To the theory of three- and four-crystal X-ray spectrometers

The resolution was studied of the following types of X-ray spectrometers: Three-crystal spectrometer with all crystals in antiparallel position, three-crystal spectrometer with first two crystals in quasiparallel position (i.e. these crystals are set into the parallel position and then slightly misaligned) and four-crystal spectrometer with two pairs of quasiparallel crystals. The shape and width of smearing function were calculated and compared with the calculations for double-crystal spectrometer.     

A simple algorithm for spectral line deconvolution

The objective of this work is to develop a numerical procedure to subtract the instrumental function from a measured spectral line profile. The measuring device (for example, a Fabry-Perot Interferometer) distorts the spectral line profile and the experimentally measured one is a convolution of this profile and the instrumental function. Restoring the spectral line profile is strongly affected by numerical instabilities and the problem has been overcome by using the Tikhonov regularization method. The approach is very simple and easy for programming and it is particularly useful for “noisy” experimental data.     

Development of methods for processing spectra of multiple small-angle neutron scattering

A method has been developed for processing spectra of multiple small-angle neutron scattering (MSANS) to obtain information about substance heterogeneities, namely, their size and concentration. A method has been proposed for constructing the dependence of the MSANS line width on the sample thickness starting from the angular neutron distribution measured for one sample. The standard method for processing this dependence has been improved for application at any scattering multiplicity and complete account for the instrumental line of the double-crystal spectrometer. The method has been tested for the MSANS spectra of the samples of the Fe-Ni ferromagnet, Al powders, and HTSC ceramics.     

Separation of continuous lines mutually overlapping and smoothed by the instrumental function

Direct and inverse spectroscopy problems concerning superposition of overlapping continuous spectral lines, as well as smoothing of the total spectrum by the instrumental function, are considered. The direct problem is formulated in two stages: initially, the total spectrum is formed by lines with a given intensity distribution, and, then, a smoothed by the spectrometer instrumental function and noisy spectrum is obtained. The inverse problem is also formulated in two stages: initially, the Fredholm integral equation of the first kind is solved by the Tikhonov regularization method (an ill-posed problem), and, then, the problem of reconstruction of separate line-component shapes from the total spectrum is solved, which is the problem of line separation (division). The individual line components are modeled by Gaussians and Lorentzians. Numerical illustrations are shown. Gaussian and dispersion (Lorentz) instrumental functions are considered.     

傅里叶光谱仪高精度光谱定标研究

为了提高傅里叶光谱仪光谱定标精度,减小光谱定标误差,基于风云四号大气垂直探测仪实验室气体池光谱定标数据,进行傅里叶光谱仪高精度光谱定标算法研究。首先,分析了傅里叶光谱仪的分光原理,并在对参考激光波数漂移、光线离轴、以及有限视场引起光谱波数偏移的原理进行分析后,得出傅里叶光谱仪光谱定标公式及定标参数的计算方法;接着分析了快速傅里叶变换(FFT)的栅栏效应和干涉图截断产生的sinc函数造成的光谱定标误差较大的原因;然后通过对比几种不同的光谱细化方法,选择高效的快速Chirp Z-transform(CZT)进行光谱细化,解决FFT光谱分辨率较低导致光谱误差较大的问题;通过对气体池参考气体在HITRAN数据库中的理论谱线,用Gaussian线型展宽并卷积sinc函数处理后作为光谱定标参考谱线的方式,减小由sinc函数引起的谱线间串扰造成的光谱定标误差,从而提高光谱定标精度。最后,使用实验测得的数据对该光谱定标算法进行验证,对比使用CZT细化光谱前后定标误差,和参考谱线处理前后的定标误差,证明该算法可以有效提高光谱定标精度,最高可将光谱定标误差减小10倍以上。     

Investigation of Hg resonance 184.9 nm line profile in a low-pressure mercury-argon discharge

The line profiles of 184.9 nm Hg resonance line emitted from a Hg low-pressure high-frequency electrodeless discharge lamp, containing Hg 198 isotope, have been measured by means of a Zeeman scanning spectrometer at the mercury cold spot temperature values in the range of 0-23 °C. Two different methods were used to determine the real spectral line profile and to separate the instrument function: (i) solving the ill-posed inverse problem by means of the Tikhonov's regularization method; and (ii) the mathematical modelling by means of a non-linear multi-parameter chi-square fit. The real Hg 184.9 nm spectral line profiles, determined by both methods, are compared. Influence of instrumental function, degree of the self-absorption and temperature of the radiating atoms are obtained.     

