X-RAY FLUORESCENCE SPECTRA ANALYSIS ON THE STRUCTURE AROUND Ti^(4+) OF BaO-SiO_2-B_2O_3-TiO_2 SYSTEM GLASSES

The structure around Ti^(4+) in Bao-SiO_2 -B_2O_3-TiO_2 had been studied by X-ray fluorescence spectra. The results show that the Ti^(4+) mainly exists in the [TiO_4] and enters the network of [SiO_4]. [TiO_4] has the tendency to change to [TiO_6] with the increase of TiO_2 con-tent. When the TiO_2 content increases to about 20mol% the tendency reaches its maximum.

A method for neutron-induced gamma spectra decomposition analysis based on Geant4 simulation

In various monitoring and detection tools that use pulsed neutron generators as radiation sources,the gamma rays induced by the interaction with various nuclei at different stages of neutron transport can reflect information about the medium.These gamma rays are generated in two major interactions:inelastic scattering of fast neutrons and radiative capture of thermal neutrons,corresponding to the inelastic and capture gamma rays,respectively.However,the two types of gamma rays that reflect different properties of the medium are difficult to collect by normal detectors independently.The proportion of the two gamma rays needs to be solved for the separation of inelastic and capture gamma.Therefore,this study proposes an optimized spectra decomposition method to calculate the inelastic-to-capture ratio in the measured total gamma spectra based on the net inelastic and capture spectra obtained using the Geant4 simulation.Because the simulated data cannot reflect the energy resolution of the measured spectra,we introduce the Gaussian broadening function of the gamma detector while calculating the proportion of the spectra components,and achieve optimization of the proportion values and resolution parameters simultaneously.Based on the results,the total simulated spectra obtained by superimposing the broadened net inelastic and capture gamma spectra according to the calculated inelastic-to-capture ratio are in good agreement with their measured counterpart.

Evaluation of Dissolved Organic Carbon Using Synchronized Fluorescence Emission Spectra and Unsupervised Method of Principal Component Analysis (PCA) and Independent Component Analysis (ICA)

Dissolved organic matter (DOM) can be originated from autochthonous or allochthonous sources, where allochthonous DOM can be from pedogenic sources (humic substances—HSs) or anthropogenicsources (wastewater). The analysis of fluorescence emission, excitation, synchronous or excitation-emission matrix (EEM) have been used to identify the main source or probable contribution of dissolved compounds, such as humic acids (HA), fulvic acids (FA) and dissolved organic carbon (DOC) from sewage, but does not quantify. Fluorescence emission is a powerful technique to detect and qualify organic dissolved compounds but fails in quantitative aspects. In this work, we propose an in situ method for direct determination of DOC using synchronous fluorescence spectra with independent component analysis (ICA). Well known standard solutions were used for method development and validation. In this work, we show that it is possible to predict the number of independent contributions using an unsupervised method based on iterative Principal Component Analysis and Independent Component Analysis (PCA-ICA) approach over combined matrix results. Within these results it’s also possible to see that with a very small amount of independent components it is possible to describe environmental samples of HA, FA and primary productivity (PP).

Spectra analysis and O_2 evolution for TiO_2 photocatalyst compounded with indirect transition semiconductors

The photo absorbing, photo transmitting and photoluminescence performances of WiO2 photocatalysts compounded with V2O5 or WO3 were investigated by UV-Vis spectra, transmitting spectra, and PL spectra, respectively. The energy band structures of TiO2 photocatalysts were analyzed. The photocatalytic activities of the TiO2 photocatalysts were investigated by splitting of water for 02 evolution. The results indicate that the band gaps of WO3 and V205 are about 2.8 and 2.14 eV, respectively, and the band gap of rutile TiO2 is about 3.08 eV. Speeds of water splitting for 2%WO3-TiO2 and 8%V2O5-TiO2 photocatalysts are 420 and 110 μmol/（L.h）, respectively, under UV light irradiation. V2O5 and WO3 compounded with suitable concentration can improve the photocatalytic activity of TiO2 with Fe3＋ as electron acceptor.

