SimLabel: a graphical user interface to simulate continuous wave EPR spectra from site-directed spin labeling experiments.

Science.gov (United States)

Etienne, E; Le Breton, N; Martinho, M; Mileo, E; Belle, V

2017-08-01

Site-directed spin labeling (SDSL) combined with continuous wave electron paramagnetic resonance (cw EPR) spectroscopy is a powerful technique to reveal, at the residue level, structural transitions in proteins. SDSL-EPR is based on the selective grafting of a paramagnetic label on the protein under study, followed by cw EPR analysis. To extract valuable quantitative information from SDSL-EPR spectra and thus give reliable interpretation on biological system dynamics, numerical simulations of the spectra are required. Such spectral simulations can be carried out by coding in MATLAB using functions from the EasySpin toolbox. For non-expert users of MATLAB, this could be a complex task or even impede the use of such simulation tool. We developed a graphical user interface called SimLabel dedicated to run cw EPR spectra simulations particularly coming from SDSL-EPR experiments. Simlabel provides an intuitive way to visualize, simulate, and fit such cw EPR spectra. An example of SDSL-EPR spectra simulation concerning the study of an intrinsically disordered region undergoing a local induced folding is described and discussed. We believe that this new tool will help the users to rapidly obtain reliable simulated spectra and hence facilitate the interpretation of their results. Copyright © 2017 John Wiley & Sons, Ltd. Copyright © 2017 John Wiley & Sons, Ltd.

Continuous Integration in PHP web applications development

OpenAIRE

Hujer, Martin

2011-01-01

This work deals with continuous integration of web applications, especially those in PHP language. The main objective is the selection of the server for continuous integration, its deployment and configuration for continuous integration of PHP web applications. The first chapter describes the concept of continuous integration and its individual techniques. The second chapter deals with the choice of server for continuous integration and its basic settings. The third chapter contains an overvi...

Detection of undistorted continuous wave (CW) electron paramagnetic resonance (EPR) spectra with non-adiabatic rapid sweep (NARS) of the magnetic field

Science.gov (United States)

Kittell, Aaron W.; Camenisch, Theodore G.; Ratke, Joseph J.; Sidabras, Jason W.; Hyde, James S.

2011-01-01

A continuous wave (CW) electron paramagnetic resonance (EPR) spectrum is typically displayed as the first harmonic response to the application of 100 kHz magnetic field modulation, which is used to enhance sensitivity by reducing the level of 1/f noise. However, magnetic field modulation of any amplitude causes spectral broadening and sacrifices EPR spectral intensity by at least a factor of two. In the work presented here, a CW rapid-scan spectroscopic technique that avoids these compromises and also provides a means of avoiding 1/f noise is developed. This technique, termed non-adiabatic rapid sweep (NARS) EPR, consists of repetitively sweeping the polarizing magnetic field in a linear manner over a spectral fragment with a small coil at a repetition rate that is sufficiently high that receiver noise, microwave phase noise, and environmental microphonics, each of which has 1/f characteristics, are overcome. Nevertheless, the rate of sweep is sufficiently slow that adiabatic responses are avoided and the spin system is always close to thermal equilibrium. The repetitively acquired spectra from the spectral fragment are averaged. Under these conditions, undistorted pure absorption spectra are obtained without broadening or loss of signal intensity. A digital filter such as a moving average is applied to remove high frequency noise, which is approximately equivalent in bandwidth to use of an integrating time constant in conventional field modulation with lock-in detection. Nitroxide spectra at L- and X-band are presented. PMID:21741868

An application of deep learning in the analysis of stellar spectra

Science.gov (United States)

Fabbro, S.; Venn, K. A.; O'Briain, T.; Bialek, S.; Kielty, C. L.; Jahandar, F.; Monty, S.

2018-04-01

Spectroscopic surveys require fast and efficient analysis methods to maximize their scientific impact. Here, we apply a deep neural network architecture to analyse both SDSS-III APOGEE DR13 and synthetic stellar spectra. When our convolutional neural network model (StarNet) is trained on APOGEE spectra, we show that the stellar parameters (temperature, gravity, and metallicity) are determined with similar precision and accuracy as the APOGEE pipeline. StarNet can also predict stellar parameters when trained on synthetic data, with excellent precision and accuracy for both APOGEE data and synthetic data, over a wide range of signal-to-noise ratios. In addition, the statistical uncertainties in the stellar parameter determinations are comparable to the differences between the APOGEE pipeline results and those determined independently from optical spectra. We compare StarNet to other data-driven methods; for example, StarNet and the Cannon 2 show similar behaviour when trained with the same data sets; however, StarNet performs poorly on small training sets like those used by the original Cannon. The influence of the spectral features on the stellar parameters is examined via partial derivatives of the StarNet model results with respect to the input spectra. While StarNet was developed using the APOGEE observed spectra and corresponding ASSET synthetic data, we suggest that this technique is applicable to other wavelength ranges and other spectral surveys.

Application of genetic algorithm for extraction of the parameters from powder EPR spectra

International Nuclear Information System (INIS)

Spalek, T.; Pietrzyk, P.; Sojka, Z.

2005-01-01

The application of the stochastic genetic algorithm in tandem with the deterministic Powell method to automated extraction of the magnetic parameters from powder EPR spectra was described. The efficiency and robustness of such hybrid approach were investigated as a function of the uncertainty range of parameters, using simulated data sets. The discussed results demonstrate superior performance of the hybrid genetic algorithm in fitting of complex spectra in comparison to the common Monte Carlo Method joint with the Powell refinement. (author)

Characterization of continuous and pulsed emission modes of a hybrid micro focus x-ray source for medical imaging applications

International Nuclear Information System (INIS)

Ghani, Muhammad U.; Wong, Molly D.; Ren, Liqiang; Wu, Di; Zheng, Bin; Rong, John X.; Wu, Xizeng; Liu, Hong

2017-01-01

The aim of this study was to quantitatively characterize a micro focus x-ray tube that can operate in both continuous and pulsed emission modes. The micro focus x-ray source (Model L9181-06, Hamamatsu Photonics, Japan) has a varying focal spot size ranging from 16 µm to 50 µm as the source output power changes from 10 to 39 W. We measured the source output, beam quality, focal spot sizes, kV accuracy, spectra shapes and spatial resolution. Source output was measured using an ionization chamber for various tube voltages (kVs) with varying current (µA) and distances. The beam quality was measured in terms of half value layer (HVL), kV accuracy was measured with a non-invasive kV meter, and the spectra was measured using a compact integrated spectrometer system. The focal spot sizes were measured using a slit method with a CCD detector with a pixel pitch of 22 µm. The spatial resolution was quantitatively measured using the slit method with a CMOS flat panel detector with a 50 µm pixel pitch, and compared to the qualitative results obtained by imaging a contrast bar pattern. The focal spot sizes in the vertical direction were smaller than that of the horizontal direction, the impact of which was visible when comparing the spatial resolution values. Our analyses revealed that both emission modes yield comparable imaging performances in terms of beam quality, spectra shape and spatial resolution effects. There were no significantly large differences, thus providing the motivation for future studies to design and develop stable and robust cone beam imaging systems for various diagnostic applications. - Highlights: • A micro focus x-ray source that operates in both continuous and pulse emission modes was quantitatively characterized. • The source output, beam quality, focal spot measurements, kV accuracy, spectra analyses and spatial resolution were measured. • Our analyses revealed that both emission modes yield comparable imaging performances in terms of beam

Characterization of continuous and pulsed emission modes of a hybrid micro focus x-ray source for medical imaging applications

Energy Technology Data Exchange (ETDEWEB)

Ghani, Muhammad U.; Wong, Molly D.; Ren, Liqiang; Wu, Di; Zheng, Bin [Center for Biomedical Engineering and School of Electrical and Computer Engineering, University of Oklahoma, Norman, OK 73019 (United States); Rong, John X. [Department of Imaging Physics, University of Texas MD Anderson Cancer Center, Houston, TX 77030 (United States); Wu, Xizeng [Department of Radiology, University of Alabama at Birmingham, Birmingham, AL 35249 (United States); Liu, Hong, E-mail: liu@ou.edu [Center for Biomedical Engineering and School of Electrical and Computer Engineering, University of Oklahoma, Norman, OK 73019 (United States)

2017-05-01

The aim of this study was to quantitatively characterize a micro focus x-ray tube that can operate in both continuous and pulsed emission modes. The micro focus x-ray source (Model L9181-06, Hamamatsu Photonics, Japan) has a varying focal spot size ranging from 16 µm to 50 µm as the source output power changes from 10 to 39 W. We measured the source output, beam quality, focal spot sizes, kV accuracy, spectra shapes and spatial resolution. Source output was measured using an ionization chamber for various tube voltages (kVs) with varying current (µA) and distances. The beam quality was measured in terms of half value layer (HVL), kV accuracy was measured with a non-invasive kV meter, and the spectra was measured using a compact integrated spectrometer system. The focal spot sizes were measured using a slit method with a CCD detector with a pixel pitch of 22 µm. The spatial resolution was quantitatively measured using the slit method with a CMOS flat panel detector with a 50 µm pixel pitch, and compared to the qualitative results obtained by imaging a contrast bar pattern. The focal spot sizes in the vertical direction were smaller than that of the horizontal direction, the impact of which was visible when comparing the spatial resolution values. Our analyses revealed that both emission modes yield comparable imaging performances in terms of beam quality, spectra shape and spatial resolution effects. There were no significantly large differences, thus providing the motivation for future studies to design and develop stable and robust cone beam imaging systems for various diagnostic applications. - Highlights: • A micro focus x-ray source that operates in both continuous and pulse emission modes was quantitatively characterized. • The source output, beam quality, focal spot measurements, kV accuracy, spectra analyses and spatial resolution were measured. • Our analyses revealed that both emission modes yield comparable imaging performances in terms of beam

Analysis of discrete and continuous laser induced fluorescence spectra of the A 1Σsub(u)+-X 1Σsub(g)+ band system of Sr2

International Nuclear Information System (INIS)

Gerber, G.; Moeller, R.

1982-01-01

Laser induced fluorescence spectra of the gaseous Sr 2 excimer molecule have been measured. The spectra contain discrete molecular fluorescence series, regularly modulated continuous fluorescence and an unstructured continuum. Analysis of the molecular line spectra yields for the first time Dunham coefficients for the X 1 Σsub(g) + ground state and the A 1 Σsub(u) + excited state. Using the intensity distribution of the modulated continuum which is associated with bound-free transitions the repulsive potential of the ground state up to 3000 cm -1 above the dissociation limit has been determined. The unstructured continuum can be analyzed as due to two types of continuous fluorescence. The dissociation energy of Sr 2 has been determined to Dsub(e)(X) = 965 +- 45 cm -1 . (Auth.)

Analysis of discrete and continuous laser induced fluorescence spectra of the A 1μ+sub(u) - X 1μ+sub(g) band system of SR2

International Nuclear Information System (INIS)

Gerber, G.; Moeller, R.

1982-01-01

Laser induced fluorescence spectra of the gaseous Sr 2 excimer molecule have been measured. The spectra contain discrete molecular fluorescence series, regularly modulated continuous fluorescence and an unstructured continuum. Analysis of the molecular line spectra yields for the first time Dunham coefficients for the X 1 μ + sub(g) ground state and the A 1 μ + sub(u) excited state. Using the intensity distribution of the modulated continuum which is associated with bound-free transitions the repulsive potential of the ground state up to 3000 cm - 1 above the dissociation limit has been determined. The unstructured continuum can be analyzed as due to two types of continuous fluorescence. The dissociation energy of Sr 2 has been determined to Dsub(e) (X) = 965 +- 45 cm - 1 . (Author)

A rapid method of estimating the solar irradiance spectra with potential lighting applications

NARCIS (Netherlands)

Gao, Y.; Dong, J.; Isabella, O.; Zeman, M.; Zhang, G

2016-01-01

Diverse solar irradiance spectra can be observed under different conditions of time, date, location, weather, etc. Since the solar irradiance spectrum is required by certain scientific and engineering applications, obtaining accurate spectral data is essential. Measurements by spectrophotometers are

14 CFR 431.73 - Continuing accuracy of license application; application for modification of license.

Science.gov (United States)

2010-01-01

... 14 Aeronautics and Space 4 2010-01-01 2010-01-01 false Continuing accuracy of license application; application for modification of license. 431.73 Section 431.73 Aeronautics and Space COMMERCIAL SPACE... Conditions § 431.73 Continuing accuracy of license application; application for modification of license. (a...

Macrostructure of ultraviolet continuous spectra of stars according to the data of OAO-2

International Nuclear Information System (INIS)

Rustambekova, S.S.

1984-01-01

On the basis of OAO-2 data, the presence of a depression has been established in the ultraviolet continuous spectra of 22 hot stars out of 134 that were analyzed. The depression is mainly in the region 2200-2400 A. However, the wavelength corresponding to the maximum of the depression drifts to shorter wavelengths on the transition to stars of earlier classes. The errors in taking into account the influence of interstellar absorption do not influence the final conclusions with regard to the presence or absence of depression. The obtained results confirm an earlier conclusion, namely, that a depression in the ultraviolet is a fairly common phenomenon among hot stars and that this depression can be regarded as a sensitive indicator of the presence of circumstellar clouds. 14 references

37 CFR 1.178 - Original patent; continuing duty of applicant.

Science.gov (United States)

2010-07-01

... 37 Patents, Trademarks, and Copyrights 1 2010-07-01 2010-07-01 false Original patent; continuing... Provisions Reissues § 1.178 Original patent; continuing duty of applicant. (a) The application for reissue of... upon reissue of the patent. Until a reissue application is granted, the original patent shall remain in...

Advances in continuous gamma-ray spectrometry and applications

International Nuclear Information System (INIS)

Gold, R.; McNeece, J.P.; Kaiser, B.J.

1984-07-01

Recent advances and applications in continuous Compton recoil gamma-ray spectrometry are described. Applications of continuous gamma-ray spectrometry are presented for: (1) Characterization of light water reactor (LWR) pressures vessel (PV) environments. (2) Assessment of fuel distributions for Three Mile Island Unit 2 (TMI-2) reactor recovery. (3) Measurement of LWR-PV-neutron exposure. The latest improvements attained with the Janus probe, a special in-situ configuration of Si(Li) detectors, are presented. The status of current efforts to extend the domain of applicability of this method beyond 3 MeV is discussed with emphasis on recent work carried out with Si(Li) detectors of much larger volume

Deconvolution of Positrons' Lifetime spectra

International Nuclear Information System (INIS)

Calderin Hidalgo, L.; Ortega Villafuerte, Y.

1996-01-01

In this paper, we explain the iterative method previously develop for the deconvolution of Doppler broadening spectra using the mathematical optimization theory. Also, we start the adaptation and application of this method to the deconvolution of positrons' lifetime annihilation spectra

Fourier Deconvolution Methods for Resolution Enhancement in Continuous-Wave EPR Spectroscopy.

Science.gov (United States)

Reed, George H; Poyner, Russell R

2015-01-01

An overview of resolution enhancement of conventional, field-swept, continuous-wave electron paramagnetic resonance spectra using Fourier transform-based deconvolution methods is presented. Basic steps that are involved in resolution enhancement of calculated spectra using an implementation based on complex discrete Fourier transform algorithms are illustrated. Advantages and limitations of the method are discussed. An application to an experimentally obtained spectrum is provided to illustrate the power of the method for resolving overlapped transitions. © 2015 Elsevier Inc. All rights reserved.

Continuous-time Markov decision processes theory and applications

CERN Document Server

Guo, Xianping

2009-01-01

This volume provides the first book entirely devoted to recent developments on the theory and applications of continuous-time Markov decision processes (MDPs). The MDPs presented here include most of the cases that arise in applications.

Optical spectra analysis for breast cancer diagnostics

Science.gov (United States)

Belkov, S. A.; Kochemasov, G. G.; Lyubynskaya, T. E.; Maslov, N. V.; Nuzhny, A. S.; da Silva, L. B.; Rubenchik, A.

2011-11-01

Minimally invasive probe and optical biopsy system based on optical spectra recording and analysis seem to be a promising tool for early diagnostics of breast cancer. Light scattering and absorption spectra are generated continuously as far as the needle-like probe with one emitting and several collecting optical fibers penetrates through the tissues toward to the suspicious area. That allows analyzing not only the state of local site, but also the structure of tissues along the needle trace. The suggested method has the advantages of automated on-line diagnosing and minimal tissue destruction and in parallel with the conventional diagnostic procedures provides the ground for decision-making. 165 medical trials were completed in Nizhny Novgorod Regional Oncology Centre, Russia. Independent diagnoses were the results of fine biopsy and histology. Application of wavelet expansion and clasterization techniques for spectra analysis revealed several main spectral types for malignant and benign tumors. Automatic classification algorithm demonstrated specificity ˜90% and sensitivity ˜91%. Large amount of information, fuzziness in criteria and data noisiness make neural networks to be an attractive analytic tool. The model based on three-layer perceptron was tested over the sample of 29 `cancer' and 29 `non-cancer' cases and demonstrated total separation.

Correlation Functions and Power Spectra

DEFF Research Database (Denmark)

Larsen, Jan

2006-01-01

The present lecture note is a supplement to the textbook Digital Signal Processing by J. Proakis and D.G. Manolakis used in the IMM/DTU course 02451 Digital Signal Processing and provides an extended discussion of correlation functions and power spectra. The definitions of correlation functions...... and spectra for discrete-time and continuous-time (analog) signals are pretty similar. Consequently, we confine the discussion mainly to real discrete-time signals. The Appendix contains detailed definitions and properties of correlation functions and spectra for analog as well as discrete-time signals....... It is possible to define correlation functions and associated spectra for aperiodic, periodic and random signals although the interpretation is different. Moreover, we will discuss correlation functions when mixing these basic signal types. In addition, the note include several examples for the purpose...

Displacement cross sections and PKA spectra: tables and applications

International Nuclear Information System (INIS)

Doran, D.G.; Graves, N.J.

1976-12-01

Damage energy cross sections to 20 MeV are given for aluminum, vanadium, chromium, iron, nickel, copper, zirconium, niobium, molybdenum, tantalum, tungsten, lead, and 18Cr10Ni stainless steel. They are based on ENDF/B-IV nuclear data and the Lindhard energy partition model. Primary knockon atom (PKA) spectra are given for aluminum, iron, niobium, tantalum, and lead for neutron energies up to 15 MeV at approximately one-quarter lethargy intervals. The contributions of various reactions to both the displacement cross sections (taken to be proportional to the damage energy cross sections) and the PKA spectra are presented graphically. Spectral-averaged values of the displacement cross sections are given for several spectra, including approximate maps for the Experimental Breeder Reactor-II (EBR-II) and several positions in the Fast Test Reactor (FTR). Flux values are included to permit estimation of displacement rates. Graphs show integral PKA spectra for the five metals listed above for neutron spectra corresponding to locations in the EBR-II, the High Flux Isotope Reactor (HFIR), and a conceptual fusion reactor (UWMAK-I). Detailed calculations are given only for cases not previously documented. Uncertainty estimates are included

Numerical methods to analyze alpha spectra and application to the study of neptunium 237 and neptunium 236

International Nuclear Information System (INIS)

Garcia-Torano, E.

1990-01-01

A set of numerical methods to analize alpha spectra measured with semiconductor detectors are presented. The methods can be divided in two groups, the first being based in the X 2 minimization ands the second in the use of the Fourier Transform. The methods based in the minimization of X 2 can, in turn, be divided according to the model used to fit the spectra. Some of them use a monoenergetic line for the intercomparison with the other peaks in the same spectrum. The others take into account the analytical function developed to represent an alpha line. Both allow the determination of positions and areas of the components, as well as the uncertainties of the results. The Fast Fourier Transform is applied to the second group of methods, which include the smoothing of experimental data, and the deconvolution of spectra. Examples are given of the application of these methods to real spectra. The alpha spectra of 237 Np and 236 Np are studied by using some of the methods described in this work. (Author)

Proposal and Evaluation of Subordinate Standard Solar Irradiance Spectra for Applications in Solar Energy Systems

Energy Technology Data Exchange (ETDEWEB)

Habte, Aron M [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Jessen, Wilko [German Aerospace Center (DLR); Wilbert, Stefan [German Aerospace Center (DLR); Gueymard, Christian A. [Solar Consulting Services; Polo, Jesus [CIEMAT; Bian, Zeqiang [China Meteorological Administration; Driesse, Anton [Photovoltaic Performance Labs; Marzo, Aitor [University of Antofagasta; Armstrong, Peter [Masdar Institute of Science & Technology; Vignola, Frank [University of Oregon; Ramirez, Lourdes [CIEMAT

2018-04-01

correspond to potential accuracy improvements for a quick estimation of the average efficiency by applying the appropriate subordinate standard spectrum instead of the IEC/G173 spectra. The applicability of these spectra for PV performance analyses is confirmed at five test sites, for which subordinate spectra could be intuitively selected based on the average atmospheric aerosol optical depth (AOD) and precipitable water vapor at those locations. The development of subordinate standard spectra for DNI and concentrating solar power (CSP) and concentrating PV (CPV) is also considered. However, it is found that many more sets of atmospheric conditions would be required to allow the intuitive selection of DNI spectra for the five test sites, due in particular to the stronger effect of AOD on DNI compared to GTI. The matrix of subordinate GTI spectra described in this paper are recommended to appear as an option in the annex of future standards, in addition to the obligatory use of the main spectrum from the ASTM G173 and IEC 60904 standards.

Application of the Oslo method to high resolution gamma spectra

Science.gov (United States)

Simon, A.; Guttormsen, M.; Larsen, A. C.; Beausang, C. W.; Humby, P.

2015-10-01

Hauser-Feshbach statistical model is a widely used tool for calculation of the reaction cross section, in particular for astrophysical processes. The HF model requires as an input an optical potential, gamma-strength function (GSF) and level density (LD) to properly model the statistical properties of the nucleus. The Oslo method is a well established technique to extract GSFs and LDs from experimental data, typically used for gamma-spectra obtained with scintillation detectors. Here, the first application of the Oslo method to high-resolution data obtained using the Ge detectors of the STARLITER setup at TAMU is discussed. The GSFs and LDs extracted from (p,d) and (p,t) reactions on 152154 ,Sm targets will be presented.

The multi-resolution capability of Tchebichef moments and its applications to the analysis of fluorescence excitation-emission spectra

Science.gov (United States)

Li, Bao Qiong; Wang, Xue; Li Xu, Min; Zhai, Hong Lin; Chen, Jing; Liu, Jin Jin

2018-01-01

Fluorescence spectroscopy with an excitation-emission matrix (EEM) is a fast and inexpensive technique and has been applied to the detection of a very wide range of analytes. However, serious scattering and overlapping signals hinder the applications of EEM spectra. In this contribution, the multi-resolution capability of Tchebichef moments was investigated in depth and applied to the analysis of two EEM data sets (data set 1 consisted of valine-tyrosine-valine, tryptophan-glycine and phenylalanine, and data set 2 included vitamin B1, vitamin B2 and vitamin B6) for the first time. By means of the Tchebichef moments with different orders, the different information in the EEM spectra can be represented. It is owing to this multi-resolution capability that the overlapping problem was solved, and the information of chemicals and scatterings were separated. The obtained results demonstrated that the Tchebichef moment method is very effective, which provides a promising tool for the analysis of EEM spectra. It is expected that the applications of Tchebichef moment method could be developed and extended in complex systems such as biological fluids, food, environment and others to deal with the practical problems (overlapped peaks, unknown interferences, baseline drifts, and so on) with other spectra.

Scikit-spectra: Explorative Spectroscopy in Python

Directory of Open Access Journals (Sweden)

Adam Hughes

2015-06-01

Full Text Available Scikit-spectra is an intuitive framework for explorative spectroscopy in Python. Scikit-spectra leverages the Pandas library for powerful data processing to provide datastructures and an API designed for spectroscopy. Utilizing the new IPython Notebook widget system, scikit-spectra is headed towards a GUI when you want it, API when you need it approach to spectral analysis. As an application, analysis is presented of the surface-plasmon resonance shift in a solution of gold nanoparticles induced by proteins binding to the gold’s surface. Please refer to the scikit-spectra website for full documentation and support: http://hugadams.github.io/scikit-spectra/

Quantification of aluminium-27 NMR spectra of high-surface-area oxides

International Nuclear Information System (INIS)

Pearson, R.M.; Schramm, C.M.