FTIR被动遥测信号中的线形函数建模及补偿方法

被动遥测红外信号的精确解译,对远距离、非接触获取污染云团信息具有重要意义。然而,测量过程中的光谱畸变阻碍了这一目的的达成。针对遥测信号中的谱线畸变问题,提出了一种利用线形函数模型自适应补偿傅里叶变换红外光谱仪光谱线形函数的方法。通过对傅里叶变换光谱仪线形函数的成因分析,结合实际仪器设计参数,从理想线形函数、固有线形函数和相位误差三个方面构建线形函数模型;在此基础上,以实测畸变光谱与理论仿真光谱的均方误差作为代价函数,利用迭代优化方法实现了对实际线形函数关键参数进行估算的算法流程;将重构得到的线形函数应用于理论光谱补偿,显著减少了理论仿真光谱与实测光谱之间的差异。分析结果表明,理想线形函数主要影响谱线展宽及旁瓣幅值;固有线形函数造成向低频方向的非对称展宽;而相位误差则会造成谱峰非对称。必须在理论仿真光谱中综合考虑三种来源线形函数的贡献,才能有效建立测量光谱和待反演云团参数之间的联系。实际线形函数畸变参数的获取和补偿应用,有助于提高红外遥测信号的定量解译水平。     

基于极值统计的拉曼光谱信噪比评估方法与应用

随着近年来便携式光谱仪技术的迅速发展,CCD光谱仪相对于传统光谱仪在光谱收集方式上发生了很多变化：（1）采集到的光谱对信号进行叠加积分,传统信噪比评估方法无法通过单次检测获得探测器波动;（2）对于谱图噪声（谱线随机波动）,由探测器响应随机波动和扫描重复误差转变为CCD探测器像素响应差异、探测器随机噪声和与光学系统分辨力有关的模式噪声。噪声类型发生改变,导致原有的光谱质量评价方法适用性变差,基于实测光谱提出更具适应性的光谱质量评价方法具有很强的现实意义。根据拉曼光谱仪检测器的变化,对采集光谱信号的成分进行分析,在该分析的基础上提出了CCD光谱仪的噪声模型假设,根据该假设使用不同的信号极值点频率对不同的噪声进行像素分离,并对噪声频率模式进行了数值模拟,模拟结果与假设相符;在此基础上提出并实验验证了通过谱线极值间距评估谱线噪声的拉曼光谱信噪比评估方法,该方法包括以下两个步骤：（1）通过采集多次实测光谱进行叠加,叠加过程中对对应不同频次的光谱极值点数量进行统计,得到统计结果后基于文中规律分离光谱仪中的环境噪声和暗噪声;（2）应用上述分离结果,对实测光谱中对应暗噪声的谱线极值点作统计平均,再将该值应用于文中公式,计算得到信噪比。该方法在进行了步骤（1）的前期准备后,可以通过单张谱图评估CCD拉曼光谱仪的随机噪声,并用于评估光谱的信噪比。基于光学构架相同、CCD探测器不同的三个拉曼光谱系统进行实验,采用该方法通过设定信噪比阈值对谱图质量进行控制,获得了一致的光谱曲线;基于该方法对同步叠加平均法进行信噪比拟合,拟合优度达到98%。该方法可用于拉曼光谱仪的性能评估和获取拉曼光谱谱图的质量实时控制。理论和实验表明：对于基于CCD探测器的拉曼光谱仪器,当确定样品和特征峰时,可以基于此方法获得信噪比。该方法还可用于比对不同配置的拉曼光谱设备,以及作为控制谱图质量一致性的标准,并对基于拉曼光谱技术的智能鉴别系统的开发具有指导意义。     