THE SECOND LAW ANALYSIS OF GLOBAL IRRADIANCE BASED ON OBSERVED SPECTRAL DISTRIBUTIONS

There have emerged ample literature about the Second Law analysis of extraterrestrial and terrestrial solar radiation consequent to the pioneer works by R. Petela and D. C. Spanner, of which most are irrelevant to the frequency distribution of solar radiation. Since the Second Law analysis was introduced to the fields like photovoltaic and photosynthesis, rendering a need for a method closely related to solar radiation spectrum, some authors created wavelength dependent dilute factots to take the various influence of atmosphere on the frequency distribution into consideration. Because of the complexity of the influence on different frequency, it is not convenient and accurate enough to practically apply the present exergy theories of diluted solar radiation to real solar exergy systems at the surface of the earth. This paper shows a numerical method of Second Law analysis in dealing with the cases of diluted solar irradiance on the earth, based on the observed spectra of global direct and diffuse

Spectra-assisted laser focusing in quantitative analysis of laser-induced breakdown spectroscopy for copper alloys

Laser-induced breakdown spectroscopy(LIBS)is a capable technique for elementary analysis,while LIBS quantitation is still under development.In quantitation,precise laser focusing plays an important role because it ensures the distance between the laser and samples.In the present work,we employed spectral intensity as a direct way to assist laser focusing in LIBS quantitation for copper alloys.It is found that both the air emission and the copper line could be used to determine the position of the sample surface by referencing the intensity maximum.Nevertheless,the fine quantitation was only realized at the position where the air emission(e.g.O(I)777.4 nm)reached intensity maximum,and also in this way,a repeatable quantitation was successfully achieved even after 120 days.The results suggested that the LIBS quantitation was highly dependent on the focusing position of the laser,and spectra-assisted focusing could be a simple way to find the identical condition for different samples’detection.In the future,this method might be applicable in field measurements for LIBS analysis of solids.

Theoretical Analysis of Rydberg and Autoionizing State Spectra of Antimony

We calculate the Rydberg and autoionization Rydberg spectra of antimony （Sb） from first principles by relativistic multichannel theory within the framework of multichannel quantum defect theory. Our calculation can be used to classify and assign the atomic states described in recently reported three Rydberg series and four autoionizing states. The perturbation effects on line intensity, variation and line profile are discussed. Assignments of the perturber states and autoionizing states are presented.

Elemental composition x-ray fluorescence analysis with a TES-based high-resolution x-ray spectrometer

The accurate analysis of the elemental composition plays a crucial role in the research of functional materials.The emitting characteristic x-ray fluorescence(XRF)photons can be used for precisely discriminating the specified element.The detection accuracy of conventional XRF methodology using semiconductor detector is limited by the energy resolution,thus posing a challenge in accurately scaling the actual energy of each XRF photon.We adopt a novel high-resolution x-ray spectrometer based on the superconducting transition-edge sensor(TES)for the XRF spectroscopy measurement of different elements.Properties including high energy resolution,high detection efficiency and precise linearity of the new spectrometer will bring significant benefits in analyzing elemental composition via XRF.In this paper,we study the Ledge emission line profiles of three adjacent rare earth elements with the evenly mixed sample of their oxide components:terbium,dysprosium and holmium.Two orders of magnitude better energy resolution are obtained compared to a commercial silicon drift detector.With this TES-based spectrometer,the spectral lines overlapped or interfered by background can be clearly distinguished,thus making the chemical component analysis more accurate and quantitative.A database of coefficient values for the line strength of the spectrum can then be constructed thereafter.Equipped with the novel XRF spectrometer and an established coefficient database,a direct analysis of the composition proportion of a certain element in an unknown sample can be achieved with high accuracy.

The application of near-infrared spectra micro-image in the imaging analysis of biology samples

In this research,suitable imaging methods were used for acquiring single compound images ofbiology samples of chicken pectorales tissue section,tobacco dry leaf,fresh leaf and plantglandular hair,respectively.The adverse effects caused by the high water content and thethermal effect of near infrared(NIR)light were effectively solved during the experiment procedures and the data procesing.PCA algorithm was applied to the NIR micro-image of chickenpectorales tissue.Comparing the loading vector of PC3 with the NIR spectrum of dry albumen,the information of PC3 was confimmed to be provided mainly by protein,i.e.,the 3rd score imagerepresents the distribution trend of protein mainly.PCA algorithm was applied to the NIR micro-image of tobacco dry leaf.The information of PC2 was confimed to be provided by carbohydrateindluding starch mainly.Compared to the 2nd score image of tobacco dry leaf,the comparedcorelation image with the reference spectrum of starch had the same distribution trend as the 2nd score image.The comparative correla tion images with the reference spectra of protein,glucose,fructose and the total plant alkaloid were acquired to confirm the distribution trend ofthese compounds in tobacco dry leaf respectively.Comparative correlation images of fresh leafwith the reference spectra of protein,starch,fructose,ghucose and water were acquired to confim the distribution trend of these compounds in fresh leaf.Chemimap imaging of plant glandularhair was acquired to show the tubular structure clearly.

Setting Up Railway Track Crosswise Roughness Spectral Using Time Series Analysis Method

In this paper, the method of time series analysis——the maximum entropy spectrum estimation is used in setting up the track crosswise roughness power spectrum density functions (call simple “the track spectra”), the track spectra are obtained by process the data measured from the ground. The results obtained in the way are prove to be superior to those obtained with the "FFT" methods.