1990-01-01

This paper discusses the quantitation of 27 Al NMR spectra. It is showns that the so called 'invisible' aluminium atoms seen by recent workers are completely consistent with known continuous wave NMR studies of the 27 Al NMR spectra of high surface area aluminium oxides. The use of pulsed NMR techniques further complicate the quantitative measurement of 27 Al NMR spectra, especially when high resolution NMR spectrometers are used for this purpose. Methods are described which allow both the estimation of aluminium not seen by continuous wave techniques and the amounts of the NMR spectra lost in pulsed work. (author). 24 refs.; 6 figs.; 1 tab

Good Abundances from Bad Spectra: II. Application and a New Stellar Color-Temperature Calibration

Science.gov (United States)

Jones, J. Bryn; Wyse, Rosemary F. G.; Gilmore, Gerard

1995-07-01

Stellar spectra derived from current multiple-object fiber-fed spectroscopic radial-velocity surveys, of the type feasible with, among other examples, AUTOFIB, 2dF, HYDRA, NESSIE, and the Sloan survey, differ significantly from those traditionally used for determination of stellar abundances. The spectra tend to be of moderate resolution (around 1 A) and signal-to-noise ratio (around 10-20 per resolution element), and cannot usually have reliable continuum shapes determined over wavelength ranges in excess of a few tens of Angstroms. Nonetheless, with care and a calibration of stellar effective temperature from photometry, independent of the spectroscopy, reliable iron abundances can be derived. We have developed techniques to extract true iron abundances and surface gravities from low signal-to-noise ratio, intermediate resolution spectra of G-type stars in the 4000-5000A wavelength region. The theoretical basis and calibration using synthetic spectra are described in detail in another paper (Jones, Gilmore and Wyse, 1995). The practical application of these techniques to observational data, which requires some modification from the ideal case of synthetic data, is given in the present paper. An externally-derived estimate of stellar effective temperature is required in order to constrain parameter space sufficiently; a new derivation of the V-I effective temperature relation is thus an integral part of the analysis presented here. We have derived this relationship from analysis of available relevant data for metal-poor G dwarfs, the first such calibration. We test and calibrate our techniques by analysis of spectra of the twilight sky, of member stars of the cluster M67, and of a set of field stars of known metallicity. We show that this method, combined with our new color-temperature calibration, can provide true iron abundances, with an uncertainty of less than 0.2 dex over the range of metallicty found in the Galactic thick and thin disks, from spectra

Application of Wavelets and Quaternions to NIR Spectra Classification

International Nuclear Information System (INIS)

Barcala Riveira, J. M.; Fernandez Marron, J. L.; Alberdi Primicia, J.; Navarrete Marin, J. J.; Oller Gonzalez, J.C.

2003-01-01

This document describes how multi resolution analysis can combine with the use of quaternions to identify near infrared spectra. The method is applied to spectra of plastics usually present in domestic wastes. First, Haar wavelet is applied to spectrum. With the coefficients obtained, a quaternion is built. We named this quaternion a characteristic quaternion. Distances to characteristic quaternions are used to classify new quaternions. (Author) 54 refs

Reactor antineutrino spectra and their application to antineutrino-induced reactions II

International Nuclear Information System (INIS)

Vogel, P.; Schenter, G.K.; Mann, F.M.; Schenter, R.E.

1980-12-01

The antineutrino and electron spectra associated with various nuclear fuels are calculated. There are substantial differences between the spectra of different uranium and plutonium isotopes. On the other hand, the dependence on the energy and flux of the fission inducing neutrons is very weak. The resulting spectra can be used for calculation of the antineutrino and electron spectra of an arbitrary nuclear reactor at various stages of its refueling cycle. The sources of uncertainties in the spectrum are identified and analyzed in detail. The exposure time dependence of the spectrum is also discussed. The resulting anti ν/sub e/ spectra are then used to calculate the averaged cross sections of the inverse neutron β decay, weak charged and neutral current induced deuteron disintegration, and the antineutrino-electron scattering

Response spectra in alluvial soils

International Nuclear Information System (INIS)

Chandrasekharan, A.R.; Paul, D.K.

1975-01-01

For aseismic design of structures, the ground motion data is assumed either in the form of ground acceleration as a function of time or indirectly in the form of response spectra. Though the response spectra approach has limitations like not being applicable for nonlinear problems, it is usually used for structures like nuclear power plants. Fifty accelerograms recorded at alluvial sites have been processed. Since different empirical formulas relating acceleration with magnitude and distance give a wide scatter of values, peak ground acceleration alone cannot be the parameter as is assumed by a number of authors. The spectra corresponding to 5% damping have been normalised with respect to three parameters, namely, peak ground acceleration, peak ground velocity and a nondimensional quantity ad/v 2 . Envelopee of maxima and minima as well as average response spectra has been obtained. A comparison with the USAEC spectra has been made. A relation between ground acceleration, ground velocity and ad/v 2 has been obtained which would nearly give the same magnification of the response. A design response spectra for alluvial soils has been recommended. (author)

Rotational structure in molecular infrared spectra

CERN Document Server

di Lauro, Carlo

2013-01-01

Recent advances in infrared molecular spectroscopy have resulted in sophisticated theoretical and laboratory methods that are difficult to grasp without a solid understanding of the basic principles and underlying theory of vibration-rotation absorption spectroscopy. Rotational Structure in Molecular Infrared Spectra fills the gap between these recent, complex topics and the most elementary methods in the field of rotational structure in the infrared spectra of gaseous molecules. There is an increasing need for people with the skills and knowledge to interpret vibration-rotation spectra in many scientific disciplines, including applications in atmospheric and planetary research. Consequently, the basic principles of vibration-rotation absorption spectroscopy are addressed for contemporary applications. In addition to covering operational quantum mechanical methods, spherical tensor algebra, and group theoretical methods applied to molecular symmetry, attention is also given to phase conventions and their effe...

Application of unsymmetrical indirect covariance NMR methods to the computation of the (13)C (15)N HSQC-IMPEACH and (13)C (15)N HMBC-IMPEACH correlation spectra.

Science.gov (United States)

Martin, Gary E; Hilton, Bruce D; Irish, Patrick A; Blinov, Kirill A; Williams, Antony J

2007-10-01

Utilization of long-range (1)H--(15)N heteronuclear chemical shift correlation has continually grown in importance since the first applications were reported in 1995. More recently, indirect covariance NMR methods have been introduced followed by the development of unsymmetrical indirect covariance processing methods. The latter technique has been shown to allow the calculation of hyphenated 2D NMR data matrices from more readily acquired nonhyphenated 2D NMR spectra. We recently reported the use of unsymmetrical indirect covariance processing to combine (1)H--(13)C GHSQC and (1)H--(15)N GHMBC long-range spectra to yield a (13)C--(15)N HSQC-HMBC chemical shift correlation spectrum that could not be acquired in a reasonable period of time without resorting to (15)N-labeled molecules. We now report the unsymmetrical indirect covariance processing of (1)H--(13)C GHMBC and (1)H--(15)N IMPEACH spectra to afford a (13)C--(15)N HMBC-IMPEACH spectrum that has the potential to span as many as six to eight bonds. Correlations for carbon resonances long-range coupled to a protonated carbon in the (1)H--(13)C HMBC spectrum are transferred via the long-range (1)H--(15)N coupling pathway in the (1)H--(15)N IMPEACH spectrum to afford a much broader range of correlation possibilities in the (13)C--(15)N HMBC-IMPEACH correlation spectrum. The indole alkaloid vincamine is used as a model compound to illustrate the application of the method. (c) 2007 John Wiley & Sons, Ltd.

Continuous cultivation of photosynthetic microorganisms: Approaches, applications and future trends.

Science.gov (United States)

Fernandes, Bruno D; Mota, Andre; Teixeira, Jose A; Vicente, Antonio A

2015-11-01

The possibility of using photosynthetic microorganisms, such as cyanobacteria and microalgae, for converting light and carbon dioxide into valuable biochemical products has raised the need for new cost-efficient processes ensuring a constant product quality. Food, feed, biofuels, cosmetics and pharmaceutics are among the sectors that can profit from the application of photosynthetic microorganisms. Biomass growth in a photobioreactor is a complex process influenced by multiple parameters, such as photosynthetic light capture and attenuation, nutrient uptake, photobioreactor hydrodynamics and gas-liquid mass transfer. In order to optimize productivity while keeping a standard product quality, a permanent control of the main cultivation parameters is necessary, where the continuous cultivation has shown to be the best option. However it is of utmost importance to recognize the singularity of continuous cultivation of cyanobacteria and microalgae due to their dependence on light availability and intensity. In this sense, this review provides comprehensive information on recent breakthroughs and possible future trends regarding technological and process improvements in continuous cultivation systems of microalgae and cyanobacteria, that will directly affect cost-effectiveness and product quality standardization. An overview of the various applications, techniques and equipment (with special emphasis on photobioreactors) in continuous cultivation of microalgae and cyanobacteria are presented. Additionally, mathematical modeling, feasibility, economics as well as the applicability of continuous cultivation into large-scale operation, are discussed. Copyright © 2015 Elsevier Inc. All rights reserved.

40 CFR 420.60 - Applicability; description of the continuous casting subcategory.

Science.gov (United States)

2010-07-01

... continuous casting subcategory. 420.60 Section 420.60 Protection of Environment ENVIRONMENTAL PROTECTION... Continuous Casting Subcategory § 420.60 Applicability; description of the continuous casting subcategory. The... owned treatment works resulting from the continous casting of molten steel into intermediate or semi...

Real-Time Continuous Response Spectra Exceedance Calculation Displayed in a Web-Browser Enables Rapid and Robust Damage Evaluation by First Responders

Science.gov (United States)

Franke, M.; Skolnik, D. A.; Harvey, D.; Lindquist, K.

2014-12-01

A novel and robust approach is presented that provides near real-time earthquake alarms for critical structures at distributed locations and large facilities using real-time estimation of response spectra obtained from near free-field motions. Influential studies dating back to the 1980s identified spectral response acceleration as a key ground motion characteristic that correlates well with observed damage in structures. Thus, monitoring and reporting on exceedance of spectra-based thresholds are useful tools for assessing the potential for damage to facilities or multi-structure campuses based on input ground motions only. With as little as one strong-motion station per site, this scalable approach can provide rapid alarms on the damage status of remote towns, critical infrastructure (e.g., hospitals, schools) and points of interests (e.g., bridges) for a very large number of locations enabling better rapid decision making during critical and difficult immediate post-earthquake response actions. Details on the novel approach are presented along with an example implementation for a large energy company. Real-time calculation of PSA exceedance and alarm dissemination are enabled with Bighorn, an extension module based on the Antelope software package that combines real-time spectral monitoring and alarm capabilities with a robust built-in web display server. Antelope is an environmental data collection software package from Boulder Real Time Technologies (BRTT) typically used for very large seismic networks and real-time seismic data analyses. The primary processing engine produces continuous time-dependent response spectra for incoming acceleration streams. It utilizes expanded floating-point data representations within object ring-buffer packets and waveform files in a relational database. This leads to a very fast method for computing response spectra for a large number of channels. A Python script evaluates these response spectra for exceedance of one or more

Study of some continuous spectra produced by nuclear reactions with light nuclei; Etude de quelques spectres continus produits par reactions nucleaires avec des noyaux legers

Energy Technology Data Exchange (ETDEWEB)

Marquez, L

1966-07-01

The continuous spectra coming from several nuclear reactions with light nuclei were measured. The spectra can be explained by a two-step reaction mechanism; however, the reactions produced by {sup 6}Li are different. A mechanism was proposed to explain their spectra based on the following assumptions: {sup 6}Li makes a nuclear molecule with the target which subsequently breaks up in such a way that an {alpha} particle comes out with the kinetic energy that it has in the molecule. The calculated spectra and those measured are in good agreement. (author) [French] Nous avons mesure les spectres continus produits dans plusieurs reactions nucleaires avec des noyaux legers. A l'exception des spectres produits par {sup 6}Li, on a trouve qu'on pouvait expliquer ces spectres par le mecanisme des reactions en deux etapes. Nous avons propose un mecanisme pour expliquer les spectres produits par {sup 6}Li. On suppose que {sup 6}Li forme une molecule nucleaire avec la cible qui eclate ensuite de facon telle qu'une particule alpha de la molecule sort avec l'energie cinetique de son mouvement propre dans la molecule. Les spectres calcules avec ces hypotheses et les spectres mesures sont en bon accord. (auteur)

Exciton spectra of mixed LiH1-xDx crystals

International Nuclear Information System (INIS)

Plekhanov, V.G.

1989-01-01

The results of low-tempertaure experimental investigation of exciton spectra of pure surface of mixed crystals LiH 1-x d x forming the continuous series of a solved solution are presented. The long-wave reflection spectra is formed, as in pure crystals, by excitons of a large radius. The developed structure of spectra of exciton luminiscence consisting mainly of LO-lines, testifies to the intraband Frelich mechanism of free exciton scattering by LO-phonos, playing the considerable role in renormalization of the exciton Rydberg and the energy of interband transitions. Increase of the concentration of deuterium in mixed crystals causes a short-wave shift in the reflection spectrum and luminescence and continuous decrease of LO-phonon energy together with the increase of Rydberg exciton

Virtual continuity of measurable functions and its applications

Science.gov (United States)

Vershik, A. M.; Zatitskii, P. B.; Petrov, F. V.

2014-12-01

A classical theorem of Luzin states that a measurable function of one real variable is `almost' continuous. For measurable functions of several variables the analogous statement (continuity on a product of sets having almost full measure) does not hold in general. The search for a correct analogue of Luzin's theorem leads to a notion of virtually continuous functions of several variables. This apparently new notion implicitly appears in the statements of embedding theorems and trace theorems for Sobolev spaces. In fact it reveals the nature of such theorems as statements about virtual continuity. The authors' results imply that under the conditions of Sobolev theorems there is a well-defined integration of a function with respect to a wide class of singular measures, including measures concentrated on submanifolds. The notion of virtual continuity is also used for the classification of measurable functions of several variables and in some questions on dynamical systems, the theory of polymorphisms, and bistochastic measures. In this paper the necessary definitions and properties of admissible metrics are recalled, several definitions of virtual continuity are given, and some applications are discussed. Bibliography: 24 titles.

Predictive modelling of the dielectric response of plasmonic substrates: application to the interpretation of ellipsometric spectra

Science.gov (United States)

Pugliara, A.; Bayle, M.; Bonafos, C.; Carles, R.; Respaud, M.; Makasheva, K.

2018-03-01

A predictive modelling of plasmonic substrates appropriate to read ellipsometric spectra is presented in this work. We focus on plasmonic substrates containing a single layer of silver nanoparticles (AgNPs) embedded in silica matrices. The model uses the Abeles matrix formalism and is based on the quasistatic approximation of the classical Maxwell-Garnett mixing rule, however accounting for the electronic confinement effect through the damping parameter. It is applied on samples elaborated by: (i) RF-diode sputtering followed by Plasma Enhanced Chemical Vapor Deposition (PECVD) and (ii) Low Energy Ion Beam Synthesis (LE-IBS), and represents situations with increasing degree of complexity that can be accounted for by the model. It allows extraction of the main characteristics of the AgNPs population: average size, volume fraction and distance of the AgNPs layer from the matrix free surface. Model validation is achieved through comparison with results obtained from transmission electron microscopy approving for its applicability. The advantages and limitations of the proposed model are discussed after eccentricity-based statistical analysis along with further developments related to the quality of comparison between the model-generated spectra and the experimentally-recorded ellipsometric spectra.

Continuous nonlinear optimization for engineering applications in GAMS technology

CERN Document Server

Andrei, Neculai

2017-01-01

This book presents the theoretical details and computational performances of algorithms used for solving continuous nonlinear optimization applications imbedded in GAMS. Aimed toward scientists and graduate students who utilize optimization methods to model and solve problems in mathematical programming, operations research, business, engineering, and industry, this book enables readers with a background in nonlinear optimization and linear algebra to use GAMS technology to understand and utilize its important capabilities to optimize algorithms for modeling and solving complex, large-scale, continuous nonlinear optimization problems or applications. Beginning with an overview of constrained nonlinear optimization methods, this book moves on to illustrate key aspects of mathematical modeling through modeling technologies based on algebraically oriented modeling languages. Next, the main feature of GAMS, an algebraically oriented language that allows for high-level algebraic representation of mathematical opti...

Raman Spectra from Pesticides on the Surface of Fruits

International Nuclear Information System (INIS)

Zhang, P X; Zhou Xiaofang; Cheng, Andrew Y S; Fang Yan

2006-01-01

Raman spectra of several vegetables and fruits were studied by micro-Raman spectrometer (514.5 nm) and Near-infrared Fourier Transform Raman spectrometer (FTRaman). It is shown that at 514.5 nm excitation, most of the spectra are from that of carotene with some very strong fluorescence in some cases. While at 1064 nm wavelength excitation, the spectra from the different samples demonstrate different characteristic Raman spectra without fluorescence. We discuss the spectroscopic difference by the two excitation wavelengths, and the application of Raman spectra for detection of pesticides left on the surface of vegetables and fruits. Raman spectra of fruits and pesticides were successfully recorded, and using the FT-Raman spectra the pesticides left on the surface of the fruits can be detected conveniently

Eigenvalue-dependent neutron energy spectra: Definitions, analyses, and applications

International Nuclear Information System (INIS)

Cacuci, D.G.; Ronen, Y.; Shayer, Z.; Wagschal, J.J.; Yeivin, Y.

1982-01-01

A general qualitative analysis of spectral effects that arise from solving the kappa-, α-, γ-, and sigma-eigenvalue formulations of the neutron transport equation for nuclear systems that deviate (to first order) from criticality is presented. Hierarchies of neutron spectra softness are established and expressed concisely in terms of the newly introduced spatialdependent local spectral indices for the core and for the reflector. It is shown that each hierarchy is preserved, regardless of the nature of the specific physical mechanism that cause the system to deviate from criticality. Qualitative conclusions regarding the general behavior of the spectrum-dependent integral spectral indices and ICRs corresponding to the kappa-, α-, γ-, and sigma-eigenvalue formalisms are also presented. By defining spectral indices separately for the core and for the reflector, it is possible to account for the characteristics of neutron spectra in both the core and the reflector. The distinctions between the spectra in the core and in the reflector could not have been accounted for by using a single type of spectral index (e.g., a spectral index for the entire system or a spectral index solely for the core)

Targeted Modification of Neutron Energy Spectra for National Security Applications

Science.gov (United States)

Bevins, James Edward

several well-established metaheuristic algorithms are made for a set of continuous, mixed-integer, and combinatorial benchmarks. These results demonstrated Gnoweee to have superior flexibility and convergence characteristics over a wide range of design spaces. The Gnowee algorithm was implemented in Coeus, a new piece of software, to perform optimization of design problems requiring radiation transport for the evaluation of their objective functions. Currently, Coeus solves ETA optimization problems using hybrid radiation transport (ADVANTG and MCNP) to assess design permutations developed by Gnowee. Future enhancements of Coeus will look to expand the geometries and objective functions considered to those beyond ETA design. Coeus was used to generate an ETA design for the TN+PFNS application on NIF. The design achieved a reasonable match with the objective TN+PFNS and associated fission product distributions within the size and weight constraints imposed by the NIF facility. The ETA design was built by American Elements, and initial validation tests were conducted at the Lawrence Berkeley National Laboratory's 88-Inch Cyclotron. These experiments used foil activation and pulse height spectroscopy to measure the ETA-modified spectrum. Additionally, pulse height spectroscopy measurements were taken as the ETA was built-up component-by-component to measure the impact of nuclear data on the ability to model the ETA performance. Some initial analysis of these results is included here. Finally, an integral validation experiment on NIF was proposed using the Coeus generated ETA design. A scoping study conducted by LLNL determined the proposed experiment and ETA design are within NIF facility limitations and current radio-chemistry capabilities. The study found that the proposed ETA experiment was "low risk," has "no show stoppers," and has a "reasonable cost." All that is needed is a sponsor to close the last funding gap and bring the experiment to fruition. This research broke

Application of simulated standard spectra in natural radioactivity measurements using gamma spectrometry

International Nuclear Information System (INIS)

Narayani, K.; Pant, A.D.; Bhosle, Nitin; Anilkumar, S.; Singh, Rajvir; Pradeepkumar, K.S.

2014-01-01

Gamma ray spectrometry is one of the well known analytical techniques for environmental radioactivity measurements. Gamma spectrometer based on NaI(Tl) scintillation detectors is very popular since it offers high efficiency, low cost and case in handling. The poor energy resolution of the NaI(TI) detector is the major disadvantage making tile analysis of complex gamma ray spectra difficult. Least square method or the full spectrum analysis method is widely used for the analysis of complex spectra from scintillation detectors. The main requirement of this method is that the individual standard spectra of all nuclides expected in the complex spectrum in the same measurement geometry must be available. It is not always possible and feasible to have all the standards of nuclides in the desired geometry. A methodology based on the use of simulated standard spectra generated by Monte Carlo technique was proposed for analysis of complex spectra of nuclides. In the present work, for the analysis of 238 U, 233 Th and 40 K in soil samples, the same methodology was applied by using the simulated standard spectra in soil matrix. The details of the simulation method and results analysis of 238 U, 232 Th and 40 K in environmental samples are discussed in this paper

The covariance matrix of neutron spectra used in the REAL 84 exercise

International Nuclear Information System (INIS)

Matzke, M.

1986-08-01

Covariance matrices of continuous functions are discussed. It is pointed out that the number of non-vanishing eigenvalues corresponds to the number of random variables (parameters) involved in the construction of the continuous functions. The covariance matrices used in the REAL 84 international intercomparison of unfolding methods of neutron spectra are investigated. It is shown that a small rank of these covariance matrices leads to a restriction of the possible solution spectra. (orig.) [de

Time series analysis of continuous-wave coherent Doppler Lidar wind measurements

DEFF Research Database (Denmark)

Sjöholm, Mikael; Mikkelsen, Torben; Mann, Jakob

2008-01-01

The influence of spatial volume averaging of a focused 1.55 mu m continuous-wave coherent Doppler Lidar on observed wind turbulence measured in the atmospheric surface layer over homogeneous terrain is described and analysed. Comparison of Lidar-measured turbulent spectra with spectra simultaneou......The influence of spatial volume averaging of a focused 1.55 mu m continuous-wave coherent Doppler Lidar on observed wind turbulence measured in the atmospheric surface layer over homogeneous terrain is described and analysed. Comparison of Lidar-measured turbulent spectra with spectra...

Wigner higher-order spectra: definition, properties, computation and application to transient signal analysis

OpenAIRE

Rodríguez Fonollosa, Javier; Nikias, Chrysostomos L.

1993-01-01

The Wigner higher order moment spectra (WHOS) are defined as extensions of the Wigner-Ville distribution (WD) to higher order moment spectra domains. A general class of time-frequency higher order moment spectra is also defined in terms of arbitrary higher order moments of the signal as generalizations of the Cohen’s general class of time-frequency representations. The properties of the general class of time-frequency higher order moment spectra can be related to the properties...

Sequencing BPS spectra

Energy Technology Data Exchange (ETDEWEB)

Gukov, Sergei [Walter Burke Institute for Theoretical Physics, California Institute of Technology,1200 E California Blvd, Pasadena, CA 91125 (United States); Max-Planck-Institut für Mathematik,Vivatsgasse 7, D-53111 Bonn (Germany); Nawata, Satoshi [Walter Burke Institute for Theoretical Physics, California Institute of Technology,1200 E California Blvd, Pasadena, CA 91125 (United States); Centre for Quantum Geometry of Moduli Spaces, University of Aarhus,Nordre Ringgade 1, DK-8000 (Denmark); Saberi, Ingmar [Walter Burke Institute for Theoretical Physics, California Institute of Technology,1200 E California Blvd, Pasadena, CA 91125 (United States); Stošić, Marko [CAMGSD, Departamento de Matemática, Instituto Superior Técnico,Av. Rovisco Pais, 1049-001 Lisbon (Portugal); Mathematical Institute SANU,Knez Mihajlova 36, 11000 Belgrade (Serbia); Sułkowski, Piotr [Walter Burke Institute for Theoretical Physics, California Institute of Technology,1200 E California Blvd, Pasadena, CA 91125 (United States); Faculty of Physics, University of Warsaw,ul. Pasteura 5, 02-093 Warsaw (Poland)

2016-03-02

This paper provides both a detailed study of color-dependence of link homologies, as realized in physics as certain spaces of BPS states, and a broad study of the behavior of BPS states in general. We consider how the spectrum of BPS states varies as continuous parameters of a theory are perturbed. This question can be posed in a wide variety of physical contexts, and we answer it by proposing that the relationship between unperturbed and perturbed BPS spectra is described by a spectral sequence. These general considerations unify previous applications of spectral sequence techniques to physics, and explain from a physical standpoint the appearance of many spectral sequences relating various link homology theories to one another. We also study structural properties of colored HOMFLY homology for links and evaluate Poincaré polynomials in numerous examples. Among these structural properties is a novel “sliding” property, which can be explained by using (refined) modular S-matrix. This leads to the identification of modular transformations in Chern-Simons theory and 3d N=2 theory via the 3d/3d correspondence. Lastly, we introduce the notion of associated varieties as classical limits of recursion relations of colored superpolynomials of links, and study their properties.

Sequencing BPS spectra

International Nuclear Information System (INIS)

Gukov, Sergei; Nawata, Satoshi; Saberi, Ingmar; Stošić, Marko; Sułkowski, Piotr

2016-01-01

This paper provides both a detailed study of color-dependence of link homologies, as realized in physics as certain spaces of BPS states, and a broad study of the behavior of BPS states in general. We consider how the spectrum of BPS states varies as continuous parameters of a theory are perturbed. This question can be posed in a wide variety of physical contexts, and we answer it by proposing that the relationship between unperturbed and perturbed BPS spectra is described by a spectral sequence. These general considerations unify previous applications of spectral sequence techniques to physics, and explain from a physical standpoint the appearance of many spectral sequences relating various link homology theories to one another. We also study structural properties of colored HOMFLY homology for links and evaluate Poincaré polynomials in numerous examples. Among these structural properties is a novel “sliding” property, which can be explained by using (refined) modular S-matrix. This leads to the identification of modular transformations in Chern-Simons theory and 3d N=2 theory via the 3d/3d correspondence. Lastly, we introduce the notion of associated varieties as classical limits of recursion relations of colored superpolynomials of links, and study their properties.

