双层PLS算法及其在近红外光谱分析中的应用

针对近红外光谱数据局部效应显著,变量个数多,且彼此间常存在严重的复共线性,并与样品组分含量呈非线性关系,构建了一种双层非线性偏最小二乘回归 (DNPLSR)算法。它将非线性回归和偏最小二 乘(PLS)相结合,先在外层由PLS从样本数据中提取成分,并实现每对成分间的非线性映射,再在内层实施PLS算法,将外层因变量成分的拟合误差反馈计算转换权向量的增量,进一步修正转换权向量,以使外层所提取的成分对因变量具有更优的解释能力。最后,将该法应用于80个谷物样品的水组分含量与其近红外光谱的定量关系建模,效果良好,显示出很强的学习能力,所建模型的预报性能也优于其他方法。     

近红外光谱法测定紫花苜蓿青贮鲜样的营养价值

应用近红外光谱技术(NIRS)直接分析新鲜饲草的营养价值,如饲草中干物质(DM),粗蛋白(CP),中性洗涤纤维(NDF),酸性洗涤纤维(ADF)含量,对畜牧业生产具有重要意义。鲜草中由于含有较多的水分,不易制备均一的样品和进行光谱中有用信息的提取,因此难于进行近红外光谱分析。本试验应用偏最小二乘回归法(PLS)、傅里叶变换近红外光谱技术和液氮冷冻制样技术,建立了适合于不同品种,不同生育期,不同茬次和不同青贮方法即时测定青贮苜蓿鲜样中DM,CP,NDF,ADF的模型,以期对NIRS在测定紫花苜蓿青贮鲜样品这些成分测定的可行性进行分析。所建DM,CP,NDF和ADF模型的交叉检验决定系数(R2_cv)为0.884 6～0.989 8,交叉检验标准误(RMSECV)为3.9～9.7 g·kg-1鲜重。用50个样品对模型进行外部检验,预测相关系数(r)为0.939 7～0.994 9,预测标准误为1.9～8.3 g·kg-1鲜重。结果表明： 采用适当的样品处理方法和光谱分析技术可以实现近红外光谱技术对苜蓿青贮鲜样的营养价值评定。     

ZnS衬底上GeC/GaP增透保护膜系的制备及红外光学性质

把GeC/GaP双层膜用作ZnS衬底的长波红外(8~11.5μm波段)增透保护膜系。采用射频磁控溅射法,以高纯Ar为工作气体、单晶GaP圆片为靶制备了GaP薄膜;用射频磁控反应溅射法在高纯Ar和CH4的混合气体中,以单晶Ge圆片为靶制备了GeC薄膜。分别用柯西(Cauchy)公式和乌尔巴赫(Urbach)公式表示折射率和吸收系数,对薄膜的红外透射率曲线进行最小二乘法拟合,得到了它们的厚度及折射率、吸收系数等光学常数。GaP膜的折射率与块体材料的相近,在波长10μm处约为2.9;GeC膜的折射率较小,在波长10μm处约为1.78。用所得到的薄膜折射率,通过计算机膜系自动设计软件在ZnS衬底上设计并制备出了GeC/GaP双层增透保护膜系,当GaP膜厚较大时,由于吸收增大膜系增透效果较差;当GaP膜厚较小时,膜系有较好的增透效果。     

空间目标红外辐射特性研究

利用目标的红外光谱特性进行目标探测和识别是一种有效的方法。以空间卫星为目标,研究了其红外辐射特性形成的机理;利用所建立的数学模型,仿真了空间目标在探测面上所形成的红外光谱特性曲线;分析了模型中各参数对目标光谱特性的影响程度和卫星目标的红外光谱曲线。     

High resolution staring arrays answering compact MW and LW applications

This paper overviews the electro-optical and thermal performances of different types of infrared detectors manufactured by Sofradir. The detector’s fabrication processes and detector’s performance are shortly described. New staring arrays are more compact and offer system solutions required by infrared market. Special attention is directed to some reliability advantages of new dewar design. Finally, the development trends for highest resolution infrared detector are discussed. The paper presented there appears in Infrared Photoelectronics, edited by Antoni Rogalski, Eustace L. Dereniak, Fiodor F. Sizov, Proc. SPIE Vol. 5957, 59570U (2005).     