Improvement of tissue analysis and classification using optical coherence tomography combined with Raman spectroscopy

Optical coherence tomography(OCT)provides significant advantages of high resolution(approaching the histopathology level)realtime imaging of tsess without use of contrast agents.Based on these advantages,the microstructural features of tumors can be visualized and detected intra-operatively.However,it is still not clinically accepted for tumor margin delin-eation due to poor specificity and accuracy.In contrast,Raman spectroscopy(RS)can obtain tissue information at the molecular level,but does not provide real-time inaging capability.Therefore,combining OCT and RS could provide synergy.To this end,we present a tissue analysis and dassification method using both the slope of OCT intensity signal Vs depth and the principle components from the RS spectrum as the indicators for tissuse characterization.The goal of this study was to understand prediction accuracy of OCT and combined OCT/RS method for dassification of optically similar tisues and organs.Our pilot experiments were performed on mouse kidneys,livers,and small intestines(SIs).The prediction accuracy with five-fold cross validation of the method has been evaluated by the support vector machine(SVM)method.The results demonstrate that tissue characterization based on the OCT/RS method was superior compared to using OCT structural information alone.This combined OCT/RS method is potentially useful as a noninvasive optical biopsy technique for rapid and automatic tissue characterization during surgery.

A new analysis of the ν_2 fundamental band of H_2O^+

This paper reports that the absorption spectra of H2O^＋ have been measured by tunable mid-infrared diode laser spectroscopy in the spectral range of 1100-1380 cm^-1. The H2O＋ ions are generated in an AC glow discharge of the gaseous mixtures of H2O/He and detected with the velocity modulation technique. Forty new lines are assigned to the ν2 fundamental band of H2O^＋ （X^2B1）. The observed lines together with other data published previously are fitted to the standard effective Hamiltonian of an asymmetric top, yielding a set of improved rotational constants, spin-rotation constants and their quartic and sextic centrifugal distortion constants for the ν2=1 vibrational state of H2O＋.

Development of the Data Processing and Analysis System Framework for ICF Experiments

An idea is presented about the development of a data processing and analysis system for ICF experiments, which is based on an object oriented framework. The design and preliminary implementation of the data processing and analysis framework based on the ROOT system have been completed. Software for unfolding soft X-ray spectra has been developed to test the functions of this framework.

Simulation of radiation dose distribution and thermal analysis for the bulk shielding of an optimized molten salt reactor

The Chinese Academy of Science has launched a thorium-based molten-salt reactor(TMSR)research project with a mission to research and develop a fission energy system of the fourth generation.The TMSR project intends to construct a liquid fuel molten-salt reactor(TMSR-LF),which uses fluoride salt as both the fuel and coolant,and a solid fuel molten-salt reactor(TMSR-SF),which uses fluoride salt as coolant and TRISO fuel.An optimized 2 MWth TMSR-LF has been designed to solve major technological challenges in the Th-U fuel cycle.Preliminary conceptual shielding design has also been performed to develop bulk shielding.In this study,the radiation dose and temperature distribution of the shielding bulk due to the core were simulated and analyzed by performing Monte Carlo simulations and computational fluid dynamics(CFD)analysis.The MCNP calculated dose rate and neutron and gamma spectra indicate that the total dose rate due to the core at the external surface of the concrete wall was 1.91μSv/h in the radial direction,1.16μSv/h above and 1.33μSv/h below the bulk shielding.All the radiation dose rates due to the core were below the design criteria.Thermal analysis results show that the temperature at the outermost surface of the bulk shielding was 333.86 K,which was below the required limit value.The results indicate that the designed bulk shielding satisfies the radiation shielding requirements for the 2 MWth TMSR-LF.

Dual-parameter Correlation Analysis of the Fluorescence Data of 1-Methyl-2-formyl-5-substituted Pyrrole(4-nitrophenyl)hydrazones

By using 1-methyl-2-formyl-5 -Y-substituted pyrrole (4-nitrophenyl)hydrazones as a model for nitrogen-containing heterocyclic aromatic compounds, the emission wavelength [lambda(max(em))] values df their fluorescence spectra have been measured. Correlation results show that the Delta E-em values are mainly affected by polar effects, but spin-delocalizatin effects also exist.

Multifractal Analysis of the Asympyotically Additive Potentials

Multifractal analysis studies level sets of asymptotically defined quantities in dynamical systems. In this paper, we consider the u-dimension spectra on such level sets and establish a conditional variational principle for general asymptotically additive potentials by requiring only existence and uniqueness of equilibrium states for a dense subspace of potential functions.