Analytical applications of the 12C(d,p) reaction. Treatment of experimental spectra

International Nuclear Information System (INIS)

Engerran, J.-A.

1975-01-01

The nuclear (d,p) reaction induced on carbon and oxygen at medium energies (1 to 4MeV) has been used for the determination of very small quantities (less than a monolayer) as well as of the in-depth distribution. With respect to the first feature of this reaction, chemisorption study has been undertaken for the mixture CO/O 2 at the surface of a polycristalline sample of platinum. An adapted irradiation detection set-up is described. Obtaining the in-depth distribution leads to the more general case of treatment of experimental spectra. Owing to the results given by the classical methods of deconvolution or convolution, a joint procedure was chosen for our application. A trial function is determined by a convolutionprocess, to be used as initial function in an iterative method. Convergence is then easily achieved avoiding Gibbs phenomena. As a main application, carbon profile determination is obtained for a boron matrix [fr

Synthesis and Fluorescence Spectra of Triazolylcoumarin Fluorescent Dyes

Institute of Scientific and Technical Information of China (English)

PENG Xian-fu; LI Hong-qi

2009-01-01

Much attention is devoted to fluorescent dyes especially those with potential in versatile applications. Reactions under "click" conditions between nonfluorescent 3 - azidocoumarins and terminal alkynes produced 3 -(1, 2, 3- triazol- 1 - yl)cournarins, a novel type of fluorescent dyes with intense fluorescence. The structures of the new coumarins were characterized by 1H NMR, MS, and IR spectra. Fluorescence spectra measurement demonstrated excellent fluorescence performance of the triazolylcoumarins and this click reaction is a promising candidate for bioconjugation and bioimaging applications since both azide and alkynes are quite inert to biological systems.

All-optoelectronic continuous wave THz imaging for biomedical applications

International Nuclear Information System (INIS)

Siebert, Karsten J; Loeffler, Torsten; Quast, Holger; Thomson, Mark; Bauer, Tobias; Leonhardt, Rainer; Czasch, Stephanie; Roskos, Hartmut G

2002-01-01

We present an all-optoelectronic THz imaging system for ex vivo biomedical applications based on photomixing of two continuous-wave laser beams using photoconductive antennas. The application of hyperboloidal lenses is discussed. They allow for f-numbers less than 1/2 permitting better focusing and higher spatial resolution compared to off-axis paraboloidal mirrors whose f-numbers for practical reasons must be larger than 1/2. For a specific histological sample, an analysis of image noise is discussed

Implementation of pesticide applicator certification schools and continuing education workshops : final report.

Science.gov (United States)

2014-12-11

The Oklahoma Department of Transportations (ODOT) herbicide applicator training program consists of initial pesticide applicator training schools followed by independent Certification testing and then on-going yearly continuing education workshops...

Statistical studies of vertical and horizontal earthquake spectra

Energy Technology Data Exchange (ETDEWEB)

Hall, W.J.; Mohraz, B.; Newmark, N.M.

1976-01-01

The study reveals that there is no well-defined dependence of normalized seismic design response spectra on the earthquake ground acceleration level. Recommendations for horizontal design response spectra are close to those given in Regulatory Guide 1.60. Recommendations for vertical response spectra are somewhat lower than Regulatory Guide 1.60 provisions in the frequency range 2 to 30 Hz aproximately. The results are based on seismic information recorded along the west coast of the United States and are directly applicable to that region only.

Decomposition of spectra in EPR dosimetry using the matrix method

International Nuclear Information System (INIS)

Sholom, S.V.; Chumak, V.V.

2003-01-01

The matrix method of EPR spectra decomposition is developed and adapted for routine application in retrospective EPR dosimetry with teeth. According to this method, the initial EPR spectra are decomposed (using methods of matrix algebra) into several reference components (reference matrices) that are specific for each material. Proposed procedure has been tested on the example of tooth enamel. Reference spectra were a spectrum of an empty sample tube and three standard signals of enamel (two at g=2.0045, both for the native signal and one at g perpendicular =2.0018, g parallel =1.9973 for the dosimetric signal). Values of dosimetric signals obtained using the given method have been compared with data obtained by manual manipulation of spectra, and good coincidence was observed. This allows considering the proposed method as potent for application in routine EPR dosimetry

Envelope method for background elimination from X-ray fluorescence spectra

International Nuclear Information System (INIS)

Monakhov, V.V.; Naumenko, P.A.; Chashinskaya, O.A.

2006-01-01

The influence of the background noise caused by Bremsstrahlung on the accuracy of the envelope method at x-ray fluorescence spectra processing is studied. This is carried out by the example of model spectra at different forms of Bremsstrahlung noise as well as at the presence of background noise in spectra. The interpolation by parabolic splines is used for the estimation of the error of the envelope method for the elimination of continuos background noise. It is found out that the error of the proposed method constitutes decimal parts of percent. It is shown that the envelope method is the effective technique for the elimination of the continuous Bremsstrahlung from x-ray fluorescence spectra of the first order [ru

Pattern recognition in spectra

International Nuclear Information System (INIS)

Gebran, M; Paletou, F

2017-01-01

We present a new automated procedure that simultaneously derives the effective temperature T eff , surface gravity log g , metallicity [ Fe/H ], and equatorial projected rotational velocity v e sin i for stars. The procedure is inspired by the well-known PCA-based inversion of spectropolarimetric full-Stokes solar data, which was used both for Zeeman and Hanle effects. The efficiency and accuracy of this procedure have been proven for FGK, A, and late type dwarf stars of K and M spectral types. Learning databases are generated from the Elodie stellar spectra library using observed spectra for which fundamental parameters were already evaluated or with synthetic data. The synthetic spectra are calculated using ATLAS9 model atmospheres. This technique helped us to detect many peculiar stars such as Am, Ap, HgMn, SiEuCr and binaries. This fast and efficient technique could be used every time a pattern recognition is needed. One important application is the understanding of the physical properties of planetary surfaces by comparing aboard instrument data to synthetic ones. (paper)

Pesticide Applicator Profiling: Using Polycom[R] Distance Delivery for Continuing Education and Characterizing Florida's Licensed Applicators

Science.gov (United States)

Fishel, Fred; Langeland, Ken

2011-01-01

The University of Florida offers continuing education units (CEUs) via distance technology using Polycom[R] to meet requirements for applicators of pesticides to renew their licenses. A large statewide event conducted in 2010 also included a needs assessment of this group concerning CEUs. Results indicate that these applicators strongly prefer…

Smart Brix—a continuous evolution framework for container application deployments

Directory of Open Access Journals (Sweden)

Johannes M. Schleicher

2016-06-01

Full Text Available Container-based application deployments have received significant attention in recent years. Operating system virtualization based on containers as a mechanism to deploy and manage complex, large-scale software systems has become a popular mechanism for application deployment and operation. Packaging application components into self-contained artifacts has brought substantial flexibility to developers and operation teams alike. However, this flexibility comes at a price. Practitioners need to respect numerous constraints ranging from security and compliance requirements, to specific regulatory conditions. Fulfilling these requirements is especially challenging in specialized domains with large numbers of stakeholders. Moreover, the rapidly growing number of container images to be managed due to the introduction of new or updated applications and respective components, leads to significant challenges for container management and adaptation. In this paper, we introduce Smart Brix, a framework for continuous evolution of container application deployments that tackles these challenges. Smart Brix integrates and unifies concepts of continuous integration, runtime monitoring, and operational analytics. Furthermore, it allows practitioners to define generic analytics and compensation pipelines composed of self-assembling processing components to autonomously validate and verify containers to be deployed. We illustrate the feasibility of our approach by evaluating our framework using a case study from the smart city domain. We show that Smart Brix is horizontally scalable and runtime of the implemented analysis and compensation pipelines scales linearly with the number of container application packages.

Nuclear Neutrino Spectra in Late Stellar Evolution

Science.gov (United States)

Misch, G. Wendell; Sun, Yang; Fuller, George

2018-05-01

Neutrinos are the principle carriers of energy in massive stars, beginning from core carbon burning and continuing through core collapse and after the core bounce. In fact, it may be possible to detect neutrinos from nearby pre-supernova stars. Therefore, it is of great interest to understand the neutrino energy spectra from these stars. Leading up to core collapse, beginning around core silicon burning, nuclei become dominant producers of neutrinos, particularly at high neutrino energy, so a systematic study of nuclear neutrino spectra is desirable. We have done such a study, and we present our sd-shell model calculations of nuclear neutrino energy spectra for nuclei in the mass number range A = 21 - 35. Our study includes neutrinos produced by charged lepton capture, charged lepton emission, and neutral current nuclear deexcitation. Previous authors have tabulated the rates of charged current nuclear weak interactions in astrophysical conditions, but the present work expands on this not only by providing neutrino energy spectra, but also by including the heretofore untabulated neutral current de-excitation neutrino pairs.

Photoinduced Effects in the ZnO Luminescence Spectra

Science.gov (United States)

Akopyan, I. Kh.; Labzovskaya, M. E.; Novikov, B. V.; Lisachenko, A. A.; Serov, A. Yu.; Filosofov, N. G.

2018-02-01

The effect of intense UV irradiation on the photoluminescence (PL) spectra of ZnO powders and nanocrystalline films obtained by atomic layer deposition (ALD) was investigated. At room temperature, the behavior of the spectra under continuous UV irradiation in multiple vacuum-atmosphere cycles was studied. The changes in the intensities of exciton radiation and radiation in the "green" band region, associated with the phenomena of oxygen photodesorption and photoadsorption, are discussed. In the temperature range of 5-300 K, the effect of strong UV irradiation on the near-edge luminescence spectrum of ZnO films was studied. The nature of a new line arising in the photoluminescence spectra of an irradiated film in the region of emission of bound excitons is discussed.

The spectra of type IIB flux compactifications at large complex structure

International Nuclear Information System (INIS)

Brodie, Callum; Marsh, M.C. David

2016-01-01

We compute the spectra of the Hessian matrix, H, and the matrix M that governs the critical point equation of the low-energy effective supergravity, as a function of the complex structure and axio-dilaton moduli space in type IIB flux compactifications at large complex structure. We find both spectra analytically in an h − 1,2 +3 real-dimensional subspace of the moduli space, and show that they exhibit a universal structure with highly degenerate eigenvalues, independently of the choice of flux, the details of the compactification geometry, and the number of complex structure moduli. In this subspace, the spectrum of the Hessian matrix contains no tachyons, but there are also no critical points. We show numerically that the spectra of H and M remain highly peaked over a large fraction of the sampled moduli space of explicit Calabi-Yau compactifications with 2 to 5 complex structure moduli. In these models, the scale of the supersymmetric contribution to the scalar masses is strongly linearly correlated with the value of the superpotential over almost the entire moduli space, with particularly strong correlations arising for g s <1. We contrast these results with the expectations from the much-used continuous flux approximation, and comment on the applicability of Random Matrix Theory to the statistical modelling of the string theory landscape.

An MS-DOS-based program for analyzing plutonium gamma-ray spectra

International Nuclear Information System (INIS)

Ruhter, W.D.; Buckley, W.M.

1989-01-01

A plutonium gamma-ray analysis system that operates on MS-DOS-based computers has been developed for the International Atomic Energy Agency (IAEA) to perform in-field analysis of plutonium gamma-ray spectra for plutonium isotopics. The program titled IAEAPU consists of three separate applications: a data-transfer application for transferring spectral data from a CICERO multichannel analyzer to a binary data file, a data-analysis application to analyze plutonium gamma-ray spectra, for plutonium isotopic ratios and weight percents of total plutonium, and a data-quality assurance application to check spectral data for proper data-acquisition setup and performance. Volume 3 contains the software listings for these applications

Geal: A general program for the analysis of alpha spectra

International Nuclear Information System (INIS)

Garcia-Torano, E.; Acena Barrenechea, M.L.

1978-01-01

A computing program for analysis and representation of alpha spectra obtained with surface barrier detectors is described. Several methods for fitting spectra are studied. A monoenergetic line or a doublet previously fitted has been used as a standard for the analyses of all kind of spectra. Some examples of application as well as a list of the program are shown. The program has been written in Fortran V language. (author)

Revealing low-energy part of the beta spectra

International Nuclear Information System (INIS)

Selvi, S.; Celiktas, C.

2002-01-01

An effective method is proposed to separate electronic noise from the beta-particle spectra revealing lower energy part of the spectra. The available methods for reducing the noise problem cut the noise along with the low-energy part of the beta spectra by using a discriminator. Our setup eliminates this undesirable effect by shifting the noise toward the lowest energy scale leaving the low-energy part of spectra undisturbed. We achieved this noise-pulse-separation by treating the noise as a pulse so that we can exploit the application of the pulse-shape analyzer equipment used for pulse shape identification of particles and rejection of defective pulses. To the best of our knowledge this method of the noise separation is a novel approach

Application of normalized spectra in resolving a challenging Orphenadrine and Paracetamol binary mixture

Science.gov (United States)

Yehia, Ali M.; Abd El-Rahman, Mohamed K.

2015-03-01

Normalized spectra have a great power in resolving spectral overlap of challenging Orphenadrine (ORP) and Paracetamol (PAR) binary mixture, four smart techniques utilizing the normalized spectra were used in this work, namely, amplitude modulation (AM), simultaneous area ratio subtraction (SARS), simultaneous derivative spectrophotometry (S1DD) and ratio H-point standard addition method (RHPSAM). In AM, peak amplitude at 221.6 nm of the division spectra was measured for both ORP and PAR determination, while in SARS, concentration of ORP was determined using the area under the curve from 215 nm to 222 nm of the regenerated ORP zero order absorption spectra, in S1DD, concentration of ORP was determined using the peak amplitude at 224 nm of the first derivative ratio spectra. PAR concentration was determined directly at 288 nm in the division spectra obtained during the manipulation steps in the previous three methods. The last RHPSAM is a dual wavelength method in which two calibrations were plotted at 216 nm and 226 nm. RH point is the intersection of the two calibration lines, where ORP and PAR concentrations were directly determined from coordinates of RH point. The proposed methods were applied successfully for the determination of ORP and PAR in their dosage form.

78 FR 35658 - Spectra Energy Corp., Application for a New or Amended Presidential Permit

Science.gov (United States)

2013-06-13

... Express into a limited liability corporation, Express Holdings (USA), LLC. Spectra plans to assign 40% of...-traded master limited partnership. Spectra Energy has control over Spectra Energy Partners, LP; it indirectly owns 58% of the ownership interests in the limited partnership and also indirectly owns 100% of...

Beta spectra. II-Positron spectra

International Nuclear Information System (INIS)

Grau, A.; Garcia-Torano, E.

1981-01-01

Using the Fermi theory of beta decay, the beta spectra for 30 positron emitters have been computed, introducing a correction factor for unique forbidden transitions. The spectra are ploted vs. energy, once normalised, and tabulated with the related Fermi functions. The average and median energies are calculated. (author)

APPLICATION OF BUSINESS CONTINUITY MANAGEMENT SYSTEM INTO THE CRISIS MANAGEMENT FIELD

Directory of Open Access Journals (Sweden)

Hana MALACHOVÁ

2016-12-01

Full Text Available Establishing business continuity management (BCM creates the basis of every organization’s strategy. BCM includes complex procedures that help solving unexpected situations of natural and anthropogenic nature (e.g. fire or flood. Planning of the BCM is a process that helps organizations identify critical processes and implement plans for securing and restoring key processes. The aim of this paper is to demonstrate the application of a systemic approach to BCM known as Business Continuity Management System (BCMS into the military field. This article describes the life cycle of the BCMS, which is based on PDCA cycle. Subsequently it is applied to the activities carried out by the University of Defence during activation of forces and means in the frame of the Integrated Rescue System (IRS in case of emergency – an accident in a nuclear power plant in the Czech Republic. Activities in various stages of deployment of allocated forces and means are managed and evaluated using the Military Continuity Management System (MCMS application.

BETA SPECTRA. I. Negatrons spectra

International Nuclear Information System (INIS)

Grau Malonda, A.; Garcia-Torano, E.

1978-01-01

Using the Fermi theory of beta decay, the beta spectra for 62 negatrons emitters have been computed introducing a correction factor for unique forbidden transitions. These spectra are plotted vs. energy, once normal i sed, and tabulated with the related Fermi functions. The average and median energies are calculated. (Author)

Studies on pigments of the myxomycete Physarum nudum. I. Absorption spectra of the crude extracts of pigments from plasmodia cultured in continuous light and in darkness

Directory of Open Access Journals (Sweden)

L. Rakoczy

2015-01-01

Full Text Available 1. Method for extraction and crude separation of the plasmodial pigments of the myxomycete Physarum nudum cultured in light and in darkness were elaborated. 2.\tBy the use of various solvents in the procedure of extraction three pigment fractions were obtained from plasmodia cultured in the dark and four fractions from those grown under continuous light. 3. The absorption spectra of the particular fractions within the UV and visible range were determined.

Application of Principal Component Analysis in Prompt Gamma Spectra for Material Sorting

Energy Technology Data Exchange (ETDEWEB)

Im, Hee Jung; Lee, Yun Hee; Song, Byoung Chul; Park, Yong Joon; Kim, Won Ho

2006-11-15

For the detection of illicit materials in a very short time by comparing unknown samples' gamma spectra to pre-programmed material signatures, we at first, selected a method to reduce the noise of the obtained gamma spectra. After a noise reduction, a pattern recognition technique was applied to discriminate the illicit materials from the innocuous materials in the noise reduced data. Principal component analysis was applied for a noise reduction and pattern recognition in prompt gamma spectra. A computer program for the detection of illicit materials based on PCA method was developed in our lab and can be applied to the PGNAA system for the baggage checking at all ports of entry at a very short time.

Seismic design spectra for nuclear power plants, state-of-the-art

International Nuclear Information System (INIS)

Michalopoulos, A.P.; Shukla, D.K.

1976-01-01

The State-of-the-Art of nuclear power plant design involves the use of design response spectra together with a modal analysis of a mathematical idealization of the actual structure. The design response spectra give the maximum response to ground shaking for a family of single degree-of-freedom viscously damped oscillators. These spectra are usually described as an accelerogram giving ground acceleration as a function of time. The definition of a 'standard' design response spectra is reviewed and illustrated by data relevant to 'hard' or rock sites. Finally, the paper recommends a set of design response spectra applicable to rock sites

Continuous-tone applications in digital hard-copy output devices

Science.gov (United States)

Saunders, Jeffrey C.

1990-11-01

Dye diffusion technology has made a recent entry into the hardcopy printer arena making it now possible to achieve near-photographic quality images from digital raster image data. Whereas the majority of low cost printers utilizing ink-jet, thermal wax, or dotmatrix technologies advertise high resolution printheads, the restrictions which dithering algorithms apply to these inherently binary printing systems force them to sacrifice spatial resolution capability for tone scale reproduction. Dye diffusion technology allows a fully continuous range of density at each pixel location thus preserving the full spatial resolution capability of the printhead; spatial resolution is not sacrificed for tone scale. This results in images whose quality is far superior to the ink-jet or wax-transfer products; image quality so high in fact, to the unaided eye, dye diffusion images are indistinguishable from their silver-halide counterparts. Eastman Kodak Co. offers a highly refined application of dye diffusion technology in the Kodak XL 7700 Digital Continuous Tone Printer and Kodak EKTATHERM media products. The XL . 7700 Printer represents a serious alternative to expensive laser-based film recorders for applications which require high quality image output from digital data files. This paper presents an explanation of dye diffusion printing, what distinguishes it from other technologies, sensitometric control and image quality parameters, and applications within the industry, particularly that of Airborne Reconnaissance and Remote Sensing.

An MS-DOS-based program for analyzing plutonium gamma-ray spectra

International Nuclear Information System (INIS)

Ruhter, W.D.; Buckley, W.M.

1989-01-01

A plutonium gamma-ray analysis system that operates on MS-DOS-based computers has been developed for the International Atomic Energy Agency (IAEA) to perform in-field analysis of plutonium gamma-ray spectra for plutonium isotopics. The program titled IAEAPU consists of three separate applications: (1) a data-transfer application for transferring spectral data from a CICERO multichannel analyzer to a binary data file, (2) a data-analysis application to analyze plutonium gamma-ray spectra for plutonium isotopic ratios and weight percents of total plutonium, (3) and a data-quality assurance application to check spectral data for proper data-acquisition setup and performance. Volume 2 describes the operations of these applications and the installation and maintenance of the software

X-ray absorption spectra and emission spectra of plasmas

International Nuclear Information System (INIS)

Peng Yonglun; Yang Li; Wang Minsheng; Li Jiaming

2002-01-01

The author reports a theoretical method to calculate the resolved absorption spectra and emission spectra (optically thin) of hot dense plasmas. Due to its fully relativistic treatment incorporated with the quantum defect theory, it calculates the absorption spectra and emission spectra for single element or multi-element plasmas with little computational efforts. The calculated absorption spectra of LTE gold plasmas agree well with the experimental ones. It also calculates the optical thin emission spectra of LTE gold plasmas, which is helpful to diagnose the plasmas of relevant ICF plasmas. It can also provide the relevant parameters such as population density of various ionic stages, precise radiative properties for ICF studies

Flare stars of the Orion Nebula - spectra of an outburst

International Nuclear Information System (INIS)

Carter, B.D.; O'Mara, B.J.; Ross, J.E.

1988-01-01

For the first time, detailed, time-resolved spectra of a flare event of an Orion cluster flare star are presented. These spectra, covering ∼ λλ3600-4600, were obtained by using the Anglo-Australian Telescope with a fibre coupler to simultaneously monitor 23 flare stars in the region of the Orion Nebula. The flare spectra reveal continuous emission which filled in the photospheric Ca I 4226 A absorption, and hydrogen Balmer, Ca II H and K, He I 4026 A and He I 4471 A line emission. Overall, the spectral behaviour indicates similarities to strong outbursts of the classical dMe flare stars. (author)

Adjusted neutron spectra of STEK cores for reactivity calculations

International Nuclear Information System (INIS)

Dekker, J.W.M.; Dragt, J.B.; Janssen, A.J.; Heijboer, R.J.; Klippel, H.Th.

1978-02-01

Neutron flux and adjoint flux spectra form a pre-requisite in the analysis of reactivity worth data measured in the STEK facility. First, a survey of all available information about these spectra is given. Next a special application of a general adjustment method is described. This method has been used to obtain adjusted STEK group flux and adjoint flux spectra, starting from calculated spectra. These theoretical spectra were adjusted to reactivity worths of natural boron (nat. B) and 235 U as well as a number of fission reaction rates. As a by-product in this adjustment calculation adjusted fission group cross sections of 235 U were obtained. The results, viz. group fluxes and adjoint fluxes and adjusted fission cross sections of 235 U are given. They have been used for the interpretation of fission product reactivity worth measurements made in STEK

Continuous EEG signal analysis for asynchronous BCI application.

Science.gov (United States)

Hsu, Wei-Yen

2011-08-01

In this study, we propose a two-stage recognition system for continuous analysis of electroencephalogram (EEG) signals. An independent component analysis (ICA) and correlation coefficient are used to automatically eliminate the electrooculography (EOG) artifacts. Based on the continuous wavelet transform (CWT) and Student's two-sample t-statistics, active segment selection then detects the location of active segment in the time-frequency domain. Next, multiresolution fractal feature vectors (MFFVs) are extracted with the proposed modified fractal dimension from wavelet data. Finally, the support vector machine (SVM) is adopted for the robust classification of MFFVs. The EEG signals are continuously analyzed in 1-s segments, and every 0.5 second moves forward to simulate asynchronous BCI works in the two-stage recognition architecture. The segment is first recognized as lifted or not in the first stage, and then is classified as left or right finger lifting at stage two if the segment is recognized as lifting in the first stage. Several statistical analyses are used to evaluate the performance of the proposed system. The results indicate that it is a promising system in the applications of asynchronous BCI work.

Skyshine spectra of gamma rays

International Nuclear Information System (INIS)

Swarup, Janardan

1980-01-01

A study of the spectra of gamma photons back-scattered in vertical direction by infinite air above ground (skyshine) is presented. The source for these measurements is a 650 Ci Cobalt-60 point-source and the skyshine spectra are reported for distances from 150 m to 325 m from the source, measured with a 5 cm x 5 cm NaI(Tl) detector collimated with collimators of 12 mm and 20 mm diameter and 5 cm length. These continuous spectra are unfolded with Gold's iterative technique. The photon-spectra so obtained have a distinct line at 72 keV due to multiply-scattered photons. This is an energy where photoelectric and Compton cross-sections for multiply-scattered photons balance each other. The intensity of the line(I) decreases exponentially with distance (d) from the source obeying a relation of the type I = Isub(o)esup(-μd) where μ is called as ''Multiply-Scatter Coefficient'', a constant of the medium which is air in these measurements. This relationship is explained in terms of a halo around the source comprising of multiply-scattered gamma photons, Isub(0) being the intensity of these scattered photons at the location of cobalt-source. A fraction called as ''Back-scattered Fraction'', the ratio of Isub(0) to the number of original photons from the cobalt-source entering the infinite air, is also calculated. It is shown that with a properly calibrated detector system, this fraction can be used to determine the strength of a large gamma source, viz. a nuclear explosion in air, and for mineral prospecting. These conclusions are general and can be applied to any other infinite medium. Some forward-scatter (transmission) spectra of cobalt-60 source through 10 cm of Pb and 2.5 cm of Al are also reported. (auth.)

