到的CCl₄ 459 cm-1拉曼峰的峰本比是前者的6.4倍。将所述新的拉曼散射测量技术与基于PMT和锁相放大器(LIA)的传统拉曼散射测量技术进行了比较研究,前者由于可以使用仅有数十皮秒的测量门限,可以有效抑制荧光、环境杂散光和SiPM暗计数等噪声的影响,所得光谱具有更好的峰本比,测得CCl₄的459 cm-1拉曼峰和Si的一阶拉曼峰的峰本比分别是后者的3.9倍和5.5倍。     

KDP晶体固-液界面吸附行为的分子模拟研究

通过构建晶体表面-KDP分子界面吸附结构模型, 采用分子动力学和密度泛函计算方法研究KDP分子在(001)和(010)面吸附的物理化学过程, 考察了温度对物理吸附行为的影响. 研究表明: KDP晶体表面的吸附过程和生长习性主要由化学吸附主导, 化学吸附能的计算表明[K-O₈]基元在(001)界面的结合能是(010)界面结合能的2.86倍; 在饱和温度附近, [H₂PO₄]^-阴离子在KDP界面的物理结合能随温度的变化呈现振荡特征, 溶液中有较多的离子团簇形成, 溶液变得很不稳定; 当温度从323 K降低至308 K时, 水分子在界面的结合能总体呈下降趋势, 而KDP分子在界面的吸附能总体呈上升趋势, 脱水过程是水分子和[H₂PO₄]^-阴离子在固液界面边界层竞争吸附的结果. 研究结果对确足晶体生长界面动力学过程发展和完善晶体生长理论有重要意义. 关键词： 分子动力学 双层结构模型 结合能