Functional Analysis of Chemometric Data

The objective of this paper is to present a review of different calibration and classification methods for functional data in the context of chemometric applications. In chemometric, it is usual to measure certain parameters in terms of a set of spectrometric curves that are observed in a finite set of points (functional data). Although the predictor variable is clearly functional, this problem is usually solved by using multivariate calibration techniques that consider it as a finite set of variables associated with the observed points (wavelengths or times). But these explicative variables are highly correlated and it is therefore more informative to reconstruct first the true functional form of the predictor curves. Although it has been published in several articles related to the implementation of functional data analysis techniques in chemometric, their power to solve real problems is not yet well known. Because of this the extension of multivariate calibration techniques (linear regression, principal component regression and partial least squares) and classification methods (linear discriminant analysis and logistic regression) to the functional domain and some relevant chemometric applications are reviewed in this paper.

Fluorometric Discrimination Technique of Phytoplankton Population Based on Wavelet Analysis

The discrete excitation-emission-matrix fluorescence spectra (EEMS) at 12 excitation wavelengths (400, 430, 450, 460, 470, 490, 500, 510, 525, 550, 570, and 590 nm) and emission wavelengths ranging from 600-750 nm were determined for 43 phytoplankton species. A two-rank fluorescence spectra database was established by wavelet analysis and a fluorometric discrimination technique for determining phytoplankton population was developed. For laboratory simulatively mixed samples, the samples mixed from 43 algal species (the algae of one division accounted for 25%, 50%, 75%, 85%, and 100% of the gross biomass, respectively), the average discrimination rates at the level of division were 65.0%, 87.5%, 98.6%, 99.0%, and 99.1%, with average relative contents of 18.9%, 44.5%, 68.9%, 73.4%, and 82.9%, respectively; the samples mixed from 32 red tide algal species (the dominant species accounted for 60%, 70%, 80%, 90%, and 100% of the gross biomass, respectively), the average correct discrimination rates of the dominant species at the level of genus were 63.3%, 74.2%, 78.8%, 83.4%, and 79.4%, respectively. For the 81 laboratory mixed samples with the dominant species accounting for 75% of the gross biomass (chlorophyll), the discrimination rates of the dominant species were 95.1% and 72.8% at the level of division and genus, respectively. For the 12 samples collected from the mesocosm experiment in Maidao Bay of Qingdao in August 2007, the dominant species of the 11 samples were recognized at the division level and the dominant species of four of the five samples in which the dominant species accounted for more than 80% of the gross biomass were discriminated at the genus level; for the 12 samples obtained from Jiaozhou Bay in August 2007, the dominant species of all the 12 samples were recognized at the division level. The technique can be directly applied to fluorescence spectrophotometers and to the developing of an in situ algae fluorescence auto-analyzer for phytoplankton population.

A Study of the Effect of Soil Improvement Based on the Numerical Site Response Analysis of Natural Ground in Babol City

A series of numerical calculations have been performed to investigate the effect of soil improvement on seismic site response. Seismic site response analyses were also performed using data collected from a study area in Babol city. The improved site is a composite ground and has more or less different mechanical properties than the natural ground. In this research, the influence of the elastic modulus of the pile, the pile distance ratio, ground motion input, distance to fault rupture, and PGA of the earthquakes on seismic response characteristics are especially investigated. The results reveal that the values of the PGA and amplification factor on the surface of the natural and improved grounds depend strongly on the fundamental period of the site, the predominant period, and the intensity of the ground motion input. The acceleration response spectra also are affected by the characteristics of ground motion input and soil layers. Changing the pile distance ratio doesn’t have a significant effect on the seismic response of the site.

Investigation on Physiological Status of Regional Vegetation Using Pushbroom Hyperspectral Imager Data

To extract vegetation pigment concentration and physiological status has been studied in two test areas covered with swamp and flourish vegetation using pushbroom hyperspectral imager (PHI) data which flied in September of 2000 at Daxing'anling district of Heilongjiang Province, China. The ratio analysis of reflectance spectra (RARS) indices, which were put forward by Chappelle et al (1992), are chosen in this paper owing to their effect and simpleness against both comparison with various methods and techniques for exploration of pigment concentration and characteristics of PHI data. The correlation coefficients between RARS indices and pigment concentration of vegetation were up to 0.8. The new RARS indices modes are established in the two test areas using both PHI data and spectra of different vegetations measured in the field. The indices' parameter images of chlorophyll a (Chl a), chlorophyll b (Chl b) and carotenoids (Cars) of the test areas covered with swamp and flourish vegetation are acquired by the new RARS indices modes. Furthermore, the regional concentration of Chl a and Chl b are extracted and quantified using regression equations between RARS indices and pigment concentrations, which were built by Blackburn (1998). The results showed the physiological status and variety clearly, and are in good agreement with the distribution of vegetation in the field.