Multiple applications of the Boussignac continuous positive airway pressure system

NARCIS (Netherlands)

Dieperink, Willem

2008-01-01

Continuous positive airway pressure, (CPAP) is a form of treatment to support patients with dyspnea. For the application of CPAP a mechanical ventilator or complex CPAP apparatus is mostly used. The Boussignac CPAP (BCPAP) system developed by George Boussignac does not need such apparatus. The BCPAP

QUALITATIVE INTERPRETATION OF GALAXY SPECTRA

Energy Technology Data Exchange (ETDEWEB)

Sanchez Almeida, J.; Morales-Luis, A. B. [Instituto de Astrofisica de Canarias, E-38205 La Laguna, Tenerife (Spain); Terlevich, R.; Terlevich, E. [Instituto Nacional de Astrofisica, Optica y Electronica, Tonantzintla, Puebla (Mexico); Cid Fernandes, R., E-mail: jos@iac.es, E-mail: abml@iac.es, E-mail: rjt@ast.cam.ac.uk, E-mail: eterlevi@inaoep.mx, E-mail: cid@astro.ufsc.br [Departamento de Fisica-CFM, Universidade Federal de Santa Catarina, P.O. Box 476, 88040-900 Florianopolis, SC (Brazil)

2012-09-10

We describe a simple step-by-step guide to qualitative interpretation of galaxy spectra. Rather than an alternative to existing automated tools, it is put forward as an instrument for quick-look analysis and for gaining physical insight when interpreting the outputs provided by automated tools. Though the recipe is for general application, it was developed for understanding the nature of the Automatic Spectroscopic K-means-based (ASK) template spectra. They resulted from the classification of all the galaxy spectra in the Sloan Digital Sky Survey data release 7, thus being a comprehensive representation of the galaxy spectra in the local universe. Using the recipe, we give a description of the properties of the gas and the stars that characterize the ASK classes, from those corresponding to passively evolving galaxies, to H II galaxies undergoing a galaxy-wide starburst. The qualitative analysis is found to be in excellent agreement with quantitative analyses of the same spectra. We compare the mean ages of the stellar populations with those inferred using the code STARLIGHT. We also examine the estimated gas-phase metallicity with the metallicities obtained using electron-temperature-based methods. A number of byproducts follow from the analysis. There is a tight correlation between the age of the stellar population and the metallicity of the gas, which is stronger than the correlations between galaxy mass and stellar age, and galaxy mass and gas metallicity. The galaxy spectra are known to follow a one-dimensional sequence, and we identify the luminosity-weighted mean stellar age as the affine parameter that describes the sequence. All ASK classes happen to have a significant fraction of old stars, although spectrum-wise they are outshined by the youngest populations. Old stars are metal-rich or metal-poor depending on whether they reside in passive galaxies or in star-forming galaxies.

LSD-based analysis of high-resolution stellar spectra

Science.gov (United States)

Tsymbal, V.; Tkachenko, A.; Van, Reeth T.

2014-11-01

We present a generalization of the method of least-squares deconvolution (LSD), a powerful tool for extracting high S/N average line profiles from stellar spectra. The generalization of the method is effected by extending it towards the multiprofile LSD and by introducing the possibility to correct the line strengths from the initial mask. We illustrate the new approach by two examples: (a) the detection of astroseismic signatures from low S/N spectra of single stars, and (b) disentangling spectra of multiple stellar objects. The analysis is applied to spectra obtained with 2-m class telescopes in the course of spectroscopic ground-based support for space missions such as CoRoT and Kepler. Usually, rather high S/N is required, so smaller telescopes can only compete successfully with more advanced ones when one can apply a technique that enables a remarkable increase in the S/N of the spectra which they observe. Since the LSD profiles have a potential for reconstruction what is common in all the spectral profiles, it should have a particular practical application to faint stars observed with 2-m class telescopes and whose spectra show remarkable LPVs.

Fourier transform spectra of quantum dots

Science.gov (United States)

Damian, V.; Ardelean, I.; Armăşelu, Anca; Apostol, D.

2010-05-01

Semiconductor quantum dots are nanometer-sized crystals with unique photochemical and photophysical properties that are not available from either isolated molecules or bulk solids. These nanocrystals absorb light over a very broad spectral range as compared to molecular fluorophores which have very narrow excitation spectra. High-quality QDs are proper to be use in different biological and medical applications (as fluorescent labels, the cancer treatment and the drug delivery). In this article, we discuss Fourier transform visible spectroscopy of commercial quantum dots. We reveal that QDs produced by Evident Technologies when are enlightened by laser or luminescent diode light provides a spectral shift of their fluorescence spectra correlated to exciting emission wavelengths, as shown by the ARCspectroNIR Fourier Transform Spectrometer. In the final part of this paper we show an important biological application of CdSe/ZnS core-shell ODs as microbial labeling both for pure cultures of cyanobacteria (Synechocystis PCC 6803) and for mixed cultures of phototrophic and heterotrophic microorganisms.

Differential dpa calculations with SPECTRA-PKA

Science.gov (United States)

Gilbert, M. R.; Sublet, J.-Ch.

2018-06-01

The processing code SPECTRA-PKA produces energy spectra of primary atomic recoil events (or primary knock-on atoms, PKAs) for any material composition exposed to an irradiation spectrum. Such evaluations are vital inputs for simulations aimed at understanding the evolution of damage in irradiated material, which is generated in cascade displacement events initiated by PKAs. These PKA spectra present the full complexity of the input (to SPECTRA-PKA) nuclear data-library evaluations of recoil events. However, the commonly used displacements per atom (dpa) measure, which is an integral measure over all possible recoil events of the displacement damage dose, is still widely used and has many useful applications - as both a comparative and correlative quantity. This paper describes the methodology employed that allows the SPECTRA-PKA code to evaluate dpa rates using the energy-dependent recoil (PKA) cross section data used for the PKA distributions. This avoids the need for integral displacement kerma cross sections and also provides new insight into the relative importance of different reaction channels (and associated different daughter residual and emitted particles) to the total integrated dpa damage dose. Results are presented for Fe, Ni, W, and SS316. Fusion dpa rates are compared to those in fission, highlighting the increased contribution to damage creation in the former from high-energy threshold reactions.

Supporting continuous media communications and applications by exploiting their special characteristics

OpenAIRE

Fan, C.

1998-01-01

Distributed multimedia applications need end-to-end support from both the networks and the endsystems. The operating systems are critical both for accessing networking services and for controlling the activities on the endsystems. It is therefore vital to enhance the functionality and performance of the operating system in order to provide feasible support for multimedia communications and applications. The work proposes to support multimedia, especially continuous media, communications and a...

Generation of synthetic time histories compatible with multiple-damping design response spectra

International Nuclear Information System (INIS)

Lilhanand, K.; Tseng, W.S.

1987-01-01

Seismic design of nuclear power plants as currently practiced requires time history analyses be performed to generate floor response spectra for seismic qualification of piping, equipment, and components. Since design response spectra are normally prescribed in the form of smooth spectra, the generation of synthetic time histories whose response spectra closely match the ''target'' design spectra of multiple damping values, is often required for the seismic time history analysis purpose. Various methods of generation of synthetic time histories compatible with target response spectra have been proposed in the literature. Since the mathematical problem of determining a time history from a given set of response spectral values is not unique, an exact solution is not possible, and all the proposed methods resort to some forms of approximate solutions. In this paper, a new iteration scheme, is described which effectively removes the difficulties encountered by the existing methods. This new iteration scheme can not only improve the accuracy of spectrum matching for a single-damping target spectrum, but also automate the spectrum matching for multiple-damping target spectra. The applicability and limitations as well as the method adopted to improve the numerical stability of this new iteration scheme are presented. The effectiveness of this new iteration scheme is illustrated by two example applications

Real-time Fourier transformation of lightwave spectra and application in optical reflectometry.

Science.gov (United States)

Malacarne, Antonio; Park, Yongwoo; Li, Ming; LaRochelle, Sophie; Azaña, José

2015-12-14

We propose and experimentally demonstrate a fiber-optics scheme for real-time analog Fourier transform (FT) of a lightwave energy spectrum, such that the output signal maps the FT of the spectrum of interest along the time axis. This scheme avoids the need for analog-to-digital conversion and subsequent digital signal post-processing of the photo-detected spectrum, thus being capable of providing the desired FT processing directly in the optical domain at megahertz update rates. The proposed concept is particularly attractive for applications requiring FT analysis of optical spectra, such as in many optical Fourier-domain reflectrometry (OFDR), interferometry, spectroscopy and sensing systems. Examples are reported to illustrate the use of the method for real-time OFDR, where the target axial-line profile is directly observed in a single-shot oscilloscope trace, similarly to a time-of-flight measurement, but with a resolution and depth of range dictated by the underlying interferometry scheme.

Frequency comb generation in a continuously pumped optical parametric oscillator

Science.gov (United States)

Mosca, S.; Parisi, M.; Ricciardi, I.; Leo, F.; Hansson, T.; Erkintalo, M.; Maddaloni, P.; De Natale, P.; Wabnitz, S.; De Rosa, M.

2018-02-01

We demonstrate optical frequency comb generation in a continuously pumped optical parametric oscillator, in the parametric region around half of the pump frequency. We also model the dynamics of such quadratic combs using a single time-domain mean-field equation, and obtain simulation results that are in good agreement with experimentally observed spectra. Moreover, we numerically investigate the coherence properties of simulated combs, showing the existence of correlated and phase-locked combs. Our work could pave the way for a new class of frequency comb sources, which may enable straightforward access to new spectral regions and stimulate novel applications of frequency combs.

Neutron spectra produced by moderating an isotopic neutron source

International Nuclear Information System (INIS)

Carrillo Nunnez, Aureliano; Vega Carrillo, Hector Rene

2001-01-01

A Monte Carlo study has been carried out to determine the neutron spectra produced by an isotopic neutron source inserted in moderating media. Most devices used for radiation protection have a response strongly dependent on neutron energy. ISO recommends several neutron sources and monoenergetic neutron radiations, but actual working situations have broad spectral neutron distributions extending from thermal to MeV energies, for instance, near nuclear power plants, medical applications accelerators and cosmic neutrons. To improve the evaluation of the dosimetric quantities, is recommended to calibrate the radiation protection devices in neutron spectra which are nearly like those met in practice. In order to complete the range of neutron calibrating sources, it seems useful to develop several wide spectral distributions representative of typical spectra down to thermal energies. The aim of this investigation was to use an isotopic neutron source in different moderating media to reproduce some of the neutron fields found in practice. MCNP code has been used during calculations, in these a 239PuBe neutron source was inserted in H2O, D2O and polyethylene moderators. Moderators were modeled as spheres and cylinders of different sizes. In the case of cylindrical geometry the anisotropy of resulting neutron spectra was calculated from 0 to 2 . From neutron spectra dosimetric features were calculated. MCNP calculations were validated by measuring the neutron spectra of a 239PuBe neutron source inserted in a H2O cylindrical moderator. The measurements were carried out with a multisphere neutron spectrometer with a 6LiI(Eu) scintillator. From the measurements the neutron spectrum was unfolded using the BUNKIUT code and the UTA4 response matrix. Some of the moderators with the source produce a neutron spectrum close to spectra found in actual applications, then can be used during the calibration of radiation protection devices

Identifying Broadband Rotational Spectra with Neural Networks

Science.gov (United States)

Zaleski, Daniel P.; Prozument, Kirill

2017-06-01

A typical broadband rotational spectrum may contain several thousand observable transitions, spanning many species. Identifying the individual spectra, particularly when the dynamic range reaches 1,000:1 or even 10,000:1, can be challenging. One approach is to apply automated fitting routines. In this approach, combinations of 3 transitions can be created to form a "triple", which allows fitting of the A, B, and C rotational constants in a Watson-type Hamiltonian. On a standard desktop computer, with a target molecule of interest, a typical AUTOFIT routine takes 2-12 hours depending on the spectral density. A new approach is to utilize machine learning to train a computer to recognize the patterns (frequency spacing and relative intensities) inherit in rotational spectra and to identify the individual spectra in a raw broadband rotational spectrum. Here, recurrent neural networks have been trained to identify different types of rotational spectra and classify them accordingly. Furthermore, early results in applying convolutional neural networks for spectral object recognition in broadband rotational spectra appear promising. Perez et al. "Broadband Fourier transform rotational spectroscopy for structure determination: The water heptamer." Chem. Phys. Lett., 2013, 571, 1-15. Seifert et al. "AUTOFIT, an Automated Fitting Tool for Broadband Rotational Spectra, and Applications to 1-Hexanal." J. Mol. Spectrosc., 2015, 312, 13-21. Bishop. "Neural networks for pattern recognition." Oxford university press, 1995.

On an elastic dissipation model as continuous approximation for discrete media

Directory of Open Access Journals (Sweden)

I. V. Andrianov

2006-01-01

Full Text Available Construction of an accurate continuous model for discrete media is an important topic in various fields of science. We deal with a 1D differential-difference equation governing the behavior of an n-mass oscillator with linear relaxation. It is known that a string-type approximation is justified for low part of frequency spectra of a continuous model, but for free and forced vibrations a solution of discrete and continuous models can be quite different. A difference operator makes analysis difficult due to its nonlocal form. Approximate equations can be obtained by replacing the difference operators via a local derivative operator. Although application of a model with derivative of more than second order improves the continuous model, a higher order of approximated differential equation seriously complicates a solution of continuous problem. It is known that accuracy of the approximation can dramatically increase using Padé approximations. In this paper, one- and two-point Padé approximations suitable for justify choice of structural damping models are used.

A posteriori noise estimation in variable data sets. With applications to spectra and light curves

Science.gov (United States)

Czesla, S.; Molle, T.; Schmitt, J. H. M. M.

2018-01-01

Most physical data sets contain a stochastic contribution produced by measurement noise or other random sources along with the signal. Usually, neither the signal nor the noise are accurately known prior to the measurement so that both have to be estimated a posteriori. We have studied a procedure to estimate the standard deviation of the stochastic contribution assuming normality and independence, requiring a sufficiently well-sampled data set to yield reliable results. This procedure is based on estimating the standard deviation in a sample of weighted sums of arbitrarily sampled data points and is identical to the so-called DER_SNR algorithm for specific parameter settings. To demonstrate the applicability of our procedure, we present applications to synthetic data, high-resolution spectra, and a large sample of space-based light curves and, finally, give guidelines to apply the procedure in situation not explicitly considered here to promote its adoption in data analysis.

RCI Simulation for EUV spectra from Sn ions

International Nuclear Information System (INIS)

Kagawa, T; Tanuma, H; Ohashi, H; Nishihara, K

2007-01-01

Using the relativistic-configuration-interaction atomic structure code, RCI simulations for EUV spectra from Sn 10+ , Sn 11+ and Sn 12+ ions are carried out, where it is assumed that each ion is embedded in a LTE plasma with the electron temperature of 30 eV. To make clear assignment of the measured spectra, the value of the excitation energy limit, which is introduced to limit the number of excited states in the simulation, is changed to see the excitation-energy-limit dependence of the spectral shape. The simulated spectra are obtained as a superposition of line intensities due to all possible transitions between two states whose excitation energy from the ground state is lower than the excitation energy limit assumed. The RCI simulated spectra are compared to the spectra measured with the chargeexchange- collision experiment in which a rare gas such as Xe or He as a target is bombarded by a charge-selected tin ion. Applicability of the LTE model to a decay model in the charge exchange collision experiment is also discussed

Distortions in power spectra of digitized signals - II: Suggested solution

International Nuclear Information System (INIS)

Njau, E.C.

1982-04-01

In Part I of this report we developed analytical expressions which represent exactly the energy density spectra of ''digitization processes'' that are essentially involved in spectral analysis of continuous signals. Besides, we related the spectral energy density of each digitization process to the parameters of the exact spectral energy density of the corresponding signal. On this basis, we briefly discussed the forms of distortions (or false structures) which are present in normally computed power spectra when the corresponding spectra of the digitization processes are not sufficiently decoupled from or nullified in the computed spectra. The biggest worry with regard to these distortions is not only that they may mask the actual information contained in the original signal, but also they may tempt the researcher to establish false characteristics about the signal involved. It is, in this context, that any reasonable method that could be used (even conditionally) to pinpoint false structures in computed power spectra would be both timely and useful. A simple, handy guidance through which some portions of computed energy density spectra which are dominated by the false structures mentioned above, can be located is presented herein. Equations are presented which give the various frequencies at which false peaks may be located in such ''contaminated'' portions of computed energy density spectra. The occurrence of frequency shifts in computed power spectra is also briefly discussed. (author)

A Comparison Of GADRAS Simulated And Measured Gamma Ray Spectra

International Nuclear Information System (INIS)

Jeffcoat, R.; Salaymeh, S.

2010-01-01

Gamma-ray radiation detection systems are continuously being developed and improved for detecting the presence of radioactive material and for identifying isotopes present. Gamma-ray spectra, from many different isotopes and in different types and thicknesses of attenuation material and matrixes, are needed to evaluate the performance of these devices. Recently, a test and evaluation exercise was performed by the Savannah River National Laboratory that required a large number of gamma-ray spectra. Simulated spectra were used for a major portion of the testing in order to provide a pool of data large enough for the results to be statistically significant. The test data set was comprised of two types of data, measured and simulated. The measured data were acquired with a hand-held Radioisotope Identification Device (RIID) and simulated spectra were created using Gamma Detector Response and Analysis Software (GADRAS, Mitchell and Mattingly, Sandia National Laboratory). GADRAS uses a one-dimensional discrete ordinate calculation to simulate gamma-ray spectra. The measured and simulated spectra have been analyzed and compared. This paper will discuss the results of the comparison and offer explanations for spectral differences.

Creating an iPhone Application for Collecting Continuous ABC Data

Science.gov (United States)

Whiting, Seth W.; Dixon, Mark R.

2012-01-01

This paper provides an overview and task analysis for creating a continuous ABC data- collection application using Xcode on a Mac computer. Behavior analysts can program an ABC data collection system, complete with a customized list of target clients, antecedents, behaviors, and consequences to be recorded, and have the data automatically sent to…

Clinical applications of continuous infusion chemotherapy ahd concomitant radiation therapy

International Nuclear Information System (INIS)

Rosenthal, C.J.; Rotman, M.

1986-01-01

This book presents information on the following topics: theoretical basis and clinical applications of 5-FU as a radiosensitizer; treatment of hepatic metastases from gastro intestingal primaries with split course radiation therapy; combined modality therapy with 5-FU, Mitomycin-C and radiation therapy for sqamous cell cancers; treatment of bladder carcinoma with concomitant infusion chemotherapy and irradiation; a treatment of invasiv bladder cancer by the XRT/5FU protocol; concomitant radiation therapy and doxorubicin by continuous infusion in advanced malignancies; cis platin by continuous infusion with concurrent radiation therapy in malignant tumors; combination of radiation with concomitant continuous adriamycin infusion in a patient with partially excised pleomorphic soft tissue sarcoma of the lower extremeity; treatment of recurrent carcinoma of the paranasal sinuses using concomitant infusion cis-platinum and radiation therapy; hepatic artery infusion for hepatic metastases in combination with hepatic resection and hepatic radiation; study of simultaneous radiation therapy, continuous infusion, 5FU and bolus mitomycin-C; cancer of the esophagus; continuous infusion VP-16, bolus cis-platinum and simultaneous radiation therapy as salvage therapy in small cell bronchogenic carcinoma; and concomitant radiation, mitomycin-C and 5-FU infusion in gastro intestinal cancer

Evaluation of the efficiency of computer-aided spectra search systems based on information theory

International Nuclear Information System (INIS)

Schaarschmidt, K.

1979-01-01

Application of information theory allows objective evaluation of the efficiency of computer-aided spectra search systems. For this purpose, a significant number of search processes must be analyzed. The amount of information gained by computer application is considered as the difference between the entropy of the data bank and a conditional entropy depending on the proportion of unsuccessful search processes and ballast. The influence of the following factors can be estimated: volume, structure, and quality of the spectra collection stored, efficiency of the encoding instruction and the comparing algorithm, and subjective errors involved in the encoding of spectra. The relations derived are applied to two published storage and retrieval systems for infared spectra. (Auth.)

Application of NASVD method in the CE1-GRS spectra analysis

International Nuclear Information System (INIS)

Yang Jia; Ge Liangquan; Xiong Shengqing

2010-01-01

From the spectral shape features of the Chang'e-1 gamma-ray spectrometer (CE1-GRS) spectra data of level 3, it is difficult to identify elemental composition of the lunar surface. The paper proposes using Noise Adjusted Singular Value Decomposition (NASVD) method to qualitative analysis of CE1-GRS spectra. The result shows that a number of possible elements such as U, Th, K, Fe, Ti, Si, O, Al, Mg and Ca are qualitatively determined by this method.On the other hand, for each measured spectrum, the absolute value of the amplitude corresponding to the first spectral component indicates the total activity of its corresponding lunar surface region's radioactivity. (authors)

Automated method of phasing difficult nuclear magnetic resonance spectra with application to the unsaturated carbon analysis of oils

Energy Technology Data Exchange (ETDEWEB)

Sterna, L.L.; Tong, V.P. (Shell Development Company, Houston, TX (USA). Westhollow Research Center)

1991-08-01

A new method for the automated phasing of n.m.r. spectra is described. The basis of the automation is that the software performs the phasing in the same fashion as a trained n.m.r. operator rather than using mathematical relationships between absorptive and dispersive spectra. The method is illustrated with processing of the {sup 13}C n.m.r. spectrum of a catalytic cracking feedstock. The software readily phased the spectrum even though the spectrum had very broad features and a significant baseline correction. The software performed well even when the time-domain data was left-shifted to introduce a large first-order phase error. The method was applied to measure the percentage of unsaturated carbon in hydrocarbons. Extensive tests were performed to compare automated processing with manual processing for this application; the automated method was found to give both better precision and accuracy. The method can be easily tailored to many other types of analyses. 9 refs., 4 figs., 3 tabs.

Proposal and Evaluation of Subordinate Standard Solar Irradiance Spectra: Preprint

Energy Technology Data Exchange (ETDEWEB)

Habte, Aron M [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Wilbert, Stefan [German Aerospace Center (DLR); Jessen, Wilko [German Aerospace Center (DLR); Gueymard, Chris [Solar Consulting Services; Polo, Jesus [CIEMAT; Bian, Zeqiang [China Meteorological Administration; Driesse, Anton [Photovoltaic Performance Labs; Marzo, Aitor [University of Antofagasta; Armstrong, Peter [Masdar Institute of Science & Technology; Vignola, Frank [University of Oregon; Ramirez, Lourdes [CIEMAT

2018-04-12

This paper introduces a concept for global tilted irradiance (GTI) subordinate standard spectra to supplement the current standard spectra used in solar photovoltaic applications as defined in ASTM G173 and IEC60904. The proposed subordinate standard spectra correspond to atmospheric conditions and tilt angles that depart significantly from the main standard spectrum, and they can be used to more accurately represent various local conditions. For the definition of subordinate standard spectra cases with an elevation 1.5 km above sea level, the question arises whether the air mass should be calculated including a pressure correction or not. This study focuses on the impact of air mass used in standard spectra, and it uses data from 29 locations to examine which air mass is most appropriate for GTI and direct normal irradiance (DNI) spectra. Overall, it is found that the pressure-corrected air mass of 1.5 is most appropriate for DNI spectra. For GTI, a non-pressure-corrected air mass of 1.5 was found to be more appropriate.

Automatic processing of gamma ray spectra employing classical and modified Fourier transform approach

International Nuclear Information System (INIS)

Rattan, S.S.; Madan, V.K.

1994-01-01

This report describes methods for automatic processing of gamma ray spectra acquired with HPGe detectors. The processing incorporated both classical and signal processing approach. The classical method was used for smoothing, detecting significant peaks, finding peak envelope limits and a proposed method of finding peak limits, peak significance index, full width at half maximum, detecting doublets for further analysis. To facilitate application of signal processing to nuclear spectra, Madan et al. gave a new classification of signals and identified nuclear spectra as Type II signals, mathematically formalized modified Fourier transform and pioneered its application to process doublet envelopes acquired with modern spectrometers. It was extended to facilitate routine analysis of the spectra. A facility for energy and efficiency calibration was also included. The results obtained by analyzing observed gamma-ray spectra using the above approach compared favourably with those obtained with SAMPO and also those derived from table of radioisotopes. (author). 15 refs., 3 figs., 3 tabs

Application of phase correction to improve the interpretation of crude oil spectra obtained using 7 T Fourier transform ion cyclotron resonance mass spectrometry.

Science.gov (United States)

Cho, Yunju; Qi, Yulin; O'Connor, Peter B; Barrow, Mark P; Kim, Sunghwan

2014-01-01

In this study, a phase-correction technique was applied to the study of crude oil spectra obtained using a 7 T Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS). 7 T FT-ICR MS had not been widely used for oil analysis due to the lower resolving power compared with high field FT-ICR MS. For low field instruments, usage of data that has not been phase-corrected results in an inability to resolve critical mass splits of C3 and SH4 (3.4 mDa), and (13)C and CH (4.5 mDa). This results in incorrect assignments of molecular formulae, and discontinuous double bond equivalents (DBE) and carbon number distributions of S1, S2, and hydrocarbon classes are obtained. Application of phase correction to the same data, however, improves the reliability of assignments and produces continuous DBE and carbon number distributions. Therefore, this study clearly demonstrates that phase correction improves data analysis and the reliability of assignments of molecular formulae in crude oil anlayses.