Reflection absorption infrared study of the adsorption of dimethylamine on copper (1 1 0) and nickel (1 1 1) surfaces

The adsorption of dimethylamine on Cu(1 1 0) and Ni(1 1 1) has been studied by reflection absorption infrared spectroscopy. For Cu(1 1 0), adsorption was molecular at 80 and 300 K and for submonolayer dimethylamine the appearance of A′ and not A″ modes indicated C_s symmetry. Similar bonding was found for Ni(1 1 1) at 170 K. Annealing the adlayer to 350 K resulted in the formation of a new species on Ni(1 1 1), similar to that which has been identified as methylaminocarbyne on Pt(1 1 1). In contrast only molecular dimethylamine was identified on Cu(1 1 0), with H-bonded interactions at high coverage and a potential surface dimer.     

数字微镜近红外光谱仪光学系统设计与实验

针对传统光谱仪体积大、成本高、检测速度慢、需样品前处理等不足,提出了利用数字微镜面阵(DMD)实现光谱谱面分割分时选通的近红外光谱仪光学系统.首先,对比传统光路介绍单探测器微型光谱仪系统测量原理;然后结合DMD特性提出光路方案,根据几何光学原理进行初步光学元件选型和光路结构设计,利用ZEMAX光学软件对光路进行仿真,确...     

两端叠层结构的中长波量子阱红外探测器

采用分子束外延技术生长了两个叠层结构的双色量子阱红外探测器结构,并经过光刻和湿法刻蚀制作成两端结构的量子阱红外探测器单元器件. 通过改变量子阱势垒高度,势阱宽度,掺杂浓度,重复周期数等器件参数,可以使总电压在两个叠层之间产生适当的分布,从而使器件表现出不同的电压响应特点. 光电流谱测量显示,器件1随着外加偏置电压可实现对于中波大气红外窗口(3—5 μm)和长波大气红外窗口(8—12 μm)红外响应的切换,器件2在不同的偏置电压下可以对这两个波段同时做出响应. 本文探讨了两端叠层结构量子阱红外探测器的工作原 关键词： 电压调制 同时响应 量子阱红外探测器 双波段     

Long-lasting near-infrared persistent luminescence from β-Ga2O3:Cr nanowire assemblies

Near-infrared (NIR) persistent luminescent β-Ga₂O₃:Cr³⁺ nanowire assemblies were synthesized by a hydrothermal process followed by calcination. The phosphor exhibits more than 4 h afterglow in the wavelength range of 650-850 nm after ceasing the ultraviolet light (280-360 nm) irradiation. The trap structure and persistent luminescence mechanism were revealed by thermoluminescence measurement. The β-Ga₂O₃:Cr³⁺ nanowire assemblies may find applications as identification taggants in security and optical probes in bio-imaging.     

The ν12 band of C2D4

The Fourier transform infrared (FTIR) absorption spectrum of the ν₁₂ fundamental band of ethylene-d₄ (C₂D₄) was recorded in the 1017-1137 cm⁻¹ region with an unapodized resolution of 0.0063 cm⁻¹. Upper state (v₁₂ = 1) rovibrational constants consisting of three rotational and five quartic constants were improved by assigning and fitting 2103 infrared transitions using Watson’s A-reduced Hamiltonian in the I^r representation. The band centre of the A-type ν₁₂ band is found to be 1076.98480 ± 0.00002 cm⁻¹. The present analysis covering a wider wavenumber range and higher J and K_c values yielded upper state constants including the band centre which are more accurate than previously reported. The rms deviation of the upper state fit is 0.00045 cm⁻¹. Improved ground state rovibrational constants were also determined from the fit of 1247 ground state combination differences (GSCD) from the presently-assigned infrared transitions of the ν₁₂ band of C₂D₄. The rms deviation of the GSCD fit is 0.00049 cm⁻¹. In the rovibrational analysis, local frequency perturbations were not detected even at high J and K_a values. The calculated inertial defect Δ₁₂ is 0.32551 ± 0.00001 μŲ. The line intensities of the individual transitions in the ν₁₂ band were measured and the band strength of 39.8 ± 2.0 cm⁻² atm⁻¹ was derived for the ν₁₂ band of C₂D₄.