基于最优化线性波数光谱仪的谱域光学相干层析成像系统

相比传统光谱仪,基于线性波数光谱仪的谱域光学相干层析(OCT)无需对非线性波数干涉光谱数据进行重采样和插值,可大大减少数据计算量并提高成像灵敏度.通过模拟计算干涉光谱信号和点扩散函数,以点扩散函数半峰全宽值的倒数作为评价准则,可以优化包括色散棱镜材料的折射率、顶角角度以及衍射光栅和色散棱镜之间旋转角角度的线性波数光谱仪的结构参数.根据优化结果,实验中选用F2玻璃等边色散棱镜,以光栅-棱镜间旋转角角度为21.8°搭建了最优化线性波数光谱仪,并引入谱域OCT成像系统.实验测得成像系统的轴向分辨率达到8.52μm,灵敏度达到91 dB,6 dB成像深度达到1.2 mm.结合具有通用并行计算能力的图形处理卡,在无需重采样和插值的情况下可实时处理和显示人手指指甲皮肤接缝处的横断面OCT图像,验证了基于最优化线性波数光谱仪的谱域OCT系统的成像性能.     

2D Laue focusing of X-ray radiation by a double-crystal system

The theory of the dynamic 2D focusing of an X-ray wave upon its Laue diffraction by a system of two bent crystals is developed. The reflecting planes of the crystals are perpendicular to their surfaces. 2D focusing is shown to be highly sensitive to the bending radius of the crystals and to the difference in their thicknesses. The effect of astigmatism on 2D Laue focusing is described, and conditions for stigmatic focusing are found. One-dimensional focusing inside the crystals is discussed. The spectral characteristics of a double-crystal 2D-focusing spectrometer are considered.     

An experimental study of the luminosity of an MFC−MAES-based digital spectrograph

We experimentally investigated the dependence of luminosity of a digital spectrograph for the line spectrum on the input slit width in the range 5?100 μm for different ways of measuring the spectral line image intensity. Based on the results obtained, we showed that the spectrograph luminosity can be increased by more than an order of magnitude via a multiple increase in the input slit width over the normal one with a conserved minimum instrumental response function width.     

基于多普勒非对称空间外差光谱技术的多普勒测速仿真

阐述了多普勒非对称空间外差光谱仪用于被动式多普勒测速的基本原理,通过综合考虑干涉条纹对比度和仪器测速灵敏度等关键因素,建立了效率函数,分别针对高斯线型和洛伦兹线型发射谱线,从理论上推导了最优单臂偏置量的选择依据,并以高斯线型目标谱线为例进行了仿真验证.同时,提出了一种基于部分干涉条纹反演多普勒速度的数据处理方法,简化了多谱线目标源的数据处理过程.结合自适应频率跟踪算法对单谱线目标源和多谱线目标源进行了仿真比较,仿真结果表明,在不考虑噪声的情况下,该方法针对多谱线目标源的多普勒测速最大绝对误差在0.004 m/s以内,与针对单谱线目标源的处理精度相当,可以满足实际应用的精度要求.     

Dispersive white-light spectral two-beam interference under general measurement conditions

Spectral-domain interference of two beams from a white-light source is analysed theoretically and experimentally when the effects of both dispersion in an interferometer and the response function of a spectrometer are taken into account. The spectral interference law is expressed analytically under the condition of a Gaussian response function of a spectrometer. The theoretical analysis is accompanied by experiments employing a dispersive Michelson interferometer and a low-resolution spectrometer. Two experiments with different amounts of dispersion in the Michelson interferometer are realized giving rise to the spectral interference fringes resolved only in the vicinity of the so-called equalization wavelength, at which the group optical path difference between interfering beams is zero. The recorded spectral interferograms are in good agreement with the theoretical ones, which are modelled knowing dispersion in the interferometer and the bandpass of the spectrometer.     

