The annealing of damage in ion implanted gallium arsenide

Photoluminescence measurements at 77°K and Rutherford scattering of 450 keV protons were used to study radiation damage and annealing in ion implanted GaAs. The characteristic band edge luminescence (8225 Å) in GaAs is completely quenched by ion implantation. Photoluminescence measurements on samples which were isochronally annealed show a single annealing stage at 600°C. A luminescence peak at 9140 Å is introduced into the spectra of all implanted and annealed samples. This peak is attributed to an acceptor level created by As vacancies. The intensity of the peak is greatly reduced by protecting the surface of implanted layers with SiO₂ during annealing. Rutherford scattering measurements on isochronally annealed samples reveal two annealing stages. A 300°C annealing stage is observed on samples which have an initial aligned yield less than random while a 650°C stage is observed on samples which have an initial aligned yield equal to random.     

基于FTIR-SVM的西洋参与籽播参的分类研究

支持向量机(SVM)是根据统计理论提出的一种新的学习算法。文章以40个西洋参样品为实验材料,通过FTIR-SVM建立了西洋参样品与籽播参识别的模型。对学习训练集中的30个样品模型识别率为100%,对10个预测样品的识别准确率为90%。研究结果表明,FTIR-SVM可以用于中药西洋参与籽播参的区别。     

Comparison of Spectral and Molecular Analyses for Classification of Long Term Stored Wheat Samples

This study aimed to determine whether NIR spectroscopy and protein band analysis can differentiate the grain samples of 15 wheat genotypes stored for different periods: Group Ⅰ (91 weeks), Group Ⅱ (143 weeks), Group Ⅲ (194 weeks), and Group Ⅳ (246 weeks). Samples were harvested from previously-conducted field trials, and stored at +4 ℃. A-PAGE and SDS-PAGE methods were utilized to separate gliadin and glutenin fractions, respectively. A qualitative calibration model based on the Support Vector Machine (SVM) method was generated and validated using NIR spectra taken from samples. Results indicated storage length did not have an effect on molecular band fractions. Use of this method would not be considered an effective tool for discrimination of samples stored for different lengths of time. Spectral techniques may have potential in sorting samples based on their storage time. The SVM calibration model generated here had an acceptable true classification rate (over 80%) for separating all groups, while only Groups Ⅱ and Ⅳ were precisely separated (100% true classification rate) in the validation step.     

Influence of ultrasound-assisted extraction on the pyrolysis characteristics and kinetic parameters of eucalyptus

In this study, the influence of ultrasound-assisted extraction on eucalyptus samples with special focus on pyrolysis characteristics and kinetic parameters was explored. Ultrasound and Soxhlet extraction were used to pretreat samples respectively, then samples were assayed by component analysis, TG-FTIR, and kinetic analysis. Ultrasound-assisted extraction did change the physiochemical characteristics of eucalyptus samples, particularly in regards to the quantity of extractives obtained. In TG and DTG curves, ultrasound-extracted samples reflected lower residual weight ratio (17.77%) and higher maximum weight loss rate (−22.92%/min), and were accompanied by a slight shift in the weight loss rate peak to lower temperature (366 °C). The volatiles produced during pyrolysis and the discrepancies of product distribution between experimental and controlled groups were explored based on TG-FTIR spectra. According to kinetic analysis results, ultrasound-treated samples showed higher activation energy at the primary portion of thermal degradation with an average of 206.09 kJ/mol.     

基于近红外漫反射测量的便携式土壤有机质测定仪的开发

开发了一款基于近红外漫反射测量的便携式土壤有机质测定仪。测定仪主要由光学单元和电路单元组成。光学单元包括光源、入射和反射光信号传导光纤、光电转换器件等。电路单元包括光源驱动电路,放大电路、A/D转换电路、液晶显示和U盘存储电路等。工作时探头部分插入土壤形成密闭空间,光源发出的光通过入射光纤传送到探头的顶端,并照射顶端周围的土壤;来自土壤的漫反射光沿反射光纤被传送到光电转换器件,产生的电流再被送至电路单元进行放大、滤波、A/D转换、显示和存储。分别针对自然土样和烘干土样的性能试验结果表明,反射率和SOM含量之间具有很高的相关性,在土壤有机质实际含量大于2%时,平均相对误差率低于5%。开发的仪器能够满足农业生产需要。     

The dispersion of platinum on silica-correlation of esca and gas adsorption data

For five catalyst samples (Pt supported on silica) prepared by an ion exchange method, a correlation plot of chemisorption data against ESCA Pt/Si signal area ratio was a smooth curve essentially linear at low surface Pt levels but curving at high Pt values. Two samples prepared by an impregnation method were also studied. A line connecting points on the correlation plot for these samples was approximately parallel to but not coincident with the correlation curve obtained for samples prepared by ion exchange. The data strongly support the use of ESCA for measurements of metal particle size (dispersion) in catalyst systems such as these.     