Instrumental broadening of spectral line profiles due to discrete representation of a continuous physical quantity

International Nuclear Information System (INIS)

Dulov, E.N.; Khripunov, D.M.

2008-01-01

It is the usual situation in spectroscopy that a continuous physical quantity, which plays the role of a spectral function argument (i.e. the abscissa of a spectrum), is sampled electronically as discrete point clouds or channels. Each channel corresponds to the midpoint of a small interval of the continuous argument. The experimentally registered value of intensity in the channel describes the averaged spectral intensity in this interval. However, an approximation of spectra by a continuous theoretical model function often assumes that the interval is small enough, and tabulation of the theoretical model function may be used without appreciable disadvantages for the fitting results. At this point, a new type of approximation error appears, such as the error of midpoint approximation to a definite integral in the rectangle method of numeric integration. This paper aims at quantitative estimation of this error in the cases of a pure Lorentz lineshape and a generalized Voigt contour. It is shown that discrete representation of continuous spectral data leads to some non-physical broadening in comparison with the tabulated model function. As a first approximation it is normal broadening. We show that even in the case of a Lorentz true lineshape we must use the tabulated Voigt function measured in channels fixed Gauss linewidth rather than a tabulated Lorentzian. Application of the results of this paper is demonstrated on Moessbauer spectra

Evaluation of double differential yield as used for representation of neutron spectra

International Nuclear Information System (INIS)

Solieman, A.H.M.; Comsan, M.N.H.

2002-01-01

The neutron intensity for TOF spectra representation has, until now, only been expressed in terms of double differential yield; number of neutrons per unit charge per unit solid angle per unit neutron energy interval (i.e. neutron intensity at a given resolving power). For accelerator-based neutron sources, the double differential yield - in terms of neutron energy interval - is found to be affected by the kinematics of the neutron producing reaction, to produce intensity irrelevant spectra. The results affect not only the applications that depend on relative neutron intensities, but also the applications that depend on the neutron intensity-weighted integration of the neutron spectra (e.g. neutron average energy calculation, and dose calculation using kerma factors). Other definition of the double differential yield - in terms of projectile energy loss - is suggested to avoid the drawbacks of the old definition. The neutron spectra that are driven using the two definitions are discussed

Program LEPS to addition of gamma spectra from germanium detectors

International Nuclear Information System (INIS)

Romero, L.

1986-01-01

The LEP program, written in FORTRAN IV, performs the addition of two spectra, collected with different detectors, from the same sample. This application, adds the two gamma spectra obtained from two opposite LEPS Germanium Detectors (Low Energy Photon Spectrometer), correcting the differences (channel/energy) between both two spectra, and fitting them before adding. The total-spectrum is recorded at the computer memory as a single spectrum. The necessary equipment, to run this program is: - Two opposite germanium detectors, with their associate electronics. - Multichannel analyzer (2048 memory channel minimum) - Computer on-line interfacing to multichannel analyzer. (Author) 4 refs

Simulation of attenuated total reflection infrared absorbance spectra: applications to automotive clear coat forensic analysis.

Science.gov (United States)

Lavine, Barry K; Fasasi, Ayuba; Mirjankar, Nikhil; Nishikida, Koichi; Campbell, Jay

2014-01-01

Attenuated total reflection (ATR) is a widely used sampling technique in infrared (IR) spectroscopy because minimal sample preparation is required. Since the penetration depth of the ATR analysis beam is quite shallow, the outer layers of a laminate or multilayered paint sample can be preferentially analyzed with the entire sample intact. For this reason, forensic laboratories are taking advantage of ATR to collect IR spectra of automotive paint systems that may consist of three or more layers. However, the IR spectrum of a paint sample obtained by ATR will exhibit distortions, e.g., band broadening and lower relative intensities at higher wavenumbers, compared with its transmission counterpart. This hinders library searching because most library spectra are measured in transmission mode. Furthermore, the angle of incidence for the internal reflection element, the refractive index of the clear coat, and surface contamination due to inorganic contaminants can profoundly influence the quality of the ATR spectrum obtained for automotive paints. A correction algorithm to allow ATR spectra to be searched using IR transmission spectra of the paint data query (PDQ) automotive database is presented. The proposed correction algorithm to convert transmission spectra from the PDQ library to ATR spectra is able to address distortion issues such as the relative intensities and broadening of the bands, and the introduction of wavelength shifts at lower frequencies, which prevent library searching of ATR spectra using archived IR transmission data.

Portable bioimpedance monitor evaluation for continuous impedance measurements. Towards wearable plethysmography applications.

Science.gov (United States)

Ferreira, J; Seoane, F; Lindecrantz, K

2013-01-01

Personalised Health Systems (PHS) that could benefit the life quality of the patients as well as decreasing the health care costs for society among other factors are arisen. The purpose of this paper is to study the capabilities of the System-on-Chip Impedance Network Analyser AD5933 performing high speed single frequency continuous bioimpedance measurements. From a theoretical analysis, the minimum continuous impedance estimation time was determined, and the AD5933 with a custom 4-Electrode Analog Front-End (AFE) was used to experimentally determine the maximum continuous impedance estimation frequency as well as the system impedance estimation error when measuring a 2R1C electrical circuit model. Transthoracic Electrical Bioimpedance (TEB) measurements in a healthy subject were obtained using 3M gel electrodes in a tetrapolar lateral spot electrode configuration. The obtained TEB raw signal was filtered in MATLAB to obtain the respiration and cardiogenic signals, and from the cardiogenic signal the impedance derivative signal (dZ/dt) was also calculated. The results have shown that the maximum continuous impedance estimation rate was approximately 550 measurements per second with a magnitude estimation error below 1% on 2R1C-parallel bridge measurements. The displayed respiration and cardiac signals exhibited good performance, and they could be used to obtain valuable information in some plethysmography monitoring applications. The obtained results suggest that the AD5933-based monitor could be used for the implementation of a portable and wearable Bioimpedance plethysmograph that could be used in applications such as Impedance Cardiography. These results combined with the research done in functional garments and textile electrodes might enable the implementation of PHS applications in a relatively short time from now.

Optimization and energy spectra of x-ray to be used for imaging

International Nuclear Information System (INIS)

Nakamori, Nobuyuki; Kanamori, Hitoshi

1979-01-01

The relations of the spectra of X-ray used for diagnosis to the absorbed dose of patients and X-ray information are now being investigated by a number of investigators. Here the problems and the trends of the investigations at present are described. Advent of semiconductor detectors has improved the accuracy of measuring X-ray spectra very rapidly. However, since the semiconductor detectors themselves utilize X-ray photon absorption, calibration curves must be prepared for obtaining the true X-ray spectra. Though there are methods of theoretically determining X-ray spectra, no definite theoretical formula is found. Thus, the derivation of an empirical equation based on measured data would be the most fundamental problem. Interactions in an object and the change of X-ray spectra are described on the case of monochromatic and continuous X-ray irradiation. As mentioned above, beam hardening occurs when X-ray enters a matter deep, because the interactions between X-ray and the matter depend upon the photon energy. There are a few methods for correcting the variation of CT (computed tomography) number due to beam hardening. However, prior to this, there are two methods of representing continuous X-ray with single energy, and the unification of the methods or a new way of defining X-ray quality is needed. It has been and is always desirable that monochromatic X-ray source becomes to be useable, and various methods are proposed. (Wakatsuki, Y.)

Raman spectra of lignin model compounds

Science.gov (United States)

Umesh P. Agarwal; Richard S. Reiner; Ashok K. Pandey; Sally A. Ralph; Kolby C. Hirth; Rajai H. Atalla

2005-01-01

To fully exploit the value of Raman spectroscopy for analyzing lignins and lignin containing materials, a detailed understanding of lignins’ Raman spectra needs to be achieved. Although advances made thus far have led to significant growth in application of Raman techniques, further developments are needed to improve upon the existing knowledge. Considering that lignin...

On fuzzy quasi continuity and an application of fuzzy set theory

CERN Document Server

Mahmoud, R A

2003-01-01

Where as classical topology has been developed closely connected with classical analysis describing topological phenomena in analysis, fuzzy topology with its important application in quantum gravity indicated by Witten and Elnaschie, has only been introduced as an analogue of the classical topology. The development of fuzzy topology without close relations to analytical problems did not give the possibility of testing successfully the applicability of the new notions and results. Till now this situation did not change, essentially. Although, many types of fuzzy sets and fuzzy functions having the quasi-property in both of weak and strong than openness and continuity, respectively, have been studied in detail. Many properties on fuzzy topological spaces such as compactness are discussed via fuzzy notion. While others are far from being completely devoted in its foundation. So, this paper is devoted to present a new class of fuzzy quasi-continuous functions via fuzzy compactness has been defined. Some characte...

Delin and Delog codes for graphic representation of gamma ray spectra

International Nuclear Information System (INIS)

Travesi, A.; Romero, L.

1983-01-01

Two FORTRAN IV Codes have been developed for graphic representation of the gamma-ray spectra obtained with GeLi detectors and multichannel analyzers. The graphic plotting is carried out with the H.P. Graphic Plotter Mod HP-7221 A, using the graphic package software GRAPHICS-1000 from Hewlett-Packard. The codes have a great versatility and the representation of gamma spectra can be done in a lineal, semilog, or log-log scale, as desired. The gamma ray spectra data are fed into the computer through magnetic tape or perforated paper tape. The different output options and complementary data are given in a conversational way through a terminal with TV display. Among the options that can be selected by the user are the following: 1) smoothing the spectra; 2) drawing the spectra point by point or continuous; 3) output drawing in 1, 2 or 4 sheets with automatic division of the energy scale; 4) overlapping of selected spectra regions in γ-scale ampliation with automatic printout of the region limits and ampliation factor; 5) printing spectra data and identifications of selected photopeaks. The codes can be employed with any computer using printing devices, HP-GRAPHICS 1000 software compatible, but are easily modified for another printing software since their modular structure with FORTRAN IV written subroutines. (author)

DELIN and DELOG codes for graphic representation of gamma ray spectra

International Nuclear Information System (INIS)

Romero, L.; Travesi, A.

1983-01-01

Two Fortran IV Codes has been developed for graphic representation of the gamma-ray spectra obtained with Ge Li detectors and multichannel analyzers. The grafic plotting es carried out with the H.P. Graphic Plotter Mod HP-7221 A, using the graphic package software GRAPHICS-1000 from Hewlett-Packard. The codes have a great versatility and the representation of gamma spectra can ba done in a lineal, semi log, or log-log scale, as desired. The gamma ray spectra data are feed into the computer through magnetic tape or perfored paper tape. The different out-put options and complementary data are given in a conversational way through a terminal with T.V. displays. Among the options that can be selected by the user are the following: - smoothing the spectra - drawing the spectra point by point or continuous - out-put drawing an 1, 2, or 4 sheet with automatic division of the energy scale. - overlapping of selected spectra regions in Y scale ampliation with automatic print-out of the region limits and ampliation factor. - Printing spectra data and identifications of selected photo peaks. The codes can be employed with any computer using printing devices, HP-Graphics 1000 software compatible, but are easily modified for another printing software since their modular structure with Fortran IV written

Blind Source Separation For Ion Mobility Spectra

International Nuclear Information System (INIS)

Marco, S.; Pomareda, V.; Pardo, A.; Kessler, M.; Goebel, J.; Mueller, G.

2009-01-01

Miniaturization is a powerful trend for smart chemical instrumentation in a diversity of applications. It is know that miniaturization in IMS leads to a degradation of the system characteristics. For the present work, we are interested in signal processing solutions to mitigate limitations introduced by limited drift tube length that basically involve a loss of chemical selectivity. While blind source separation techniques (BSS) are popular in other domains, their application for smart chemical instrumentation is limited. However, in some conditions, basically linearity, BSS may fully recover the concentration time evolution and the pure spectra with few underlying hypothesis. This is extremely helpful in conditions where non-expected chemical interferents may appear, or unwanted perturbations may pollute the spectra. SIMPLISMA has been advocated by Harrington et al. in several papers. However, more modern methods of BSS for bilinear decomposition with the restriction of positiveness have appeared in the last decade. In order to explore and compare the performances of those methods a series of experiments were performed.

A novel measuring method for arbitrary optical vortex by three spiral spectra

Energy Technology Data Exchange (ETDEWEB)

Ni, Bo [School of Physics and Telecommunication Engineering, South China Normal University, Guangzhou 510006 (China); Guo, Lana [School of Electronics and Information, Guangdong Polytechnic Normal University, Guangzhou 510665 (China); Yue, Chengfeng [School of Physics and Telecommunication Engineering, South China Normal University, Guangzhou 510006 (China); Tang, Zhilie, E-mail: tangzhl@scnu.edu.cn [School of Physics and Telecommunication Engineering, South China Normal University, Guangzhou 510006 (China)

2017-02-26

In this letter, the topological charge of non-integer vortices determined by three arbitrary spiral spectra is theoretically demonstrated for the first time. Based on the conclusion, a novel method to measure non-integer vortices is presented. This method is applicable not only to arbitrary non-integer vortex but also to arbitrary integer vortex. - Highlights: • Different non-integer vortices cannot have three spiral spectra is demonstrated. • Relationship between the non-integer topological charge and the spiral spectra is presented. • Topological charge of non-integer vortices can be determined by three arbitrary spiral spectra.

Library search with regular reflectance IR spectra

International Nuclear Information System (INIS)

Staat, H.; Korte, E.H.; Lampen, P.

1989-01-01

Characterisation in situ for coatings and other surface layers is generally favourable, but a prerequisite for precious items such as art objects. In infrared spectroscopy only reflection techniques are applicable here. However for attenuated total reflection (ATR) it is difficult to obtain the necessary optical contact of the crystal with the sample, when the latter is not perfectly plane or flexible. The measurement of diffuse reflectance demands a scattering sample and usually the reflectance is very poor. Therefore in most cases one is left with regular reflectance. Such spectra consist of dispersion-like feature instead of bands impeding their interpretation in the way the analyst is used to. Furthermore for computer search in common spectral libraries compiled from transmittance or absorbance spectra a transformation of the reflectance spectra is needed. The correct conversion is based on the Kramers-Kronig transformation. This somewhat time - consuming procedure can be speeded up by using appropriate approximations. A coarser conversion may be obtained from the first derivative of the reflectance spectrum which resembles the second derivative of a transmittance spectrum. The resulting distorted spectra can still be used successfully for the search in peak table libraries. Experiences with both transformations are presented. (author)

Applications of Continuous-Flow Photochemistry in Organic Synthesis, Material Science, and Water Treatment.

Science.gov (United States)

Cambié, Dario; Bottecchia, Cecilia; Straathof, Natan J W; Hessel, Volker; Noël, Timothy

2016-09-14

Continuous-flow photochemistry in microreactors receives a lot of attention from researchers in academia and industry as this technology provides reduced reaction times, higher selectivities, straightforward scalability, and the possibility to safely use hazardous intermediates and gaseous reactants. In this review, an up-to-date overview is given of photochemical transformations in continuous-flow reactors, including applications in organic synthesis, material science, and water treatment. In addition, the advantages of continuous-flow photochemistry are pointed out and a thorough comparison with batch processing is presented.

Molecular absorption spectra of beryllium, cerium, lanthanum, iron, and platinum salts

International Nuclear Information System (INIS)

Daidoji, Hidehiro

1980-01-01

The absorption spectra of some salts of beryllium, cerium, lanthanum, iron and platinum in air-acetylene flame were measured in the wavelength range from 200 to 400 nm. A Hitachi 207 type atomic absorption spectrophotometer was used. A deuterium lamp, a home-made continuous radiation lamp and some hollow cathode lamps were used as light sources. The new molecular absorption spectra of cerium, lanthanum and platinum and the absorption spectra due to Be(OH) 2 , LaO, PtH, FeO and FeCl in 200-400 nm region were obtained. Emission spectra of CeO, LaO and FeOH were also obtained. These molecular absorption bands were estimated as absorption errors of maximum 15 times to the sensitivity of each elements in atomic absorption spectrometry. In addition, spectral line interferences of iron were observed in atomic absorption spectrometry of Zn, Cd, Ni, Cu and Cr. (author)

Spectra of turbulent static pressure fluctuations in jet mixing layers

Science.gov (United States)

Jones, B. G.; Adrian, R. J.; Nithianandan, C. K.; Planchon, H. P., Jr.

1977-01-01

Spectral similarity laws are derived for the power spectra of turbulent static pressure fluctuations by application of dimensional analysis in the limit of large turbulent Reynolds number. The theory predicts that pressure spectra are generated by three distinct types of interaction in the velocity fields: a fourth order interaction between fluctuating velocities, an interaction between the first order mean shear and the third order velocity fluctuations, and an interaction between the second order mean shear rate and the second order fluctuating velocity. Measurements of one-dimensional power spectra of the turbulent static pressure fluctuations in the driven mixing layer of a subsonic, circular jet are presented, and the spectra are examined for evidence of spectral similarity. Spectral similarity is found for the low wavenumber range when the large scale flow on the centerline of the mixing layer is self-preserving. The data are also consistent with the existence of universal inertial subranges for the spectra of each interaction mode.

The application of n-γ discrimination in 252Cf spontaneous neutron TOF spectra measurement

International Nuclear Information System (INIS)

Zhou Haojun; Zhang Yi; Li Jiansheng; Jin Yu; Wang Jie; Li Chunyuan

2004-01-01

The BC501 scintillator is used as a fast neutron detector. The effect that the pulse rise time method was used to discriminate γ from 252 Cf spontaneous neutron TOF spectra is studied in the experiment. A pulse rise time separation spectra of γ and 252 Cf spontaneous neuron upon 1 MeV is obtained, the n-γ separation function reaches to 4.6. When the result of pulse rise time separation coincides with the time-of-flight spectra in which the neutron energy is upon 0.5 MeV, 0.8 MeV and 1.0 MeV, comparing with the anticoincidence, γ was eliminated 99.90% at least. (authors)

Determination of the optical absorption spectra of thin layers from their photoacoustic spectra

Science.gov (United States)

Bychto, Leszek; Maliński, Mirosław; Patryn, Aleksy; Tivanov, Mikhail; Gremenok, Valery

2018-05-01

This paper presents a new method for computations of the optical absorption coefficient spectra from the normalized photoacoustic amplitude spectra of thin semiconductor samples deposited on the optically transparent and thermally thick substrates. This method was tested on CuIn(Te0.7Se0.3)2 thin films. From the normalized photoacoustic amplitude spectra, the optical absorption coefficient spectra were computed with the new formula as also with the numerical iterative method. From these spectra, the value of the energy gap of the thin film material and the type of the optical transitions were determined. From the experimental optical transmission spectra, the optical absorption coefficient spectra were computed too, and compared with the optical absorption coefficient spectra obtained from photoacoustic spectra.

Analysis of low-intensity scintillation spectra

International Nuclear Information System (INIS)

Muravsky, V.; Tolstov, S.A.

2002-01-01

The maximum likelihood algorithms for nuclides activities estimation from low intensity scintillation γ-ray spectra have been created. The algorithms treat full energy peaks and Compton parts of spectra, and they are more effective than least squares estimators. The factors that could lead to the bias of activity estimates are taken into account. Theoretical analysis of the problem of choosing the optimal set of initial spectra for the spectrum model to minimize errors of the activities estimation has been carried out for the general case of the N-components with Gaussian or Poisson statistics. The obtained criterion allows to exclude superfluous initial spectra of nuclides from the model. A special calibration procedure for scintillation γ-spectrometers has been developed. This procedure is required for application of the maximum likelihood activity estimators processing all the channels of the scintillation γ-spectrum, including the Compton part. It allows one to take into account the influence of the sample mass density variation. The algorithm for testing the spectrum model adequacy to the processed scintillation spectrum has been developed. The algorithms are realized in Borland Pascal 7 as a library of procedures and functions. The developed library is compatible with Delphi 1.0 and higher versions. It can be used as the algorithmic basis for analysis of highly sensitive scintillation γ- and β-spectrometric devices. (author)

Pulse versus continuous peracetic acid applications: Effects on rainbow trout performance, biofilm formation and water quality

DEFF Research Database (Denmark)

Liu, Dibo; Straus, David L.; Pedersen, Lars-Flemming

2017-01-01

Peracetic acid (PAA) products are being introduced to aquaculture as sustainable disinfectants. Two strategies are used to apply PAA: high dose pulse applications, or low dose continuous application. In the present study, their impacts on fish health and water quality were investigated...... by ensuring better water quality....... in triplicate flow-through tanks stocked with rainbow trout. The gentler and shorter water cortisol increase measured along twice-per-week pulse applications of 1 mg L−1 PAA indicated a progressive adaptation of fish. In contrast, the continuous application of 0.2 mg L−1 PAA caused no stress to fish...

Determination of continuous complex refractive index dispersion of biotissue based on internal reflection

Science.gov (United States)

Deng, Zhichao; Wang, Jin; Ye, Qing; Sun, Tengqian; Zhou, Wenyuan; Mei, Jianchun; Zhang, Chunping; Tian, Jianguo

2016-01-01

The complex refractive index dispersion (CRID), which contains the information on the refractive index dispersion and extinction coefficient spectra, is an important optical parameter of biotissue. However, it is hard to perform the CRID measurement on biotissues due to their high scattering property. Continuous CRID measurement based on internal reflection (CCRIDM-IR) is introduced. By using a lab-made apparatus, internal reflectance spectra of biotissue samples at multiple incident angles were detected, from which the continuous CRIDs were calculated based on the Fresnel formula. Results showed that in 400- to 750-nm range, hemoglobin solution has complicated dispersion and extinction coefficient spectra, while other biotissues have normal dispersion properties, and their extinction coefficients do not vary much with different wavelengths. The normal dispersion can be accurately described by several coefficients of dispersion equations (Cauchy equation, Cornu equation, and Conrady equation). To our knowledge, this is the first time that the continuous CRID of scattering biotissue over a continuous spectral region is measured, and we hereby have proven that CCRIDM-IR is a good method for continuous CRID research of biotissue.

Studying the applicability of densities mixture unfolding for heavy ion jet spectra in the ALICE experiment

CERN Document Server

Hackstock, Philip

2016-01-01

The results of a three months summer project from July 4th 2016 to September 23rd are presented in this summer student report.\\\\ The method presented in the paper\\footnote{\\url{http://www.sciencedirect.com/science/article/pii/S0168900215000406}} on densities mixture unfolding by Nikolay Gagunashvili and its software implementation were studied. A mind map flowchart, plotting macros and documentation were produced and while an 18 fold performance boost trough parallelization could be achieved, the verdict on the applicability of this method for heavy ion jet spectra in the ALICE experiment remains inconclusive. This is mainly due to a lack of time and complexity of the method and its implementation.

Applications and real life spectra in the power generation industry

International Nuclear Information System (INIS)

Nix, K.J.; Lindley, T.C.

1988-12-01

Loading spectra encountered in various structures, machines, and components in the Power Generation Industry are presented from the viewpoint of fatigue analysis and structural integrity assessment. Although particular attention is paid to loading transients in turbo-generators, other items such as pressure vessels, pumped storage, nuclear plant pressure circuitry and wind turbines are also considered. (author)

Application impact analysis: a risk-based approach to business continuity and disaster recovery.

Science.gov (United States)

Epstein, Beth; Khan, Dawn Christine

2014-01-01

There are many possible disruptions that can occur in business. Overlooking or under planning for Business Continuity requires time, understanding and careful planning. Business Continuity Management is far more than producing a document and declaring business continuity success. What is the recipe for businesses to achieve continuity management success? Application Impact Analysis is a method for understanding the unique Business Attributes. This AIA Cycle involves a risk based approach to understanding the business priority and considering business aspects such as Financial, Operational, Service Structure, Contractual Legal, and Brand. The output of this analysis provides a construct for viewing data, evaluating impact, and delivering results, for an approved valuation of Recovery Time Objectives (RTO).

A parametric model to describe neutron spectra around high-energy electron accelerators and its application in neutron spectrometry with Bonner Spheres

Science.gov (United States)

Bedogni, Roberto; Pelliccioni, Maurizio; Esposito, Adolfo

2010-03-01

Due to the increased interest of the scientific community in the applications of synchrotron light, there is an increasing demand of high-energy electron facilities, testified by the construction of several new facilities worldwide. The radiation protection around such facilities requires accurate experimental methods to determine the dose due to prompt radiation fields. Neutron fields, in particular, are the most complex to measure, because they extend in energy from thermal (10 -8 MeV) up to hundreds MeV and because the responses of dosemeters and survey meters usually have large energy dependence. The Bonner Spheres Spectrometer (BSS) is in practice the only instrument able to respond over the whole energy range of interest, and for this reason it is frequently used to derive neutron spectra and dosimetric quantities in accelerator workplaces. Nevertheless, complex unfolding algorithms are needed to derive the neutron spectra from the experimental BSS data. This paper presents a parametric model specially developed for the unfolding of the experimental data measured with BSS around high-energy electron accelerators. The work consists of the following stages: (1) Generation with the FLUKA code, of a set of neutron spectra representing the radiation environment around accelerators with different electron energies; (2) formulation of a parametric model able to describe these spectra, with particular attention to the high-energy component (>10 MeV), which may be responsible for a large part of the dose in workplaces; and (3) implementation of this model in an existing unfolding code.

