Identification and treatment approach for spectral baseline distortion in processing of gas analysis online by Fourier transform infrared spectroscopy

Addressing the problem of baseline drift or distortion in Fourier transform infrared spectra when analyzing gas continuously at scene, a novel and simple method is proposed to identify and treat spectral baseline drift. Firstly, the spectral baseline was corrected with the common approach followed by standard gas analysis. Then, absorbance of analytes was reconstructed and reduced from the corrected spectrum. Finally, a Fourier transform was performed with the difference spectrum, and the first four-line strengths were used as feature variables to determine if baseline distortion occurred. In the end of this paper, this approach has been applied in the field of wellhead gas logging with Fourier transform infrared. The application results showed that all the spikes had been removed from the raw logging curves, confirming that this approach could be used to identify spectral baseline distortion accurately.     

Discontinuity of dipole-moment matrix elements in ellipsoidally shaped nanoparticles and profiles of spectral lines

The behaviour of energy levels and optical spectra of a charged particle (electron or hole) confined within a potential well of ellipsoidal shape is investigated as a function of the shape-anisotropy parameter. If two energy levels of the same symmetry intersect in a perturbation-theory approximation, they move apart on direct diagonalization of the appropriate Hamiltonian. The intersection of the energy levels leads to a discontinuity of the corresponding dipole-moment matrix element. The discontinuity of matrix elements is not reflected in the behaviour of transition probabilities which are continuous functions of the shape-anisotropy parameter. The profiles of a spectral line emitted or absorbed by an ensemble of ellipsoidally shaped nanoparticles with a Gaussian distribution of size are calculated and discussed.     

Tuning spin-filtering,rectifying, and negative differential resistance by hydrogenation on topological edge defects of zigzag silicene nanoribbons

By first-principles calculations, we propose three heterojunction nanodevices based on zigzag silicene nanoribbons with different edge-hydrogenated topological line defects. The devices all present excellent spin-filtering properties with 100% spin polarization as well as remarkable rectifying effect (with rectification ratio around 10²) and negative differential resistance behaviors. Our findings shed new light on the design of silicon-based nanodevices with intriguing spintronic applications.     

激光诱导击穿光谱的自组织特征映射结合相关判别对天然地质样品分类方法研究

激光诱导击穿光谱技术具有微损、原位、快速分析的特点,在样品分类识别、成分分析等领域有广阔的应用前景。为探索该技术在天然地质样品识别应用的可行性,提出了一种自组织特征映射神经网络结合相关判别对天然地质样品LIBS光谱分类识别的方法。为减小全谱中背景噪声等不相关数据干扰、降低计算量,在元素谱线归属的基础上进行了特征谱线提取,实现了高维光谱数据的降维。以特征谱数据为输入建立网络训练模型,得到具有输入样本特征的权向量,通过权向量与待测样本进行相关分析可以实现样品分类。对16种天然地质样品的分类算法实验证明,在全谱、主成分降维和特征谱段三种数据处理方法中,特征谱的降维和提取LIBS数据主特征效果最优。改进的SOM网络结合相关判别算法比支持向量机方法和直接应用SOM网络方法的分类准确度更高,初步证实了该方法的有效性。     

太阳光谱辐射计的信号传递与性能表征模型研究

太阳光谱辐射计作为一种专用光谱辐射测量仪器,对于其宽谱段和大动态范围的测量特点,准确完整地表征分光性能是十分重要的。研究内容旨在为太阳光谱辐射计的研制与验证提供明确的理论依据和测试方法,给出清晰而准确的机理模型和指标模型对光谱仪器系统的设计和评估提供指导。因此,重点阐述了光谱仪器系统的信号传递模型到性能指标模型的推导和建立过程。线谱扩展函数这种串联卷积模型能够综合反映仪器的各个元件对系统的影响,而且很容易通过窄带线谱光源测试而得到,并且线谱扩展函数矩阵能够清晰完整地给出光谱仪器的分光性能细节特性。而在线谱扩展函数的基础上再进一步提取关键几何特征,通过简单的算法定义即可得到半高全宽(FWHM),带外抑制和带外辐射这三项示性函数指标,可以很好地对分光系统的性能进行定量表征,是十分有效的光谱仪器系统性能评估的指标模型。     