“Three-dimensional analysis of the pyrolysis behavior of solid fuel by ultra high-speed X-ray CT”

In this research, microscopic visualization of pyrolysis in woody biomass was conducted by using the BL20B2 beamline at “SPring-8,” a large synchrotron radiation facility. Changes in shape and internal structure of the woody biomass were visualized by ultra high-speed CT. The samples were made of Japanese cypress wood; they had a height and a diameter of 5 mm. We used radiation as the heat source to achieve a high heat flux. When the heat flux was high, the samples expanded. Gaps were observed inside the samples. By comparing our results with the experimental results obtained under a low heat flux in a previous study, we could observe an entirely different aspect. Considering that the increase in pressure due to the rapid generation of pyrolysis gas created gaps in the samples, the samples were drilled, and experiments were performed on them. The hole in the center of the wood alone did not create an escape route for the pyrolysis gas, and the pyrolysis behavior was the same as that observed in the unprocessed wood.     

Quantitative analysis of lead in aqueous solutions by ultrasonic nebulizer assisted laser induced breakdown spectroscopy

In this study, an ultrasonic nebulizer unit was established to improve the quantitative analysis ability of laser-induced breakdown spectroscopy (LIBS) for liquid samples detection, using solutions of the heavy metal element Pb as an example. An analytical procedure was designed to guarantee the stability and repeatability of the LIBS signal. A series of experiments were carried out strictly according to the procedure. The experimental parameters were optimized based on studies of the pulse energy influence and temporal evolution of the emission features. The plasma temperature and electron density were calculated to confirm the LTE state of the plasma. Normalizing the intensities by background was demonstrated to be an appropriate method in this work. The linear range of this system for Pb analysis was confirmed over a concentration range of 0–4,150ppm by measuring 12 samples with different concentrations. The correlation coefficient of the fitted calibration curve was as high as 99.94% in the linear range, and the LOD of Pb was confirmed as 2.93ppm. Concentration prediction experiments were performed on a further six samples. The excellent quantitative ability of the system was demonstrated by comparison of the real and predicted concentrations of the samples. The lowest relative error was 0.043% and the highest was no more than 7.1%.     

基于强影响度的近红外奇异样本识别算法研究

校正样本选择以及奇异样本剔除对于近红外光谱定量和定性建模非常重要。现有的识别奇异样本的方法一般都基于数据重心估计,需要一个经验的判断阈值,在很大程度上限制了其识别准确性和实用性。针对现有方法奇异样本识别准确率低的问题,改进了一种现有度量尺度-杠杆值,构造出一种新的基于强影响度的奇异样本识别算法。这种度量尺度在一定程度上减少了对数据重心的依赖,使正常样本更加聚集,拉开了奇异样本与正常样本的距离;同时,为了避免人工根据经验设定阈值的不合理性,引入统计学领域中跳跃度的概念,提出了一种自动阈值设定方法判别奇异样本。为了验证该算法的有效性,利用马氏距离、杠杆值-光谱残差法与该算法分别对200个代表性校正集样本中的异常样品进行剔除,然后通过偏最小二乘法(PLS)对剩余的校正集样本(以烟碱为指标)定量建模,并对60个代表性测试集样本进行预测,以交互验证均方根误差(RMSECV)、相关系数(r)和预测均方根误差(RMSEP)为评价指标比较各算法的优劣。实验对比结果表明,基于强影响度的奇异样本识别算法较现有方法明显提高了奇异样本识别的准确率,具有较低的RMSECV(0.104),RMSEP(0.112)以及较高的R(0.983),提高了模型的稳定性和预测能力。     

Raman spectroscopy and chemometrics for quantitative analysis of complex flows in an industrial transesterification process

A method based on Raman spectroscopy has been used for determination of ester acrylate mixture composition from an industrial production of acrylic monomers. Five molecules of the industrial mixture have been studied: main components and an impurity. Experiments were carried out with an immersion probe on the spectral range of 100–3425 cm⁻¹. Usually, monitoring a complex industrial flow by spectroscopic analysis requires a lot of samples in order to have a representative prediction model. Here only 60 samples from the process were necessary to build the model. The statistics was then artificially increased by synthetically increasing the number of samples. A qualitative study by principal component analysis was at first done, and then a partial least squares method was performed to assess the feasibility of quantitative measurements in such transesterification process. Internal and external validations methods have been used and their results show a RMSEP below 1% of samples predicted concentration ranges. The repeatability and reproducibility of Raman measurements are also discussed. Copyright © 2014 John Wiley & Sons, Ltd.     