A parametric model to describe neutron spectra around high-energy electron accelerators and its application in neutron spectrometry with Bonner Spheres

International Nuclear Information System (INIS)

Bedogni, Roberto; Pelliccioni, Maurizio; Esposito, Adolfo

2010-01-01

Due to the increased interest of the scientific community in the applications of synchrotron light, there is an increasing demand of high-energy electron facilities, testified by the construction of several new facilities worldwide. The radiation protection around such facilities requires accurate experimental methods to determine the dose due to prompt radiation fields. Neutron fields, in particular, are the most complex to measure, because they extend in energy from thermal (10 -8 MeV) up to hundreds MeV and because the responses of dosemeters and survey meters usually have large energy dependence. The Bonner Spheres Spectrometer (BSS) is in practice the only instrument able to respond over the whole energy range of interest, and for this reason it is frequently used to derive neutron spectra and dosimetric quantities in accelerator workplaces. Nevertheless, complex unfolding algorithms are needed to derive the neutron spectra from the experimental BSS data. This paper presents a parametric model specially developed for the unfolding of the experimental data measured with BSS around high-energy electron accelerators. The work consists of the following stages: (1) Generation with the FLUKA code, of a set of neutron spectra representing the radiation environment around accelerators with different electron energies; (2) formulation of a parametric model able to describe these spectra, with particular attention to the high-energy component (>10 MeV), which may be responsible for a large part of the dose in workplaces; and (3) implementation of this model in an existing unfolding code.

Phylogenetic Applications of the Minimum Contradiction Approach on Continuous Characters

Directory of Open Access Journals (Sweden)

Marc Thuillard

2009-01-01

Full Text Available We describe the conditions under which a set of continuous variables or characters can be described as an X-tree or a split network. A distance matrix corresponds exactly to a split network or a valued X-tree if, after ordering of the taxa, the variables values can be embedded into a function with at most a local maximum and a local minimum, and crossing any horizontal line at most twice. In real applications, the order of the taxa best satisfying the above conditions can be obtained using the Minimum Contradiction method. This approach is applied to 2 sets of continuous characters. The first set corresponds to craniofacial landmarks in Hominids. The contradiction matrix is used to identify possible tree structures and some alternatives when they exist. We explain how to discover the main structuring characters in a tree. The second set consists of a sample of 100 galaxies. In that second example one shows how to discretize the continuous variables describing physical properties of the galaxies without disrupting the underlying tree structure.

Nonperturbative quantum simulation of time-resolved nonlinear spectra: Methodology and application to electron transfer reactions in the condensed phase

International Nuclear Information System (INIS)

Wang Haobin; Thoss, Michael

2008-01-01

A quantum dynamical method is presented to accurately simulate time-resolved nonlinear spectra for complex molecular systems. The method combines the nonpertubative approach to describe nonlinear optical signals with the multilayer multiconfiguration time-dependent Hartree theory to calculate the laser-induced polarization for the overall field-matter system. A specific nonlinear optical signal is obtained by Fourier decomposition of the overall polarization. The performance of the method is demonstrated by applications to photoinduced ultrafast electron transfer reactions in mixed-valence compounds and at dye-semiconductor interfaces

PEPSI deep spectra. I. The Sun-as-a-star

Science.gov (United States)

Strassmeier, K. G.; Ilyin, I.; Steffen, M.

2018-04-01

Context. Full-disk solar flux spectra can be directly compared to stellar spectra and thereby serve as our most important reference source for, for example stellar chemical abundances, magnetic activity phenomena, radial-velocity signatures or global pulsations. Aim. As part of the first Potsdam Echelle Polarimetric and Spectroscopic Instrument (PEPSI) key-science project, we aim to provide well-exposed and average-combined (viz. deep) high-resolution spectra of representative stellar targets. Such deep spectra contain an overwhelming amount of information, typically much more than what could be analyzed and discussed within a single publication. Therefore, these spectra will be made available in form of (electronic) atlases. The first star in this series of papers is our Sun. It also acts as a system-performance cornerstone. Methods: The Sun was monitored with PEPSI at the Large Binocular Telescope (LBT). Instead of the LBT we used a small robotic solar disk integration (SDI) telescope. The deep spectra in this paper are the results of combining up to ≈100 consecutive exposures per wavelength setting and are compared with other solar flux atlases. Results: Our software for the optimal data extraction and reduction of PEPSI spectra is described and verified with the solar data. Three deep solar flux spectra with a spectral resolution of up to 270 000, a continuous wavelength coverage from 383 nm to 914 nm, and a photon signal to noise ratio (S/N) of between 2000-8000:1 depending on wavelength are presented. Additionally, a time-series of 996 high-cadence spectra in one cross disperser is used to search for intrinsic solar modulations. The wavelength calibration based on Th-Ar exposures and simultaneous Fabry-Pérot combs enables an absolute wavelength solution within 10 m s-1 (rms) with respect to the HARPS laser-comb solar atlas and a relative rms of 1.2 m s-1 for one day. For science demonstration, we redetermined the disk-average solar Li abundance to 1.09 �

Identification of nickel-vacancy defects by combining experimental and ab initio simulated photocurrent spectra

Science.gov (United States)

Londero, E.; Bourgeois, E.; Nesladek, M.; Gali, A.

2018-06-01

There is a continuous search for solid state spin qubits operating at room temperature with excitation in the infrared communication bandwidth. Recently, we have introduced the photoelectric detection of magnetic resonance (PDMR) to read the electron spin state of nitrogen-vacancy (NV) centers in diamond, a technique which is promising for applications in quantum information technology. By measuring the photoionization spectra on a diamond crystal, we found two ionization thresholds of unknown origin. On the same sample we also observed absorption and photoluminescence signatures that were identified in the literature as Ni-associated defects. We performed ab initio calculations of the photoionization cross section of the nickel split-vacancy complex (NiV) and N-related defects in their relevant charge states and fitted the concentration of these defects to the measured photocurrent spectrum, which led to a surprising match between experimental and calculated spectra. This study enabled us to identify the two unknown ionization thresholds with the two acceptor levels of NiV. Because the excitation of NiV is in the infrared, the photocurrent detected from the paramagnetic NiV color centers is a promising way towards the design of electrically readout qubits.

Sensitivity of NMR spectra properties to different inversion algorithms. Abstract 97

International Nuclear Information System (INIS)

Bryan, J.; Wang, G.; Vargas, S.; Kantzas, A.

2004-01-01

'Full text:' Low field NMR technology has many applications in the petroleum industry. NMR spectra obtained from logging tools or laboratory instruments can be used to provide an incredible wealth of useful information for formation evaluation and reservoir fluid characterization purposes. In recent years, research performed at the University of Calgary has been instrumental in developing this technology for heavy oil and bitumen related problems. Specifically, low field NMR has been used in several niche applications: in-situ viscosity estimates of heavy oil and bitumen, water-in-oil emulsion and solvent-bitumen mixture viscosity, water cut in produced fluid streams, and oil-water-solids content in oil sands mining samples. The majority of all NMR analyses are based on the interpretation of NMR spectra. These spectra are inverted numerically from the measured NMR decay data. The mathematics of the inversion is generally assumed to be correct, and the analyses revolve around interpretations of how the spectra relate to physical properties of the samples. However, when measuring high viscosity fluids or clay-bound water, the NMR signal relaxes very quickly and it becomes extremely important to ensure that the spectrum obtained is accurate before relating its properties to physics. This work investigates the effect of different inversion algorithms on the generated spectra, and attempts to quantify the magnitude of the errors that can be associated with the mathematics of inversion. This leads to a better understanding of the accuracy of NMR estimates of rock and fluid properties. (author)

Continuous Integration for Concurrent MOOSE Framework and Application Development on GitHub

Directory of Open Access Journals (Sweden)

Andrew E. Slaughter

2015-11-01

Full Text Available For the past several years, Idaho National Laboratory’s MOOSE framework team has employed modern software engineering techniques (continuous integration, joint application/framework source code repos- itories, automated regression testing, etc. in developing closed-source multiphysics simulation software (Gaston et al., 'Journal of Open Research Software' vol. 2, article e10, 2014. In March 2014, the MOOSE framework was released under an open source license on GitHub, significantly expanding and diversifying the pool of current active and potential future contributors on the project. Despite this recent growth, the same philosophy of concurrent framework and application development continues to guide the project’s development roadmap. Several specific practices, including techniques for managing multiple repositories, conducting automated regression testing, and implementing a cascading build process are discussed in this short paper. Special attention is given to describing the manner in which these practices naturally synergize with the GitHub API and GitHub-specific features such as issue tracking, Pull Requests, and project forks.

MetaUniDec: High-Throughput Deconvolution of Native Mass Spectra

Science.gov (United States)

Reid, Deseree J.; Diesing, Jessica M.; Miller, Matthew A.; Perry, Scott M.; Wales, Jessica A.; Montfort, William R.; Marty, Michael T.

2018-04-01

The expansion of native mass spectrometry (MS) methods for both academic and industrial applications has created a substantial need for analysis of large native MS datasets. Existing software tools are poorly suited for high-throughput deconvolution of native electrospray mass spectra from intact proteins and protein complexes. The UniDec Bayesian deconvolution algorithm is uniquely well suited for high-throughput analysis due to its speed and robustness but was previously tailored towards individual spectra. Here, we optimized UniDec for deconvolution, analysis, and visualization of large data sets. This new module, MetaUniDec, centers around a hierarchical data format 5 (HDF5) format for storing datasets that significantly improves speed, portability, and file size. It also includes code optimizations to improve speed and a new graphical user interface for visualization, interaction, and analysis of data. To demonstrate the utility of MetaUniDec, we applied the software to analyze automated collision voltage ramps with a small bacterial heme protein and large lipoprotein nanodiscs. Upon increasing collisional activation, bacterial heme-nitric oxide/oxygen binding (H-NOX) protein shows a discrete loss of bound heme, and nanodiscs show a continuous loss of lipids and charge. By using MetaUniDec to track changes in peak area or mass as a function of collision voltage, we explore the energetic profile of collisional activation in an ultra-high mass range Orbitrap mass spectrometer. [Figure not available: see fulltext.

Analysis of aggregate optical spectra using moments. Application to the purple membrane of halobacterium halobium

International Nuclear Information System (INIS)

Hemenger, R.P.

1978-01-01

The problem of extracting structural information from the optical spectra of aggregates of molecules interacting through their electronic transitions is studied. One serious difficulty common to all approaches to this problem is that of properly taking into account the effects of molecular vibrations. A series of exact relations derived previously which are correct with regard to molecular vibrations provide a number of independent, explicit connections between aggregate geometrical parameters and moments of experimental spectra. It is shown that, by applying these moment relations to the optical absorption and circular dichroism spectra of simple aggregates, a complete set of equations can be found, i.e., enough equations can be found to solve for all of the geometrical parameters which enter into the expressions for absorption and circular dichroism spectra. This procedure is applied in some detail to the purple membrane of Halobacterium halobium. The results are completely consistent with what is known about its structure

Analysis of the experimental positron lifetime spectra by neural networks

International Nuclear Information System (INIS)

Avdic, S.; Chakarova, R.; Pazsit, I.

2003-01-01

This paper deals with the analysis of experimental positron lifetime spectra in polymer materials by using various algorithms of neural networks. A method based on the use of artificial neural networks for unfolding the mean lifetime and intensity of the spectral components of simulated positron lifetime spectra was previously suggested and tested on simulated data [Pazsit et al., Applied Surface Science, 149 (1998), 97]. In this work, the applicability of the method to the analysis of experimental positron spectra has been verified in the case of spectra from polymer materials with three components. It has been demonstrated that the backpropagation neural network can determine the spectral parameters with a high accuracy and perform the decomposition of lifetimes which differ by 10% or more. The backpropagation network has not been suitable for the identification of both the parameters and the number of spectral components. Therefore, a separate artificial neural network module has been designed to solve the classification problem. Module types based on self-organizing map and learning vector quantization algorithms have been tested. The learning vector quantization algorithm was found to have better performance and reliability. A complete artificial neural network analysis tool of positron lifetime spectra has been constructed to include a spectra classification module and parameter evaluation modules for spectra with a different number of components. In this way, both flexibility and high resolution can be achieved. (author)

Good abundances from bad spectra - I. Techniques

Science.gov (United States)

Jones, J. Bryn; Gilmore, Gerard; Wyse, Rosemary F. G.

1996-01-01

Stellar spectra derived from multiple-object fibre-fed spectroscopic radial-velocity surveys, of the type feasible with, among other examples, AUTOFIB, 2dF, HYDRA, NESSIE, and the Sloan survey, differ significantly from those traditionally used for determination of stellar abundances. The spectra tend to be of moderate resolution (around 1A) and signal-to-noise ratio (around 10-20 per resolution element), and cannot usually have reliable continuum shapes determined over wavelength ranges in excess of a few tens of Angstroms. None the less, with care and a calibration of stellar effective temperature from photometry, independent of the spectroscopy, reliable iron abundances can be derived. We have developed techniques to extract true iron abundances and surface gravities from low-signal-to-noise ratio, intermediate-resolution spectra of G-type stars in the 4000-5000A wavelength region. Spectroscopic indices sensitive to iron abundance and gravity are defined from a set of narrow (few-several A wide) wavelength intervals. The indices are calibrated theoretically using synthetic spectra. Given adequate data and a photometrically determined effective temperature, one can derive estimates of the stellar iron abundance and surface gravity. We have also defined a single abundance indicator for the analysis of very low-signal-to-noise ratio spectra; with the further assumption of a value for the stellar surface gravity, this is able to provide useful iron abundance information from spectra having signal-to-noise ratios as low as 10 (1-A elements). The theoretical basis and calibration using synthetic spectra are described in this paper. The empirical calibration of these techniques by application to observational data is described in a separate paper (Jones, Wyse & Gilmore). The technique provides precise iron abundances, with zero-point correct to ~0.1 dex, and is reliable, with typical uncertainties being <~0.2 dex. A derivation of the in situ thick disc metallicity

Behavior of lambda 2800 Mg II in stellar spectra

International Nuclear Information System (INIS)

Gurzadyan, G.A.

1975-01-01

The results of measurements of the equivalent widths of the resonance doublet of ionized magnesium lambda 2800 Mg II in the spectra of 51 relatively faint stars, up to 10/sup m/, of the spectral classes B1-K5 are presented. The observed material has been obtained by means of the space observatory ''Orion-2''. Some regularities in the behavior of lambda 2800 Mg II in stellar spectra have been revealed: wide and deep depression of the continuous spectra at 2800 A in F-G type stars; the presence of the doublet lambda 2800 Mg II in the form of weak emission in the spectra of cold stars (K2-K5); the presence both of the multiplet lambda 3080 Ti II and the doublet lambda 2800 Mg II simultaneously either in emission--in the late-type stars--or in absorption in earlier types; the existence of combined profiles of lambda 2800 Mg II, i.e., a wide absorption line with a weak emission in the center, in stars of the transitional class (G5-K0), etc. A well-defined empirical relationship between the equivalent width of lambda 2800 Mg II and the spectral class of the star has been established (Fig. 8). (U.S.)

Impulsive synchronization for Takagi-Sugeno fuzzy model and its application to continuous chaotic system

International Nuclear Information System (INIS)

Wang Yanwu; Guan Zhihong; Wang, Hua O.

2005-01-01

Recently, chaos synchronization based on T-S fuzzy model has attracted much attention because of the applicability in the case of uncertainty. In the fuzzy control scheme, linear and adaptive control methods have been introduced to solve the control problem. In this Letter, an impulsive synchronization scheme for T-S fuzzy model is developed. The proposed impulsive control scheme seems to have a simple control structure and may need less control energy than the normal continuous ones for the synchronization of T-S fuzzy system. Sufficient conditions for the impulsive synchronization are derived. The method is illustrated by applications to continuous chaotic systems and the simulation results demonstrate the effectiveness of the proposed control method

Application of bounding spectra to seismic design of piping based on the performance of above ground piping in power plants subjected to strong motion earthquakes

International Nuclear Information System (INIS)

Stevenson, J.D.

1995-02-01

This report extends the potential application of Bounding Spectra evaluation procedures, developed as part of the A-46 Unresolved Safety Issue applicable to seismic verification of in-situ electrical and mechanical equipment, to in-situ safety related piping in nuclear power plants. The report presents a summary of earthquake experience data which define the behavior of typical U.S. power plant piping subject to strong motion earthquakes. The report defines those piping system caveats which would assure the seismic adequacy of the piping systems which meet those caveats and whose seismic demand are within the bounding spectra input. Based on the observed behavior of piping in strong motion earthquakes, the report describes the capabilities of the piping system to carry seismic loads as a function of the type of connection (i.e. threaded versus welded). This report also discusses in some detail the basic causes and mechanisms for earthquake damages and failures to power plant piping systems

Reflectance variability of surface coatings reveals characteristic eigenvalue spectra

Science.gov (United States)

Medina, José M.; Díaz, José A.; Barros, Rui

2012-10-01

We have examined the trial-to-trial variability of the reflectance spectra of surface coatings containing effect pigments. Principal component analysis of reflectances was done at each detection angle separately. A method for classification of principal components is applied based on the eigenvalue spectra. It was found that the eigenvalue spectra follow characteristic power laws and depend on the detection angle. Three different subsets of principal components were examined to separate the relevant spectral features related to the pigments from other noise sources. Reconstruction of the reflectance spectra by taking only the first subset indicated that reflectance variability was higher at near-specular reflection, suggesting a correlation with the trial-to-trial deposition of effect pigments. Reconstruction by using the second subset indicates that variability was higher at short wavelengths. Finally, reconstruction by using only the third subset indicates that reflectance variability was not totally random as a function of the wavelength. The methods employed can be useful in the evaluation of color variability in industrial paint application processes.

Application of class-modelling techniques to infrared spectra for analysis of pork adulteration in beef jerkys.

Science.gov (United States)

Kuswandi, Bambang; Putri, Fitra Karima; Gani, Agus Abdul; Ahmad, Musa

2015-12-01

The use of chemometrics to analyse infrared spectra to predict pork adulteration in the beef jerky (dendeng) was explored. In the first step, the analysis of pork in the beef jerky formulation was conducted by blending the beef jerky with pork at 5-80 % levels. Then, they were powdered and classified into training set and test set. The second step, the spectra of the two sets was recorded by Fourier Transform Infrared (FTIR) spectroscopy using atenuated total reflection (ATR) cell on the basis of spectral data at frequency region 4000-700 cm(-1). The spectra was categorised into four data sets, i.e. (a) spectra in the whole region as data set 1; (b) spectra in the fingerprint region (1500-600 cm(-1)) as data set 2; (c) spectra in the whole region with treatment as data set 3; and (d) spectra in the fingerprint region with treatment as data set 4. The third step, the chemometric analysis were employed using three class-modelling techniques (i.e. LDA, SIMCA, and SVM) toward the data sets. Finally, the best result of the models towards the data sets on the adulteration analysis of the samples were selected and the best model was compared with the ELISA method. From the chemometric results, the LDA model on the data set 1 was found to be the best model, since it could classify and predict 100 % accuracy of the sample tested. The LDA model was applied toward the real samples of the beef jerky marketed in Jember, and the results showed that the LDA model developed was in good agreement with the ELISA method.

Random operators disorder effects on quantum spectra and dynamics

CERN Document Server

Aizenman, Michael

2015-01-01

This book provides an introduction to the mathematical theory of disorder effects on quantum spectra and dynamics. Topics covered range from the basic theory of spectra and dynamics of self-adjoint operators through Anderson localization-presented here via the fractional moment method, up to recent results on resonant delocalization. The subject's multifaceted presentation is organized into seventeen chapters, each focused on either a specific mathematical topic or on a demonstration of the theory's relevance to physics, e.g., its implications for the quantum Hall effect. The mathematical chapters include general relations of quantum spectra and dynamics, ergodicity and its implications, methods for establishing spectral and dynamical localization regimes, applications and properties of the Green function, its relation to the eigenfunction correlator, fractional moments of Herglotz-Pick functions, the phase diagram for tree graph operators, resonant delocalization, the spectral statistics conjecture, and rela...

Theory and application of the RAZOR two-dimensional continuous energy lattice physics code

International Nuclear Information System (INIS)

Zerkle, M.L.; Abu-Shumays, I.K.; Ott, M.W.; Winwood, J.P.

1997-01-01

The theory and application of the RAZOR two-dimensional, continuous energy lattice physics code are discussed. RAZOR solves the continuous energy neutron transport equation in one- and two-dimensional geometries, and calculates equivalent few-group diffusion theory constants that rigorously account for spatial and spectral self-shielding effects. A dual energy resolution slowing down algorithm is used to reduce computer memory and disk storage requirements for the slowing down calculation. Results are presented for a 2D BWR pin cell depletion benchmark problem

Completely continuous and weakly completely continuous abstract ...

Indian Academy of Sciences (India)

An algebra A is called right completely continuous (right weakly completely continuous) ... Moreover, some applications of these results in group algebras are .... A linear subspace S(G) of L1(G) is said to be a Segal algebra, if it satisfies the.

Computation of cosmic radiation spectra and application to aircrew dosimetry

International Nuclear Information System (INIS)

Yoo, Song Jae

2002-02-01

Using the Monte Carlo radiation transport code FLUKA- 99, secondary cosmic radiation energy spectra and intensities of neutrons, protons, photons, electrons, and muons were calculated for different geographical latitude and longitude at the commercial jet's altitudes ranging from 27000 ft to 41000 ft. The Badhwar's proton model was used to construct the primary cosmic radiation spectrum and effect of the vertical cutoff rigidity was considered after spectra similar to those given in literature were resulted. By applying the effective dose conversion factors, a calculation tool for aircrew doses was developed. According to the resulting dose rate distribution, effective dose rate over North pole region is around three times of that over equator region due to the geomagnetical shielding effect. Illustrative assessments of aircrew doses were made for four distinctive routes of Korean airliners : Seoul - New York (USA), London (UK), Sydney (Australia) and Mumbai(India). The effective doses to aircrew incurred from a round trip were 0.047, 0.055, 0.018, and 0.018μSv, respectively. If aircrew work 500 hour s a year at the cruise altitude of a international airline, the individual dose would reach 2 mSv which is about the same size as the average annual dose of workers at a nuclear power plant

Measurement and interpretation of plutonium spectra

International Nuclear Information System (INIS)

Blaise, J.; Fred, M.S.; Carnall, W.T.; Crosswhite, H.M.; Crosswhite, H.

1982-01-01

The atomic spectroscopic data available for plutonium are among the rickest of any in the periodic system. They include high-resolution grating and Fourier-transform spectra as well as extensive Zeeman and isotope-shift studies. We summarize the present status of the term analysis and cite the configurations that have been identified. A least-squares adjustment of a parametric Hamiltonian for configurations of both Pu I and Pu II has shown that almost all of the expected low levels are now known. The use of a model Hamiltonian applicable to both lanthanide and actinide atomic species has been applied to the low configurations of Pu I and Pu II making use of trends predicted by ab initio calculations. This same model has been used to describe the energy levels of Pu 3+ in LaCl 3 , and an extension has permitted preliminary calculations of the spectra of other valence states

Multiscale climate emulator of multimodal wave spectra: MUSCLE-spectra

Science.gov (United States)

Rueda, Ana; Hegermiller, Christie A.; Antolinez, Jose A. A.; Camus, Paula; Vitousek, Sean; Ruggiero, Peter; Barnard, Patrick L.; Erikson, Li H.; Tomás, Antonio; Mendez, Fernando J.

2017-02-01

Characterization of multimodal directional wave spectra is important for many offshore and coastal applications, such as marine forecasting, coastal hazard assessment, and design of offshore wave energy farms and coastal structures. However, the multivariate and multiscale nature of wave climate variability makes this complex problem tractable using computationally expensive numerical models. So far, the skill of statistical-downscaling model-based parametric (unimodal) wave conditions is limited in large ocean basins such as the Pacific. The recent availability of long-term directional spectral data from buoys and wave hindcast models allows for development of stochastic models that include multimodal sea-state parameters. This work introduces a statistical downscaling framework based on weather types to predict multimodal wave spectra (e.g., significant wave height, mean wave period, and mean wave direction from different storm systems, including sea and swells) from large-scale atmospheric pressure fields. For each weather type, variables of interest are modeled using the categorical distribution for the sea-state type, the Generalized Extreme Value (GEV) distribution for wave height and wave period, a multivariate Gaussian copula for the interdependence between variables, and a Markov chain model for the chronology of daily weather types. We apply the model to the southern California coast, where local seas and swells from both the Northern and Southern Hemispheres contribute to the multimodal wave spectrum. This work allows attribution of particular extreme multimodal wave events to specific atmospheric conditions, expanding knowledge of time-dependent, climate-driven offshore and coastal sea-state conditions that have a significant influence on local nearshore processes, coastal morphology, and flood hazards.