Measurements and calculations of H2-broadening and shift parameters of water vapour transitions of the ν1 + ν2 + ν3 band

The water vapour line broadening and shifting for 97 lines in the ν₁ + ν₂ + ν₃ band induced by hydrogen pressure are measured with Bruker IFS 125 HR FTIR spectrometer. The measurements were performed at room temperature, at the spectral resolution of 0.01 cm^?1 and in a wide pressure range of H₂. The calculations of the broadening γ and shift δ coefficients were performed in the semi-classical method framework with use of an effective vibrationally depended interaction potential. Two potential parameters were optimised to improve the quality of calculations. Good agreements with measured broadening coefficients were achieved. The comparison of calculated broadening coefficients γ with the previous measurements is discussed. The analytical expressions that reproduce these coefficients for rotational, ν₂, ν₁, and ν₃ vibrational bands are presented.     

Study on the measurement accuracy of circular transmission line model for low-resistance Ohmic contacts on III-V wide band-gap semiconductors

The accuracy and error propagation for determining the low specific contact resistance of Ohmic contacts on III-V wide band-gap semiconductors based on the circular transmission line model have been analyzed and the validity of this method is discussed in detail. The accuracy is more susceptible to the factors including data fitting method, electrical measurement technique and contact area correction. By using the equations of the original circular transmission line model to extract the fitting parameters, the calculation accuracy is much improved and the inapplicability of the linear least-square fitting is prevented. To further improve the accuracy, a four-probe current-voltage measurement technique was adopted to reduce the parasitic series resistances and the uncertainty bound, especially for the Ohmic contact with low sheet resistance of the semiconductor. Moreover, we have studied the size effect of contact pads of patterns and demonstrated that contact area correction is necessary for the semiconductor with high sheet resistance. A comprehensive error analysis is also performed to fully understand all the impact factors on this advanced method of specific contact resistance measurement, which is benefit for device performance evaluation and failure analysis.     

系统压力对含悬浮颗粒油液的影响研究

油液在运行过程中不可避免地会产生颗粒物,影响油液的正常使用,甚至出现设备故障,因而分析含悬浮颗粒油液的动态特征,掌握在不同压力变化条件下油液及颗粒物的变化规律具有重要意义。利用两相流体理论建立了含悬浮颗粒油液的悬浮流动力学模型,通过特征线法进行了数值求解,将数值结果与实验数据比较,具有较好的一致性;根据所建模型,分析了不同系统压力条件下悬浮流中各相的脉动规律。结果表明,流场中各相参数的脉动幅值随着系统压力的增加而增大;管路始端和终端各相参数的脉动时刻分别位于1/4脉动周期(T)的奇数倍和偶数倍处,管路中段各相参数的脉动时刻则位于T/8的奇数倍处;悬浮颗粒速度会受到油液速度拖曳力作用,其变化趋势与油液速度基本一致,颗粒浓度分布与油液压力的变化趋势完全相反。     

Dynamics of vortex–antivortex pair in a superconducting thin strip with narrow slits

In the framework of phenomenological time-dependent Ginzburg-Landau(TDGL) formalism,the dynamical properties of vortex-antivortex(V-Av) pair in a superconductor film with a narrow slit was studied.The slit position and length can have a great impact not only on the vortex dynamical behavior but also the current-voltage(Ⅰ-Ⅴ) characteristics of the sample.Kinematic vortex lines can be predominated by the location of the slit.In the range of relatively low applied currents for a constant weak magnetic field,kinematic vortex line appears at right or left side of the slit by turns periodically.We found such single-side kinematic vortex line cannot lead to a jump in the Ⅰ-Ⅴ curve.At higher applied currents the phase-slip lines can be observed at left and right sides of the slit simultaneously.The competition between the vortex created at the lateral edge of the sample and the V-Av pair in the slit will result in three distinctly different scenarios of vortex dynamics depending on slit length:the lateral vortex penetrates the sample to annihilate the antivortex in the slit;the V-Av pair in the slit are driven off and expelled laterally;both the lateral vortex and the slit antivortex are depinned and driven together to annihilation in the halfway.