Temporal evolution of optical path difference of a supersonic turbulent boundary layer

The density distribution of a supersonic turbulent boundary layer is measured with the nanoparticle-based planar laser scattering technique, and the temporal evolution of its optical path difference (OPD) in a short time interval is characterized by proper orthogonal decomposition (POD). Based on the advantage of POD in capturing the energy of a signal, a temporal evolution model is suggested for the POD coefficients of OPD. In this model, the first few coefficients vary linearly with time, and the others are modeled by Gaussian statistics. As an application, this method is used to compute the short-exposure optical transfer function.     

光谱特征提取对近似矿物光谱差异性影响分析

矿物光谱特征是基于光学遥感数据对矿物进行种类识别及定量反演的理论基础,光谱特征提取是高光谱数据常用的技术手段,但在多光谱数据中较少涉及。近似矿物识别是矿物光谱分类应用中的难点,目前还缺少有效指标来指示近似矿物类别光谱的差异性。光谱特征提取有望提高矿物分类精度,但该处理对近似矿物光谱差异性的影响还缺少相关研究。本文从矿物光谱差异性的原理出发,通过类间和类内光谱角的比值体现不同类别群体差异,并引入样本量因素,提出了类别可分比作为近似矿物光谱差异性的指标。以明矾石和高岭石两种近似矿物为例,对USGS光谱库光谱及Hyperion,ASTER,OLI等传感器的模拟数据进行光谱特征提取处理,通过对比处理前后矿物光谱差异性的变化,分析光谱特征提取对近似矿物光谱差异性的影响。实验结果表明,有效的光谱特征提取可以显著提高近似矿物光谱差异性,并且光谱分辨率越高,近似矿物光谱差异性越大。此外,光谱分辨率及中心波长设置对于包络线去除结果有很大影响,多光谱数据吸收特征提取效果有待进一步提高。该研究为今后近似矿物光谱识别精度的提高奠定了基础,也为未来新型遥感找矿传感器参数设置提供了参考。     

X射线荧光测井谱漂校正技术研究

X射线荧光测井技术是一种可以在井下原位进行元素定量(半定量)分析的测井技术,对矿产勘查具有重要意义。受井下温度影响,X射线荧光测井仪容易发生谱漂。X射线测井仪采用硬件进行稳谱,采用软件实现微小谱漂校正。X射线荧光测井的谱数据量大,难以采用人工校正的方法实现。文章在总结了X射线荧光测量专业人员进行谱漂校正经验的基础上,结合专家系统研究了X射线荧光测井谱漂的校正方法。在谱漂校正过程中,采用对散射本底变化不灵敏的对称零面积法进行自动寻峰,并用标准方差进行指示峰判别。利用先验知识(上一次能量刻度)和高斯概率密度函数对当前指示峰进行定性分析,确定指示峰能量。将指示峰峰位和定性分析获得的能量值采用最小二乘法进行拟合,获得能量刻度系数,并对偏离较大的数据进行筛选,达到能量自动刻度目的,实现X射线荧光测井仪器谱谱漂校正。文章采用所述的谱漂校正方法对某次X射线测井仪温度实验的322条谱线进行校正,结果表明该方法能够有效地自动校正X射线荧光测井仪谱漂。     

基于线性回归算法的春玉米叶面积指数的冠层高光谱反演研究

利用辽宁锦州地区2013年生长季不同土壤水分控制条件下的春玉米冠层高光谱数据,及对应的植株叶面积指数(leaf area index,LAI)数据,分析在不同发育期内不同生长状况下的春玉米冠层高光谱特征及其与植株叶面积指数的关系。采集并计算共313组有效样本,包括350～2 500 nm波段范围光谱的反射率、反射率倒数的对数、反射率一阶导数及LAI,应用多元逐步线性回归法和偏最小二乘回归法,对剔除了受大气水分影响较为严重光谱波段的其他波段数据进行降维,构建叶面积指数的全波段冠层高光谱数据模型,并进行精度检验与比较。结果表明,春玉米LAI与光谱反射率在可见光波段(350～680 nm)、红外波段(1 430～1 800和1 950～2 450 nm)均呈显著的负相关;反射率倒数的对数在对应区间为显著的正相关;反射率一阶导数则在可见光和近红外波段(350～1 350 nm)存在较显著相关波段。三种全波段冠层高光谱数据在春玉米LAI的线性回归中,偏最小二乘法在以冠层反射率为自变量的模型构建中,比多元逐步线性回归拟合度好,其总均方根误差为0.480 7;以冠层光谱反射率的倒数的对数及一阶导数为自变量,应用逐步线性回归法建模,拟合度较好,其总均方根误差分别为0.333 5和0.348 8;三种光谱数据的春玉米LAI两种回归算法中,以冠层反射率倒数的对数为自变量,应用逐步线性回归方法建模的拟合度最佳。     