Application of the generalized multi structural (GMS) wave function to photoelectron spectra and electron scattering processes

International Nuclear Information System (INIS)

Nascimento, M.A.C. do

1992-01-01

A Generalized Multi Structural (GMS) wave function is presented which combines the advantages of the SCF-MO and VB models, preserving the classical chemical structures but optimizing the orbitals in a self-consistent way. This wave function is particularly suitable to treat situations where the description of the molecular state requires localized wave functions. It also provides a very convenient way of treating the electron correlation problem, avoiding large CI expansions. The final wave functions are much more compact and easier to interpret than the ones obtained by the conventional methods, using orthogonal orbitals. Applications of the GMS wave function to the study of the photoelectron spectra of the trans-glyoxal molecule and to electron impact excitation processes in the nitrogen molecule are presented as an illustration of the method. (author)

ASERA: A spectrum eye recognition assistant for quasar spectra

Science.gov (United States)

Yuan, Hailong; Zhang, Haotong; Zhang, Yanxia; Lei, Yajuan; Dong, Yiqiao; Zhao, Yongheng

2013-11-01

Spectral type recognition is an important and fundamental step of large sky survey projects in the data reduction for further scientific research, like parameter measurement and statistic work. It tends out to be a huge job to manually inspect the low quality spectra produced from the massive spectroscopic survey, where the automatic pipeline may not provide confident type classification results. In order to improve the efficiency and effectiveness of spectral classification, we develop a semi-automated toolkit named ASERA, ASpectrum Eye Recognition Assistant. The main purpose of ASERA is to help the user in quasar spectral recognition and redshift measurement. Furthermore it can also be used to recognize various types of spectra of stars, galaxies and AGNs (Active Galactic Nucleus). It is an interactive software allowing the user to visualize observed spectra, superimpose template spectra from the Sloan Digital Sky Survey (SDSS), and interactively access related spectral line information. It is an efficient and user-friendly toolkit for the accurate classification of spectra observed by LAMOST (the Large Sky Area Multi-object Fiber Spectroscopic Telescope). The toolkit is available in two modes: a Java standalone application and a Java applet. ASERA has a few functions, such as wavelength and flux scale setting, zoom in and out, redshift estimation, spectral line identification, which helps user to improve the spectral classification accuracy especially for low quality spectra and reduce the labor of eyeball check. The function and performance of this tool is displayed through the recognition of several quasar spectra and a late type stellar spectrum from the LAMOST Pilot survey. Its future expansion capabilities are discussed.

Classification of ion mobility spectra by functional groups using neural networks

Science.gov (United States)

Bell, S.; Nazarov, E.; Wang, Y. F.; Eiceman, G. A.

1999-01-01

Neural networks were trained using whole ion mobility spectra from a standardized database of 3137 spectra for 204 chemicals at various concentrations. Performance of the network was measured by the success of classification into ten chemical classes. Eleven stages for evaluation of spectra and of spectral pre-processing were employed and minimums established for response thresholds and spectral purity. After optimization of the database, network, and pre-processing routines, the fraction of successful classifications by functional group was 0.91 throughout a range of concentrations. Network classification relied on a combination of features, including drift times, number of peaks, relative intensities, and other factors apparently including peak shape. The network was opportunistic, exploiting different features within different chemical classes. Application of neural networks in a two-tier design where chemicals were first identified by class and then individually eliminated all but one false positive out of 161 test spectra. These findings establish that ion mobility spectra, even with low resolution instrumentation, contain sufficient detail to permit the development of automated identification systems.

The analysis of the gamma-ray pulseheight spectra resulting from the NaI detector

International Nuclear Information System (INIS)

Huang Zhengde; Zhang Guishan; Chen Qun; Cao Zhong

1990-01-01

The analysis of the Gamma-ray pulse-height spectra resulting from NaI detector is described by using weighted least square iteration. The computer program has the function of searching for Gamma-ray peak automatically. It can be used in the analysis of continuous, discrete or their superposition spectra. Besides, there are some function of the spectrum smooth,the correction of the shift in gain and zero energy channel intercept. Some results of the computer program are presented

[Local application of bFGF and sucralfate during continuous tissue expansion].

Science.gov (United States)

Hu, Ya-lan; Guo, Shu-zhong; Lu, Kai-hua; Han, Yan; Lei, Yong-hong; Song, Bao-qiang; Pan, Yong

2003-01-01

To investigate the effect of local application of bFGF and sucralfate during continuous tissue expansion (CTE). CTE combined with local administration of bFGF and sucralfate was used in twelve patients with scar and nasal tip defects. Twenty three expanders were placed in the subcutaneous pockets through intralesion short incisions. Continuous expansion began at 1-3 days after expander implantation. The histomorphological changes and epidermal cell proliferation were observed. The clinical results were investigated. The average inflation time was 8.9 days. The average interval of the two operations was 13.5 days. The average hospitalization was 28.4 days. The average immediate stretch-back rate of the expanded skin was 25.7%. The clinical results were satisfactory without any complications. Histological examinations showed that the epidermal, granular and spinous layer became thicker. The basal cells increased significantly. The dermis thinned slightly and the collagen fibers became thicker. The elastic fiber regenerated significantly. Fibroblast and capillary density increased obviously. The immunohistochemistry analysis showed that the proliferation of epidemic basal cells was significant postoperatively. Local application of exogenous bFGF and sucralfate during CTE was feasible in patients. It could accelerate tissue expansion and improve the quality of expanded skin flap.

Energy spectra of primary knock-on atoms under neutron irradiation

International Nuclear Information System (INIS)

Gilbert, M.R.; Marian, J.; Sublet, J.-Ch.

2015-01-01

Materials subjected to neutron irradiation will suffer from a build-up of damage caused by the displacement cascades initiated by nuclear reactions. Previously, the main “measure” of this damage accumulation has been through the displacements per atom (dpa) index, which has known limitations. This paper describes a rigorous methodology to calculate the primary atomic recoil events (often called the primary knock-on atoms or PKAs) that lead to cascade damage events as a function of energy and recoiling species. A new processing code SPECTRA-PKA combines a neutron irradiation spectrum with nuclear recoil data obtained from the latest nuclear data libraries to produce PKA spectra for any material composition. Via examples of fusion relevant materials, it is shown that these PKA spectra can be complex, involving many different recoiling species, potentially differing in both proton and neutron number from the original target nuclei, including high energy recoils of light emitted particles such as α-particles and protons. The variations in PKA spectra as a function of time, neutron field, and material are explored. The application of PKA spectra to the quantification of radiation damage is exemplified using two approaches: the binary collision approximation and stochastic cluster dynamics, and the results from these different models are discussed and compared. - Highlights: • Recoil cross-section matrices under neutron irradiation are generated. • Primary knock-on atoms (PKA) spectra are calculated for fusion relevant materials. • Variation in PKA spectra due to changes in geometry are considered. • Inventory simulations to consider time-evolution in PKA spectra. • Damage quantification using damage functions from different approximations.

The criteria for selecting a method for unfolding neutron spectra based on the information entropy theory

International Nuclear Information System (INIS)

Zhu, Qingjun; Song, Fengquan; Ren, Jie; Chen, Xueyong; Zhou, Bin

2014-01-01

To further expand the application of an artificial neural network in the field of neutron spectrometry, the criteria for choosing between an artificial neural network and the maximum entropy method for the purpose of unfolding neutron spectra was presented. The counts of the Bonner spheres for IAEA neutron spectra were used as a database, and the artificial neural network and the maximum entropy method were used to unfold neutron spectra; the mean squares of the spectra were defined as the differences between the desired and unfolded spectra. After the information entropy of each spectrum was calculated using information entropy theory, the relationship between the mean squares of the spectra and the information entropy was acquired. Useful information from the information entropy guided the selection of unfolding methods. Due to the importance of the information entropy, the method for predicting the information entropy using the Bonner spheres' counts was established. The criteria based on the information entropy theory can be used to choose between the artificial neural network and the maximum entropy method unfolding methods. The application of an artificial neural network to unfold neutron spectra was expanded. - Highlights: • Two neutron spectra unfolding methods, ANN and MEM, were compared. • The spectrum's entropy offers useful information for selecting unfolding methods. • For the spectrum with low entropy, the ANN was generally better than MEM. • The spectrum's entropy was predicted based on the Bonner spheres' counts

[The NIR spectra based variety discrimination for single soybean seed].

Science.gov (United States)

Zhu, Da-Zhou; Wang, Kun; Zhou, Guang-Hua; Hou, Rui-Feng; Wang, Cheng

2010-12-01

With the development of soybean producing and processing, the quality breeding becomes more and more important for soybean breeders. Traditional sampling detection methods for soybean quality need to destroy the seed, and does not satisfy the requirement of earlier generation materials sieving for breeding. Near infrared (NIR) spectroscopy has been widely used for soybean quality detection. However, all these applications were referred to mass samples, and they were not suitable for little or single seed detection in breeding procedure. In the present study, the acousto--optic tunable filter (AOTF) NIR spectroscopy was used to measure the single soybean seed. Two varieties of soybean were measured, which contained 60 KENJIANDOU43 seeds and 60 ZHONGHUANG13 seeds. The results showed that NIR spectra combined with soft independent modeling of class analogy (SIMCA) could accurately discriminate the soybean varieties. The classification accuracy for KENJIANDOU43 seeds and ZHONGHUANG13 was 100%. The spectra of single soybean seed were measured at different positions, and it showed that the seed shape has significant influence on the measurement of spectra, therefore, the key point for single seed measurement was how to accurately acquire the spectra and keep their representativeness. The spectra for soybeans with glossy surface had high repeatability, while the spectra of seeds with external defects had significant difference for several measurements. For the fast sieving of earlier generation materials in breeding, one could firstly eliminate the seeds with external defects, then apply NIR spectra for internal quality detection, and in this way the influence of seed shape and external defects could be reduced.

Consultants' meeting on prompt fission neutron spectra of major actinides. Summary report

International Nuclear Information System (INIS)

Capote Noy, R.; Maslov, V.; Bauge, E.; Ohsawa, T.; Vorobyev, A.; Chadwick, M.B.; Oberstedt, S.

2009-01-01

A Consultants' Meeting on 'Prompt Fission Neutron Spectra of Major Actinides' was held at IAEA Headquarters, Vienna, Austria, to discuss the adequacy and quality of the recommended prompt fission neutron spectra to be found in existing nuclear data applications libraries. These prompt fission neutron spectra were judged to be inadequate, and this problem has proved difficult to resolve by means of theoretical modelling. Major adjustments may be required to ensure the validity of such important data. There is a strong requirement for an international effort to explore and resolve these difficulties and recommend prompt fission neutron spectra and uncertainty covariance matrices for the actinides over the neutron energy range from thermal to 20 MeV. Participants also stressed that there would be a strong need for validation of the resulting data against integral critical assembly and dosimetry data. (author)

Method for the deconvolution of incompletely resolved CARS spectra in chemical dynamics experiments

International Nuclear Information System (INIS)

Anda, A.A.; Phillips, D.L.; Valentini, J.J.

1986-01-01

We describe a method for deconvoluting incompletely resolved CARS spectra to obtain quantum state population distributions. No particular form for the rotational and vibrational state distribution is assumed, the population of each quantum state is treated as an independent quantity. This method of analysis differs from previously developed approaches for the deconvolution of CARS spectra, all of which assume that the population distribution is Boltzmann, and thus are limited to the analysis of CARS spectra taken under conditions of thermal equilibrium. The method of analysis reported here has been developed to deconvolute CARS spectra of photofragments and chemical reaction products obtained in chemical dynamics experiments under nonequilibrium conditions. The deconvolution procedure has been incorporated into a computer code. The application of that code to the deconvolution of CARS spectra obtained for samples at thermal equilibrium and not at thermal equilibrium is reported. The method is accurate and computationally efficient

Automated generation and ensemble-learned matching of X-ray absorption spectra

Science.gov (United States)

Zheng, Chen; Mathew, Kiran; Chen, Chi; Chen, Yiming; Tang, Hanmei; Dozier, Alan; Kas, Joshua J.; Vila, Fernando D.; Rehr, John J.; Piper, Louis F. J.; Persson, Kristin A.; Ong, Shyue Ping

2018-03-01

X-ray absorption spectroscopy (XAS) is a widely used materials characterization technique to determine oxidation states, coordination environment, and other local atomic structure information. Analysis of XAS relies on comparison of measured spectra to reliable reference spectra. However, existing databases of XAS spectra are highly limited both in terms of the number of reference spectra available as well as the breadth of chemistry coverage. In this work, we report the development of XASdb, a large database of computed reference XAS, and an Ensemble-Learned Spectra IdEntification (ELSIE) algorithm for the matching of spectra. XASdb currently hosts more than 800,000 K-edge X-ray absorption near-edge spectra (XANES) for over 40,000 materials from the open-science Materials Project database. We discuss a high-throughput automation framework for FEFF calculations, built on robust, rigorously benchmarked parameters. FEFF is a computer program uses a real-space Green's function approach to calculate X-ray absorption spectra. We will demonstrate that the ELSIE algorithm, which combines 33 weak "learners" comprising a set of preprocessing steps and a similarity metric, can achieve up to 84.2% accuracy in identifying the correct oxidation state and coordination environment of a test set of 19 K-edge XANES spectra encompassing a diverse range of chemistries and crystal structures. The XASdb with the ELSIE algorithm has been integrated into a web application in the Materials Project, providing an important new public resource for the analysis of XAS to all materials researchers. Finally, the ELSIE algorithm itself has been made available as part of veidt, an open source machine-learning library for materials science.

An introduction to continuous-time stochastic processes theory, models, and applications to finance, biology, and medicine

CERN Document Server

Capasso, Vincenzo

2015-01-01

This textbook, now in its third edition, offers a rigorous and self-contained introduction to the theory of continuous-time stochastic processes, stochastic integrals, and stochastic differential equations. Expertly balancing theory and applications, the work features concrete examples of modeling real-world problems from biology, medicine, industrial applications, finance, and insurance using stochastic methods. No previous knowledge of stochastic processes is required. Key topics include: * Markov processes * Stochastic differential equations * Arbitrage-free markets and financial derivatives * Insurance risk * Population dynamics, and epidemics * Agent-based models New to the Third Edition: * Infinitely divisible distributions * Random measures * Levy processes * Fractional Brownian motion * Ergodic theory * Karhunen-Loeve expansion * Additional applications * Additional  exercises * Smoluchowski  approximation of  Langevin systems An Introduction to Continuous-Time Stochastic Processes, Third Editio...

A catalogue of photon spectra inside water or lung phantoms

International Nuclear Information System (INIS)

Petoussi, N.; Zankl, M.; Panzer, W.; Drexler, G.

1991-01-01

This catalogue contains a large amount of photon spectra inside a cubic (30 cm side) and a cuboid (40x20x40 cm 3 ) water or lung phantom, calculated using the Monte Carlo program KASTENSPEC. The beams considered here are mainly those relevant to X-ray diagnosis, nuclear medicine and some other applications. The spectra are shown in tabular form for 10, 20 or 50 keV steps for different depths between the entrance surface and the exit surface and for one or two off-axis distances. The alteration of the spectrum with depth, field size and phantom size is discussed. (orig.)

The Spectra Count Label-free Quantitation in Cancer Proteomics

OpenAIRE

Zhou, Weidong; Liotta, Lance A.; Petricoin, Emanuel F.

2012-01-01

Mass spectrometry is used routinely for large-scale protein identification from complex biological mixtures. Recently, relative quantitation approach on the basis of spectra count has been applied in several cancer proteomic studies. In this review, we examine the mechanism of this technique and highlight several important parameters associated with its application.

VizieR Online Data Catalog: IRS spectra with features of crystalline silicates (Chen+, 2016)

Science.gov (United States)

Chen, R.; Luo, A.; Liu, J.; Jiang, B.

2018-04-01

Spectra taken by the IRS (Houck et al. 2004ApJS..154...18H) on the Spitzer space telescope (Werner et al. 2004ApJS..154....1W) are now publicly available. These spectra are produced using the bksub.tbl products from SL and LL modules of final SSC pipeline, version 18.18. From the IRS data archive, we found a collection of 16986 low-resolution spectra. The spectra are merged by four slits: SL2 (5.21-7.56 μm), SL1 (7.57-14.28 μm), LL2 (14.29-20.66 μm), and LL1 (20.67-38.00 μm). As crystalline silicates have no features in the SL2 band, we choose the spectra that include all the other three bands: SL1, LL2, and LL1 so that the object has a continuous spectrum from about 7.5-38 μm. In this way, five of the seven infrared complexes of crystalline silicates are covered, i.e., the 10, 18, 23, 28, and 33 μm complexes. (5 data files).

Spectra of Graphs

NARCIS (Netherlands)

Brouwer, A.E.; Haemers, W.H.

2012-01-01

This book gives an elementary treatment of the basic material about graph spectra, both for ordinary, and Laplace and Seidel spectra. The text progresses systematically, by covering standard topics before presenting some new material on trees, strongly regular graphs, two-graphs, association

Coherent manipulation of spontaneous emission spectra in coupled semiconductor quantum well structures.

Science.gov (United States)

Chen, Aixi

2014-11-03

In triple coupled semiconductor quantum well structures (SQWs) interacting with a coherent driving filed, a coherent coupling field and a weak probe field, spontaneous emission spectra are investigated. Our studies show emission spectra can easily be manipulated through changing the intensity of the driving and coupling field, detuning of the driving field. Some interesting physical phenomena such as spectral-line enhancement/suppression, spectral-line narrowing and spontaneous emission quenching may be obtained in our system. The theoretical studies of spontaneous emission spectra in SQWS have potential application in high-precision spectroscopy. Our studies are based on the real physical system [Appl. Phys. Lett.86(20), 201112 (2005)], and this scheme might be realizable with presently available techniques.

Pulse versus continuous peracetic acid applications: effects on Rainbow trout performance, biofilm formation and water quality

Science.gov (United States)

Peracetic acid (PAA) products are being introduced to aquaculture as sustainable disinfectants. Two strategies are used to apply PAA: short term high dose (1-2 mg L-1 PAA) periodic pulse applications or continuous low dose (< 0.2 mg L-1 PAA) applications. In the present study, these strategies and a...

FPDCYS and FPSPEC: computer programs for calculating fission-product beta and gamma multigroup spectra from ENDF/B-IV data

International Nuclear Information System (INIS)

Stamatelatos, M.G.; England, T.R.

1977-05-01

FPDCYS and FPSPEC are two FORTRAN computer programs used at the Los Alamos Scientific Laboratory (LASL), in conjunction with the CINDER-10 program, for calculating cumulative fission-product beta and/or gamma multigroup spectra in arbitrary energy structures, and for arbitrary neutron irradiation periods and cooling times. FPDCYS processes ENDF/B-IV fission-product decay energy data to generate multigroup beta and gamma spectra from individual ENDF/B-IV fission-product nuclides. FPSPEC further uses these spectra and the corresponding nuclide activities calculated by the CINDER-10 code to produce cumulative beta and gamma spectra in the same energy grids in which FPDCYS generates individual isotope decay spectra. The code system consisting of CINDER-10, FPDCYS, and FPSPEC has been used for comparisons with experimental spectra and continues to be used at LASL for generating spectra in special user-oriented group structures. 3 figures

THE APPLICATION OF CONTINUOUS WAVELET TRANSFORM BASED FOREGROUND SUBTRACTION METHOD IN 21 cm SKY SURVEYS

International Nuclear Information System (INIS)

Gu Junhua; Xu Haiguang; Wang Jingying; Chen Wen; An Tao

2013-01-01

We propose a continuous wavelet transform based non-parametric foreground subtraction method for the detection of redshifted 21 cm signal from the epoch of reionization. This method works based on the assumption that the foreground spectra are smooth in frequency domain, while the 21 cm signal spectrum is full of saw-tooth-like structures, thus their characteristic scales are significantly different. We can distinguish them in the wavelet coefficient space easily and perform the foreground subtraction. Compared with the traditional spectral fitting based method, our method is more tolerant to complex foregrounds. Furthermore, we also find that when the instrument has uncorrected response error, our method can also work significantly better than the spectral fitting based method. Our method can obtain similar results with the Wp smoothing method, which is also a non-parametric method, but our method consumes much less computing time

Pure Absolutely Continuous Spectrum for Random Operators on $l^2(Z^d)$ at Low Disorder

CERN Document Server

Grinshpun, V

2006-01-01

Absence of singular continuous component, with probability one, in the spectra of random perturbations of multidimensional finite-difference Hamiltonians, is for the first time rigorously established under certain conditions ensuring either absence of point component, or absence of absolutely continuous component in the corresponding regions of spectra. The main technical tool involved is the rank-one perturbation theory of singular spectra. The respective new result (the non-mixing property) is applied to establish existence and bounds of the (non-empty) pure absolutely continuous component in the spectrum of the Anderson model with bounded random potential in dimension d=2 at low disorder (similar proof holds for d>4). The new result implies, via the trace-class perturbation analysis, Anderson model with the unbounded random potential having only pure point spectrum (complete system of localized wave-functions) with probability one in arbitrary dimension. The basic idea is to establish absence of the mixed,...

Continuous Integration for Concurrent MOOSE Framework and Application Development on GitHub

OpenAIRE

Slaughter, Andrew E.; Peterson, John W.; Gaston, Derek R.; Permann, Cody J.; Andrš, David; Miller, Jason M.

2015-01-01

For the past several years, Idaho National Laboratory’s MOOSE framework team has employed modern software engineering techniques (continuous integration, joint application/framework source code repos- itories, automated regression testing, etc.) in developing closed-source multiphysics simulation software (Gaston et al., 'Journal of Open Research Software' vol. 2, article e10, 2014). In March 2014, the MOOSE framework was released under an open source license on GitHub, significantly expandin...

Isotope effects on the optical spectra of semiconductors

Science.gov (United States)

Cardona, Manuel; Thewalt, M. L. W.

2005-10-01

Since the end of the cold war, macroscopic amounts of separated stable isotopes of most elements have been available “off the shelf” at affordable prices. Using these materials, single crystals of many semiconductors have been grown and the dependence of their physical properties on isotopic composition has been investigated. The most conspicuous effects observed have to do with the dependence of phonon frequencies and linewidths on isotopic composition. These affect the electronic properties of solids through the mechanism of electron-phonon interaction, in particular, in the corresponding optical excitation spectra and energy gaps. This review contains a brief introduction to the history, availability, and characterization of stable isotopes, including their many applications in science and technology. It is followed by a concise discussion of the effects of isotopic composition on the vibrational spectra, including the influence of average isotopic masses and isotopic disorder on the phonons. The final sections deal with the effects of electron-phonon interaction on energy gaps, the concomitant effects on the luminescence spectra of free and bound excitons, with particular emphasis on silicon, and the effects of isotopic composition of the host material on the optical transitions between the bound states of hydrogenic impurities.

Networked Learning and Network Science: Potential Applications to Health Professionals' Continuing Education and Development.

Science.gov (United States)

Margolis, Alvaro; Parboosingh, John

2015-01-01

Prior interpersonal relationships and interactivity among members of professional associations may impact the learning process in continuing medical education (CME). On the other hand, CME programs that encourage interactivity between participants may impact structures and behaviors in these professional associations. With the advent of information and communication technologies, new communication spaces have emerged that have the potential to enhance networked learning in national and international professional associations and increase the effectiveness of CME for health professionals. In this article, network science, based on the application of network theory and other theories, is proposed as an approach to better understand the contribution networking and interactivity between health professionals in professional communities make to their learning and adoption of new practices over time. © 2015 The Alliance for Continuing Education in the Health Professions, the Society for Academic Continuing Medical Education, and the Council on Continuing Medical Education, Association for Hospital Medical Education.

Ab initio molecular crystal structures, spectra, and phase diagrams.

Science.gov (United States)

Hirata, So; Gilliard, Kandis; He, Xiao; Li, Jinjin; Sode, Olaseni

2014-09-16

Conspectus Molecular crystals are chemists' solids in the sense that their structures and properties can be understood in terms of those of the constituent molecules merely perturbed by a crystalline environment. They form a large and important class of solids including ices of atmospheric species, drugs, explosives, and even some organic optoelectronic materials and supramolecular assemblies. Recently, surprisingly simple yet extremely efficient, versatile, easily implemented, and systematically accurate electronic structure methods for molecular crystals have been developed. The methods, collectively referred to as the embedded-fragment scheme, divide a crystal into monomers and overlapping dimers and apply modern molecular electronic structure methods and software to these fragments of the crystal that are embedded in a self-consistently determined crystalline electrostatic field. They enable facile applications of accurate but otherwise prohibitively expensive ab initio molecular orbital theories such as Møller-Plesset perturbation and coupled-cluster theories to a broad range of properties of solids such as internal energies, enthalpies, structures, equation of state, phonon dispersion curves and density of states, infrared and Raman spectra (including band intensities and sometimes anharmonic effects), inelastic neutron scattering spectra, heat capacities, Gibbs energies, and phase diagrams, while accounting for many-body electrostatic (namely, induction or polarization) effects as well as two-body exchange and dispersion interactions from first principles. They can fundamentally alter the role of computing in the studies of molecular crystals in the same way ab initio molecular orbital theories have transformed research practices in gas-phase physical chemistry and synthetic chemistry in the last half century. In this Account, after a brief summary of formalisms and algorithms, we discuss applications of these methods performed in our group as compelling

Smart pile-up consideration for evaluation of high count rate EDS spectra

International Nuclear Information System (INIS)

Eggert, F; Anderhalt, R; Nicolosi, J; Elam, T

2012-01-01

This work describes a new pile-up consideration for the very high count rate spectra which are possible to acquire with silicon drift detector (SDD) technology. Pile-up effects are the major and still remaining challenge with the use of SDD for EDS in scanning electron microscopes (SEM) with ultra thin windows for soft X-ray detection. The ability to increase the count rates up to a factor of 100 compared with conventional Si(Li) detectors, comes with the problem that the pile-up recognition (pile-up rejection) in pulse processors is not able to improve by the same order of magnitude, just only with a factor of about 3. Therefore, it is common that spectra will show significant pile-up effects if count rates of more than 10000 counts per second (10 kcps) are used. These false counts affect both automatic qualitative analysis and quantitative evaluation of the spectra. The new idea is to use additional inputs for pile-up calculation to shift the applicability towards very high count rates of up to 200 kcps and more, which can be easily acquired with the SDD. The additional input is the 'known' (estimated) background distribution, calculated iteratively during all automated qualitative or quantitative evaluations. This additional knowledge gives the opportunity for self adjustment of the pile-up calculation parameters and avoids over-corrections which challenge the evaluation as well as the pile-up artefacts themselves. With the proposed method the pile-up correction is no longer a 'correction' but an integral part of all spectra evaluation steps. Examples for the application are given with evaluation of very high count rate spectra.