Correlation effects in multiple small-angle neutron scattering at the surface layers of inhomogeneities

The influence of spatial correlations on the angular distribution of multiple small-angle neutron scattering (MSANS) at the surface layers of inhomogeneities is studied. Calculations are carried out by taking instrumental distortions into account when observing multiple small-angle neutron scattering by means of methods of a double-crystal diffractometer and a small-angle diffractometer with a position-sensitive detector. Within the framework of the eikonal approximation, the MSANS line is calculated, and the influence of the surface-layer thickness and the inhomogeneity concentration on its width is studied.     

The resolution of X-ray double-crystal spectrometer in the three beam case

The parallel position rocking curve of double-crystal spectrometer with Ge(111) single crystals was measured for the case of simultaneous 333-11¯2 diffraction of X-ray beam (CuK₁ spectral line) from both crystals. The half-maximum width of this curve was found to be 1·3 times greater than that for (3, –3) single diffraction.     

新型超分辨干涉型光谱仪光谱定标研究

针对综合光栅衍射与空间干涉与一体的新型空间外差光谱(SHS)技术开展了光谱定标技术研究。从SHS干涉机理入手,列举了SHS与传统超光谱仪器光谱定标的差异,开展了仪器线性函数、光谱分辨率和光谱范围等光谱特性数据的定标原理研究,设计可调谐激光积分球光谱定标法,并且针对超光谱数据特点探讨了谱峰定位等数据处理算法。利用上述光谱定标方法对CO2空间外差光谱仪样机开展了光谱定标实验,并利用镁元素灯进行了定标精度验证,结果表明该光谱定标方法能够满足SHS光谱定标要求,样机实测光谱定标数据与理论设计值吻合。     

非对等FOV作用下的高分辨率FTIRS仪器线型函数研究

视场角(FOV)是仅次于最大光程差、决定高分辨率傅里叶红外光谱仪(FTIRS)仪器线型函数(ILS)的重要因素.由于光学设计和装调原因,理论为圆形FOV的扩散光束,到达探测器端时,其水平和垂直方向上的FOV值往往不再严格对等.对此,提出了以椭圆形面光源取代传统文献中的圆形面光源来反映这种非对等性,并结合最大光程差参数,...     

一台高分辨袖珍式掠入射光栅谱仪

为满足X光激光实验研究的需要,研制了一台袖珍式掠入射光栅谱仪。谱仪的波段范围为2～32nm,分辨率为0.005nm,重量3.5kg。在研制过程中,采用了三坐标测量机进行谱仪元件调整的新技术;在使用过程中,创造了以基准面进行瞄准的新方法。     

准单色近平行光束的X射线源

针对准单色近平行光束X射线背光成像诊断需求,提出了一种用球面弯晶进行X射线衍射选单从而获取准直光束的新方案.在神光Ⅱ装置上,设计了基于球面弯晶X射线衍射选单准直光束系统,完成了该系统的安装、调试和实验应用,获得了准单色(10~(-3)△λ/λ10~(-2))、小发散角(2 mrad)和大辐照匀斑(直径φ500 m)的X射线光源.同时基于衍射光学和球面镜成像理论,研究了不同布拉格角对球面弯晶X射线衍射光束发散角及其像散差的影响.结果表明,布拉格角会影响球面弯晶X射线衍射光束的发散角.用控制布拉格角范围的方法有望获得发散角优于1 mrad的近平行光束X射线光源.这种准单色、极小发散度和均匀角分布的X射线光源可应用于高分辨X射线成像诊断.     

窗口可变滑动相关分析方法在激光诱导击穿光谱谱线自动识别中的应用

激光诱导击穿光谱(LIBS)谱线具有很窄的展宽,且光谱仪因外界温度条件的变化存在波长漂移,光谱数据为离散数字信号,受噪声、谱线重叠及连续背景的影响,信号存在失真和变形。而目前光谱仪自带谱线识别分析软件主要以"就近原则"为主,错误率较高,必须依赖于人眼的观察对比。针对这个问题,在研究LIBS光谱特性的基础上,提出了一种窗口可变滑动相关分析方法(CAASW),用于激光诱导击穿光谱谱线自动识别。以土壤标准物质为样品,对该方法进行了实验分析和评价,与光谱仪自带分析识别软件相比,CAASW明显提高了识别准确率和识别速度,最终实现了谱线的自动识别。