Atmosphere corrosion behavior of plasma sprayed and laser remelted coatings on copper

Nickel and chromium coatings were produced using plasma spraying and laser remelting on the copper sheet. The corrosion test was carried out in an acidic atmosphere, and the corrosive behaviors of both coatings and original copper samples were investigated by using an impedance comparison method. Experimental results show that nickel and chromium coatings display better corrosion resistance properties relative to the original pure copper sample. The corrosion rate of chromium coating is less than that of nickel coating, and corrosion resistances of laser remelted nickel and chromium samples are better thanthose of plasma sprayed samples. The corrosion deposit film of copper is loose compared with nickel and chromium.     

基于混合概率核主成分二次相关红外目标检测

在主成分特征提取基础上,提出了一种把子空间二次综合判别函数（Subspace Quadratic Dynthetic Discriminant Function,SSQSDF）作为相关滤波器的红外目标检测算法.该算法把混合概率核主成分分析推广到混合概率模型,在核空间对样本进行特征提取,获取目标样本的低维主特征向量.对训练和待检测样本向主特征向量投影获得它们的低维特征分量,并把获取的特征量作为SSQSDF的样本参量.最后,SSQSDF滤波器输出大于给定阈值所对应的检测区域,将其作为检测目标.实验证明,该算法能较强抑制目标背景噪音,提高目标检测准确度,具有一定的可行性和有效性.     

古代玻璃样品表面因素对便携式X射线荧光定量分析的影响

便携式X射线荧光光谱分析技术(PXRF)是一种表面分析技术,样品表面状况对定量分析结果有很大的影响.本文采用PXRF对新疆、广西、江苏等地出土的Na2O-CaO-SiO2,K2O-SiO2和PbO-BaO-SiO2体系古代玻璃的风化表面与内部进行了定量分析,指出了主要助熔剂的含量在不同部位的变化.另外,还研究了样品与参...     

基于光谱技术的杨梅汁品种快速鉴别方法的研究

为了实现杨梅汁品种的快速无损鉴别,提出了一种用可见和近红外光谱技术快速鉴别杨梅汁品种的新方法。首先采用偏最小二乘法进行模式特征分析,经过交互验证法判别,确定最佳主成分数为9。完成特征提取后,将这9个主成分作为神经网络的输入变量,建立了三层BP神经网络,实现类别预测的同时也完成了数学建模与优化分析工作。3个品种的杨梅汁样本数均为20,共计60个样本。在神经网络学习中,将其分成训练集样本51个和预测集样本9个。对9个未知样本进行预测,准确率为100％。说明本文提出的基于光谱技术和模式识别的方法具有很好的分类和鉴别能力。     

定向凝固生长对Ni-Mn-Ga-RE (RE=TbSm)合金磁感生应变的影响

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Nanoindentation Experimental Approach and Numerical Simulation of Al/Cr Bilayer Films

The Al/Cr double-layer film structure samples (thickness, 1200 nm) were prepared by the magnetron sputtering method. To investigate the mechanical properties, the samples were measured by using a nanoindentation instrument. The test results showed the nonlinearity and different modes of the main mechanical properties by comparing the macro-scale structure samples with other samples of similar materials. Based on the test, the elastic modulus and hardness of thin film structures can be calculated by considering different loads to conduct multi-point indentations. Meanwhile, the relationships between the mechanical parameters can be investigated based on these Al/Cr double-layer film structure samples. To validate the test, numerical analysis was developed using a finite element method to simulate the loading and unloading process of indentation. The simulation results were compared with the results of experiments to illustrate the validity of both the test and simulation to a certain extent. The investigation builds not only an experimental basis for practical applications for future study, but also supplies a complementary means of verification for theoretical analysis.     

红外光谱与聚类分析法无损快速鉴别肉苁蓉

应用傅里叶变换红外光谱（FTIR）法测定了栽培和野生肉苁蓉,以450～2 000 cm-1范围内的吸收峰吸光度为指标,以红外光谱图为对象,应用SMICA聚类分析（Cluster analysis）法对栽培和野生肉苁蓉进行了聚类分析。结果表明,红外光谱结合聚类分析技术可对不同来源的肉苁蓉进行鉴别,识别率和拒绝率达到90%以上,盲样检测的准确率也在95%以上。因此,红外光谱与聚类分析法相结合可以快速、无损识别中药材。     

室温快速液相沉淀法制备吡嗪四甲酸钐配合物及其光致发光性能研究

采用室温快速液相沉淀法制备了吡嗪四甲酸钐亚微米椭球配合物材料。通过红外光谱、能谱、扫描电子显微镜、紫外可见光谱和荧光光谱对制备的配合物进行了表征和性能测定。结果表明:溶液的pH值对产品的形貌和光致发光性能有重要的影响,通过调节溶液的p H值可以实现产品的形貌由纳米粒子到微米级椭球的有效调控。所有产品均在561,596,643 nm出现3条谱线,分别对应着钐离子的~4G_(5/2)→~6H_(5/2)、~4G_(5/2)→~6H_(7/2)和~4G_(5/2)→~6H_(9/2)的特征能级跃迁。当溶液的pH接近中性时,所制备的配合物样品的特征发射峰强度最大。