Combinatorial computational chemistry approach of tight-binding quantum chemical molecular dynamics method to the design of the automotive catalysts

Recently, we have developed a new tight-binding quantum chemical molecular dynamics program “Colors” for combinatorial computational chemistry approach. This methodology is based on our original tight-binding approximation and realized over 5000 times acceleration compared to the conventional first-principles molecular dynamics method. In the present study, we applied our new program to the simulations on various realistic large-scale models of the automotive three-way catalysts, ultrafine Pt particle/CeO₂(111) support. Significant electron transfer from the Pt particle to the CeO₂(111) surface was observed and it was found to strongly depend on the size of the Pt particle. Furthermore, our simulation results suggest that the reduction of the Ce atom due to the electron transfer from the Pt particle to the CeO₂ surface is a main reason for the strong interaction of the Pt particle and CeO₂(111) support.     

Crystallinity and morphology dependent luminescence of Li-doped Y2−xGdxO3:Eu thin film phosphors

The influence of lithium doping on the crystallization, the surface morphology, and the luminescent properties of pulsed laser deposited Y_2−xGd_xO₃:Eu³⁺ thin film phosphors was investigated. The crystallinity, the surface morphology, and the photoluminescence (PL) of films depended highly on the Li-doping and the Gd content. The relationship between the crystalline and morphological structures and the luminescent properties was studied, and Li⁺ doping was found to effectively enhance not only the crystallinity but also the luminescent brightness of Y_2−xGd_xO₃:Eu³⁺ thin films. In particular, the incorporation of Li and Gd into the Y₂O₃ lattice could induce remarkable increase in the PL. The highest emission intensity was observed Li-doped Y_1.35Gd_0.6O₃:Eu³⁺ thin films whose brightness was increased by a factor of 4.6 in comparison with that of Li-doped Y₂O₃:Eu³⁺ thin films.     

First-principles study on the origin of optical transitions to be associated with F colour centers for PbWO4 crystals

The electronic structures of PbWO₄ crystals containing F type color centers with the lattice structure optimized are studied within the framework of the fully relativistic self-consistent Direc–Slater theory, using a numerically discrete variational (DV-Xα) method. The calculated results show that F and F⁺ centers have donor energy level in forbidden band. Their optical transition energy are 1.84 eV, 2.21 eV, respectively, which corresponds to the 680 nm, 550 nm absorption bands. It predicts that the 680 nm, 550 nm absorption bands originate form the F and F⁺ centers in PbWO₄ crystals.     

高离化Kr33+离子22P -n2S(2≤n≤9)的耦极跃迁行为

本文构造了高离化Kr33+离子 1s2ns (2≤n≤9)和1s22p 态的波函数并利用其计算了体系的非相对论能量。为了得到高精度的理论计算结果,将相对论修正和质量极化效应作为一级微扰计算了体系的总能量和22P -n2S(2≤n≤9)跃迁能,本文的结果与有限的实验数据符合的较好。在此基础上完成了22P -n2S(2≤n≤9)偶极跃迁三种规范下振子强度的理论计算,三者的一致性进一步证明所构造的波函数在整个空间的准确性和可靠性。     

表面等离激元协助的方向性瑞利光散射研究

The origin of the Rayleigh scattering ring effect has been experimentally examined on a quantum dot/metal film system, in which CdTe quantum dots embedded in PVP are spin-coated on a thin Au film. On the basis of the angle-dependent, optical measurements under different excitation schemes (i.e., wavelength and polarization), we demonstrate that sur-face plasmon assisted directional radiation is responsible for such an effect. Moreover, an interesting phase-shift behavior is addressed.     

弯曲波导之间的耦合分析

采用极坐标下的光束传播法分析了两条平行变曲波导的中心间距、曲率半径等因素对模式耦合的影响,得到了耦合长度、耦合强度随中心间距、曲率半径的变化规律,并将直波导作为变曲波导的一种特殊情况进行了分析.