Time series analysis of continuous-wave coherent Doppler Lidar wind measurements

International Nuclear Information System (INIS)

Sjoeholm, M; Mikkelsen, T; Mann, J; Enevoldsen, K; Courtney, M

2008-01-01

The influence of spatial volume averaging of a focused 1.55 μm continuous-wave coherent Doppler Lidar on observed wind turbulence measured in the atmospheric surface layer over homogeneous terrain is described and analysed. Comparison of Lidar-measured turbulent spectra with spectra simultaneously obtained from a mast-mounted sonic anemometer at 78 meters height at the test station for large wind turbines at Hoevsoere in Western Jutland, Denmark is presented for the first time

The complex initial reluctivity, permeability and susceptibility spectra of magnetic materials

Science.gov (United States)

Hamilton, N. C.

2015-03-01

The HF complex permeability spectrum of a magnetic material is deduced from the measured impedance spectrum, which is then normalized to a series permeability spectrum. However, this series permeability spectrum has previously been shown to correspond to a parallel magnetic circuit, which is not appropriate. Some of the implications of this truth are examined. This electric/magnetic duality has frustrated efforts to interpret the shape of the complex magnetic permeability spectra of materials, and has hindered the application of impedance spectroscopy to magnetic materials. In the presence of magnetic loss, the relationship between the relative magnetic permeability and the magnetic susceptibility is called into question. The use of reluctivity spectra for expressing magnetic material properties is advocated. The relative loss factor, tanδm/μi is shown to be an approximation for the imaginary part of the reluctivity. A single relaxation model for the initial reluctivity spectra of magnetic materials is presented, and its principles are applied to measurements of a high permeability ferrite. The results are presented as contour plots of the spectra as a function of temperature.

Development of generic floor response spectra for equipment qualification for seismic loads

International Nuclear Information System (INIS)

Curren, J.R.; Costantino, C.J.

1984-01-01

A generic floor response spectra has been developed for use in the qualification of electrical and mechanical equipment in operating nuclear power plants. Actual PWR and BWR - Mark I structural models were used as representative of a class of structures. For each model, the stiffness properties were varied, with the same mass, so as to extend the fundamental base structure natural frequency from 2 cps to 36 cps. This resulted in fundamental mode coupled natural frequencies as low as 0.86 cps and as high as 30 cps. The characteristics of 1000 floor response spectra were studied to determine the generic spectra. A procedure for its application to any operating plant has been established. The procedure uses as much or as little information that currently exists at the plant relating to the question of equipment qualification. A generic floor response spectra is proposed for the top level of a generic structure. Reduction factors are applied to the peak acceleration for equipment at lower levels

Development of generic floor response spectra for equipment qualification for seismic loads

International Nuclear Information System (INIS)

Curreri, J.R.; Costantino, C.J.

1984-10-01

A generic floor response spectra has been developed for use in the qualification of electrical and mechanical equipment in operating nuclear power plants. Actual PWR and BWR - Mark I structural models were used as representative of a class of structures. For each model, the stiffness properties were varied, with the same mass, so as to extend the fundamental base structure natural frequency from 2 cps to 36 cps. This resulted in fundamental mode coupled natural frequencies as low as 0.86 cps and as high as 30 cps. The characteristics of 1000 floor response spectra were studied to determine the generic spectra. A procedure for its application to any operating plant has been established. The procedure uses as much or as little information that currently exists at the plant relating to the question of equipment qualification. A generic floor response spectra is proposed for the top level of a generic structure. Reduction factors are applied to the peak acceleration for equipment at lower levels

Therapeutic plasma exchange: a paired comparison of Fresenius AS104 vs. COBE Spectra.

Science.gov (United States)

Burgstaler, E A; Pineda, A A

2001-01-01

For therapeutic plasma exchange (TPE), continuous flow separators are known to be efficient as exemplified by Fresenius AS104 and COBE Spectra. The AS104 uses an interface monitoring system in the centrifuge during TPE, whereas Spectra uses computer algorithms to establish the plasma-cell interface. To determine the plasma collection efficiency (PLCE), anticoagulant (AC) volumes used, and platelets (PLT) lost of the AS104 and the Spectra, we performed a prospective paired comparison of 20 TPE (each machine). The study included 17 patients, 1.3 plasma volume exchanges (without AC), equal inlet rates, and AC ratio of 13:1. Processing times did not include reinfuse mode. Platelet loss was determined by sampling the collection bags. Inlet rates were between 60-110 ml/min. Diagnosis included peripheral neuropathies, TTP and cryoglobulinemia. The AS104 had significantly (P<0.0001) lower average whole blood processed (F:6,601 vs. S:8,584 ml), AC volume (F:532 vs. S:719 ml), and processing time (F:80 vs. S:102 minutes) than Spectra. The AS104 had significantly (P<0.0001) higher average plasma flow rates (F:53 vs. S:44 ml/minute), plasma collection efficiency (F:90 vs. S:69%), and platelet loss (F:2.0 vs. S:0.14 x 10(11) plt) than Spectra. Platelet loss correlated with inlet flow rate with the AS104 but not with the Spectra. The AS104 has a significantly higher collection efficiency than Spectra allowing it to remove the same amount of plasma in significantly less time, by processing significantly less blood, using significantly less AC, but removing significantly more platelets than Spectra. Copyright 2001 Wiley-Liss, Inc.

Catalogue of neutron spectra

International Nuclear Information System (INIS)

Buxerolle, M.; Massoutie, M.; Kurdjian, J.

1987-09-01

Neutron dosimetry problems have arisen as a result of developments in the applications of nuclear energy. The largest number of possible irradiation situations has been collected: they are presented in the form of a compilation of 44 neutron spectra. Diagrams show the variations of energy fluence and energy fluence weighted by the dose equivalent/fluence conversion factor, with the logarithm of the corresponding energy. The equivalent dose distributions are presented as percentages for the following energy bins: 0.01 eV/0.5 eV/50 keV/1 MeV/5 MeV/15 MeV. The dose equivalent, the mean energy and the effective energy for the dose equivalent for 1 neutron cm -2 are also given [fr

State-independent quantum contextuality for continuous variables

International Nuclear Information System (INIS)

Plastino, Angel R.; Cabello, Adan

2010-01-01

Recent experiments have shown that nature violates noncontextual inequalities regardless of the state of the physical system. So far, all these inequalities involve measurements of dichotomic observables. We show that state-independent quantum contextuality can also be observed in the correlations between measurements of observables with genuinely continuous spectra, highlighting the universal character of the effect.

1H nmr spectra of dichloro and dihydroxy derivatives of methylcyclosiloxanes

International Nuclear Information System (INIS)

Lavrukhin, B.D.

1986-01-01

The authors report on a continuation of an investigation of how the nature of the substituents on the Si atoms influences the character of the spectra. As objects of investigation, the authors took the dichloro and dihydroxy derivatives of cyclosiloxanes with 4 to 8 Si atoms in the ring. Shown are tables of chemical shifts of protons of CH 3 groups in chloromethylcyclosiloxanes, and chemical shifts of protons of CH 3 groups in linear methylsiloxanes and chloromethylsiloxanes. Additivity was demonstrated for chemical shifts of CH 3 group protons in dichloromethylcyclosiloxanes, and the increments of chemical shift were obtained for 8-, 10-, 12-, 14-, and 16-membered rings. It was established that the chemical shifts in the spectra of the dihydroxy derivatives are nonadditive

A improved method for the analysis of alpha spectra

International Nuclear Information System (INIS)

Equillor, Hugo E.

2004-01-01

In this work we describe a methodology, developed in the last years, for the analysis of alpha emitters spectra, obtained with implanted ion detectors, that tend to solve some of the problems that shows this type of spectra. This is an improved methodology respect to that described in a previous publication. The method is based on the application of a mathematical function that allows to model the tail of an alpha peak, to evaluate the part of the peak that is not seen in the cases of partial superposition with another peak. Also, a calculation program that works in a semiautomatic way, with the possibility of interactive intervention of the analyst, has been developed simultaneously and is described in detail. (author)

Continuous surveillance of transformers using artificial intelligence methods; Surveillance continue des transformateurs: application des methodes d'intelligence artificielle

Energy Technology Data Exchange (ETDEWEB)

Schenk, A.; Germond, A. [Ecole Polytechnique Federale de Lausanne, Lausanne (Switzerland); Boss, P.; Lorin, P. [ABB Secheron SA, Geneve (Switzerland)

2000-07-01

The article describes a new method for the continuous surveillance of power transformers based on the application of artificial intelligence (AI) techniques. An experimental pilot project on a specially equipped, strategically important power transformer is described. Traditional surveillance methods and the use of mathematical models for the prediction of faults are described. The article describes the monitoring equipment used in the pilot project and the AI principles such as self-organising maps that are applied. The results obtained from the pilot project and methods for their graphical representation are discussed.

Observational and theoretical spectra of supernovae

Science.gov (United States)

Wheeler, J. Craig; Swartz, Douglas A.; Harkness, Robert P.

1993-05-01

Progress in nuclear astrophysics by means of quantitative supernova spectroscopy is discussed with special concentration on type Ia, Ib and Ic and on SN 1987A. Spectral calculations continue to support an exploding C/O white dwarf as the best model of a SN Ia. Deflagration model W7 produces good maximum light spectra of SN Ia and seems to have a better composition distribution compared to delayed detonation models, but proper treatment of opacity remains a problem and the physical basis of SN Ia explosions is still not completely understood. All models for SN Ia predict large quantities of 56Co in the ejecta, but it is not clear that observations confirm this. Although the evolutionary origin of SN Ia remains uncertain, there is recent evidence that transfer of hydrogen in a binary system may be involved, as long suspected. There has been progress in comparing dynamical models with the optical/IR spectra of SN 1987A. The evolution of the [OI] λλ6300, 6364 feature and the presence of strong persistent HeI λ10 830 indicate that both the envelope and core material contribute substantially to the formation of emission lines in the nebular phase and that neither the core nor the envelope can be neglected. Blending with nearby hydrogen lines may affect both of these spectral features, thereby complicating the analysis of the lines. The effects of continuum transfer and photoionization have been included and are under study. The discrepancies between theoretical and observed spectra are due primarily to the one-dimensional hydrodynamic models. The spectral data are not consistent with the high density ``spike'' (in radial coordinate) of the core material that is predicted by all such models. Analysis of the light curves of SN Ib and SN Ic supernovae implies that there are significant differences in their physical properties. Some SN Ib have considerably more ejecta mass than SN Ic events. SN Ib require He-rich atmospheres to produce the observed strong optical lines of

High performance superconducting radio frequency ingot niobium technology for continuous wave applications

International Nuclear Information System (INIS)

Dhakal, Pashupati; Ciovati, Gianluigi; Myneni, Ganapati R.

2015-01-01

Future continuous wave (CW) accelerators require the superconducting radio frequency cavities with high quality factor and medium accelerating gradients (≤20 MV/m). Ingot niobium cavities with medium purity fulfill the specifications of both accelerating gradient and high quality factor with simple processing techniques and potential reduction in cost. This contribution reviews the current superconducting radiofrequency research and development and outlines the potential benefits of using ingot niobium technology for CW applications

SiOx Ink-Repellent Layer Deposited by Radio Frequency (RF) Plasmas in Continuous Wave and Pulse Mode

International Nuclear Information System (INIS)

Chen Qiang; Fu Yabo; Pang Hua; Zhang Yuefei; Zhang Guangqiu

2007-01-01

Low surface energy layers, proposed application for non-water printing in computer to plate (CTP) technology, are deposited in both continuous wave and pulse radio frequency (13.56 MHz) plasma with hexamethyldisiloxane (HMDSO) as precursor. It is found that the plasma mode dominates the polymer growth rate and the surface composition. Derived from the spectra of X-ray photoelectron spectroscopy (XPS) and combined with printable test it is concluded that concentration of Si in coatings plays an important role for the ink printability and the ink does not adhere on the surface with high silicon concentration

Automation of peak-tracking analysis of stepwise perturbed NMR spectra

Energy Technology Data Exchange (ETDEWEB)

Banelli, Tommaso; Vuano, Marco [Università di Udine, Dipartimento di Area Medica (Italy); Fogolari, Federico [INBB (Italy); Fusiello, Andrea [Università di Udine, Dipartimento Politecnico di Ingegneria e Architettura (Italy); Esposito, Gennaro [INBB (Italy); Corazza, Alessandra, E-mail: alessandra.corazza@uniud.it [Università di Udine, Dipartimento di Area Medica (Italy)

2017-02-15

We describe a new algorithmic approach able to automatically pick and track the NMR resonances of a large number of 2D NMR spectra acquired during a stepwise variation of a physical parameter. The method has been named Trace in Track (TinT), referring to the idea that a gaussian decomposition traces peaks within the tracks recognised through 3D mathematical morphology. It is capable of determining the evolution of the chemical shifts, intensity and linewidths of each tracked peak.The performances obtained in term of track reconstruction and correct assignment on realistic synthetic spectra were high above 90% when a noise level similar to that of experimental data were considered. TinT was applied successfully to several protein systems during a temperature ramp in isotope exchange experiments. A comparison with a state-of-the-art algorithm showed promising results for great numbers of spectra and low signal to noise ratios, when the graduality of the perturbation is appropriate. TinT can be applied to different kinds of high throughput chemical shift mapping experiments, with quasi-continuous variations, in which a quantitative automated recognition is crucial.

EFFECT OF MICROWAVE POWER ON SHAPE OF EPR SPECTRA--APPLICATION TO EXAMINATION OF COMPLEX FREE RADICAL SYSTEM IN THERMALLY STERILIZED ACIDUM BORICUM.

Science.gov (United States)

Ramos, Paweł; Pieprzyca, Małgorzata; Pilawa, Barbara

2016-01-01

Complex free radical system in thermally sterilized acidum boricum (AB) was studied. Acidum boricum was sterilized at temperatures and times given by pharmaceutical norms: 160 degrees C and 120 min, 170 degrees C and 60 min and 180 degrees C and 30 min. The advanced spectroscopic tests were performed. The EPR spectra of free radicals were measured as the first derivatives with microwaves of 9.3 GHz frequency and magnetic modulation of 100 kHz. The Polish X-band electron paramagnetic resonance spectrometer of Radiopan (Poznań) was used. EPR lines were not observed for the nonheated AB. The broad EPR asymmetric lines were obtained for all the heated AB samples. The influence of microwave power in the range of 2.2-70 mW on the shape of EPR spectra of the heated drug samples was tested. The following asymmetry parameters: A1/A2, A1-A2, B1/B2, and B1-B2, were analyzed. The changes of these parameters with microwave power were observed. The strong dependence of shape and its parameters on microwave power proved the complex character of free radical system in thermally sterilized AB. Changes of microwave power during the detection of EPR spectra indicated complex character of free radicals in AB sterilized in hot air under all the tested conditions. Thermolysis, interactions between free radicals and interactions of free radicals with oxygen may be responsible for the complex free radicals system in thermally treated AB. Usefulness of continuous microwave saturation of EPR lines and shape analysis to examine free radicals in thermally sterilized drugs was confirmed.

Interpretation of cw-ESR spectra of p-methyl-thio-phenyl-nitronyl nitroxide in a nematic liquid crystalline phase.

Science.gov (United States)

Collauto, Alberto; Zerbetto, Mirco; Brustolon, Marina; Polimeno, Antonino; Caneschi, Andrea; Gatteschi, Dante

2012-03-07

In this paper we report on the characterization by continuous wave electron spin resonance spectroscopy (cw-ESR) of a nitronyl nitroxide radical in a nematic phase. A detailed analysis is performed by exploiting an innovative modeling strategy alternative to the usual spectral simulation approach: most of the molecular parameters needed to calculate the spectrum are evaluated a priori and the ESR spectrum is obtained by direct application of the stochastic Liouville equation. Allowing a limited set of fitting parameters it is possible to reproduce satisfactorily ESR spectra in the temperature range 260 K-340 K including the nematic-to-isotropic phase transition (325.1 K). Our results open the way to a more quantitative understanding of the ordering and mobility of nitronyl nitroxide radicals in nanostructured environments.

Automated Processing of Two-Dimensional Correlation Spectra

Science.gov (United States)

Sengstschmid; Sterk; Freeman

1998-04-01

An automated scheme is described which locates the centers of cross peaks in two-dimensional correlation spectra, even under conditions of severe overlap. Double-quantum-filtered correlation (DQ-COSY) spectra have been investigated, but the method is also applicable to TOCSY and NOESY spectra. The search criterion is the intrinsic symmetry (or antisymmetry) of cross-peak multiplets. An initial global search provides the preliminary information to build up a two-dimensional "chemical shift grid." All genuine cross peaks must be centered at intersections of this grid, a fact that reduces the extent of the subsequent search program enormously. The program recognizes cross peaks by examining the symmetry of signals in a test zone centered at a grid intersection. This "symmetry filter" employs a "lowest value algorithm" to discriminate against overlapping responses from adjacent multiplets. A progressive multiplet subtraction scheme provides further suppression of overlap effects. The processed two-dimensional correlation spectrum represents cross peaks as points at the chemical shift coordinates, with some indication of their relative intensities. Alternatively, the information is presented in the form of a correlation table. The authenticity of a given cross peak is judged by a set of "confidence criteria" expressed as numerical parameters. Experimental results are presented for the 400-MHz double-quantum-filtered COSY spectrum of 4-androsten-3,17-dione, a case where there is severe overlap. Copyright 1998 Academic Press.

Application of work load spectra for estimative of the skin entrance dose

International Nuclear Information System (INIS)

Pereira, P.A.A.; Furquim, T.A.C.; Costa, P.R.

2004-01-01

The present work refers to obtaining data for the determination of workload spectra related to the use of different radiological equipment. The obtained information was stored in a data base developed for this working program. Values of skin entrance dose were obtained bu using the results of the field research (performed in radiological clinics and hospitals of Sao Paulo). (author)

75 FR 22631 - Notice of Continuance for General Clearance for Guidelines, Applications, and Reporting Forms

Science.gov (United States)

2010-04-29

... NATIONAL FOUNDATION FOR THE ARTS AND HUMANITIES Notice of Continuance for General Clearance for Guidelines, Applications, and Reporting Forms AGENCY: Institute of Museum and Library Services. ACTION... of higher education, library and museum professional associations, and museum and library...

The deconvolution of complex spectra by artificial immune system

Science.gov (United States)

Galiakhmetova, D. I.; Sibgatullin, M. E.; Galimullin, D. Z.; Kamalova, D. I.

2017-11-01

An application of the artificial immune system method for decomposition of complex spectra is presented. The results of decomposition of the model contour consisting of three components, Gaussian contours, are demonstrated. The method of artificial immune system is an optimization method, which is based on the behaviour of the immune system and refers to modern methods of search for the engine optimization.

Spectra of γ rays feeding superdeformed bands

International Nuclear Information System (INIS)

Lauritsen, T.; Khoo, T.L.; Henry, R.G.

1995-01-01

The spectrum of γrays coincident with SD transitions contains the transitions which populate the SD band. This spectrum can provide information on the feeding mechanism and on the properties (moment of inertia, collectivity) of excited SD states. We used a model we developed to explain the feeding of SD bands, to calculate the spectrum of feeding γrays. The Monte Carlo simulations take into account the trigger conditions present in our Eurogam experiment. Both experimental and theoretical spectra contain a statistical component and a broad E2 peak (from transitions occurring between excited states in the SD well). There is good resemblance between the measured and calculated spectra although the calculated multiplicity of an E2 bump is low by ∼30%. Work is continuing to improve the quality of the fits, which will result in a better understanding of excited SD states. In addition, a model for the last steps, which cool the γ cascade into the SD yrast line, needs to be developed. A strong M1/E2 low-energy component, which we believe is responsible for this cooling, was observed

Spectra of {gamma} rays feeding superdeformed bands

Energy Technology Data Exchange (ETDEWEB)

Lauritsen, T.; Khoo, T.L.; Henry, R.G. [and others

1995-08-01

The spectrum of {gamma}rays coincident with SD transitions contains the transitions which populate the SD band. This spectrum can provide information on the feeding mechanism and on the properties (moment of inertia, collectivity) of excited SD states. We used a model we developed to explain the feeding of SD bands, to calculate the spectrum of feeding {gamma}rays. The Monte Carlo simulations take into account the trigger conditions present in our Eurogam experiment. Both experimental and theoretical spectra contain a statistical component and a broad E2 peak (from transitions occurring between excited states in the SD well). There is good resemblance between the measured and calculated spectra although the calculated multiplicity of an E2 bump is low by {approximately}30%. Work is continuing to improve the quality of the fits, which will result in a better understanding of excited SD states. In addition, a model for the last steps, which cool the {gamma} cascade into the SD yrast line, needs to be developed. A strong M1/E2 low-energy component, which we believe is responsible for this cooling, was observed.

A novel baseline-correction method for standard addition based derivative spectra and its application to quantitative analysis of benzo(a)pyrene in vegetable oil samples.

Science.gov (United States)

Li, Na; Li, Xiu-Ying; Zou, Zhe-Xiang; Lin, Li-Rong; Li, Yao-Qun

2011-07-07

In the present work, a baseline-correction method based on peak-to-derivative baseline measurement was proposed for the elimination of complex matrix interference that was mainly caused by unknown components and/or background in the analysis of derivative spectra. This novel method was applicable particularly when the matrix interfering components showed a broad spectral band, which was common in practical analysis. The derivative baseline was established by connecting two crossing points of the spectral curves obtained with a standard addition method (SAM). The applicability and reliability of the proposed method was demonstrated through both theoretical simulation and practical application. Firstly, Gaussian bands were used to simulate 'interfering' and 'analyte' bands to investigate the effect of different parameters of interfering band on the derivative baseline. This simulation analysis verified that the accuracy of the proposed method was remarkably better than other conventional methods such as peak-to-zero, tangent, and peak-to-peak measurements. Then the above proposed baseline-correction method was applied to the determination of benzo(a)pyrene (BaP) in vegetable oil samples by second-derivative synchronous fluorescence spectroscopy. The satisfactory results were obtained by using this new method to analyze a certified reference material (coconut oil, BCR(®)-458) with a relative error of -3.2% from the certified BaP concentration. Potentially, the proposed method can be applied to various types of derivative spectra in different fields such as UV-visible absorption spectroscopy, fluorescence spectroscopy and infrared spectroscopy.

Solar oxidation and removal of arsenic--Key parameters for continuous flow applications.

Science.gov (United States)

Gill, L W; O'Farrell, C

2015-12-01

Solar oxidation to remove arsenic from water has previously been investigated as a batch process. This research has investigated the kinetic parameters for the design of a continuous flow solar reactor to remove arsenic from contaminated groundwater supplies. Continuous flow recirculated batch experiments were carried out under artificial UV light to investigate the effect of different parameters on arsenic removal efficiency. Inlet water arsenic concentrations of up to 1000 μg/L were reduced to below 10 μg/L requiring 12 mg/L iron after receiving 12 kJUV/L radiation. Citrate however was somewhat surprisingly found to promote a detrimental effect on the removal process in the continuous flow reactor studies which is contrary to results found in batch scale tests. The impact of other typical water groundwater quality parameters (phosphate and silica) on the process due to their competition with arsenic for photooxidation products revealed a much higher sensitivity to phosphate ions compared to silicate. Other results showed no benefit from the addition of TiO2 photocatalyst but enhanced arsenic removal at higher temperatures up to 40 °C. Overall, these results have indicated the kinetic envelope from which a continuous flow SORAS single pass system could be more confidently designed for a full-scale community groundwater application at a village level. Copyright © 2015 Elsevier Ltd. All rights reserved.

Neutron and photon spectra in LINACs

International Nuclear Information System (INIS)

Vega-Carrillo, H.R.; Martínez-Ovalle, S.A.; Lallena, A.M.; Mercado, G.A.; Benites-Rengifo, J.L.

2012-01-01

A Monte Carlo calculation, using the MCNPX code, was carried out in order to estimate the photon and neutron spectra in two locations of two linacs operating at 15 and 18 MV. Detailed models of both linac heads were used in the calculations. Spectra were estimated below the flattening filter and at the isocenter. Neutron spectra show two components due to evaporation and knock-on neutrons. Lethargy spectra under the filter were compared to the spectra calculated from the function quoted by Tosi et al. that describes reasonably well neutron spectra beyond 1 MeV, though tends to underestimate the energy region between 10 –6 and 1 MeV. Neutron and the Bremsstrahlung spectra show the same features regardless of the linac voltage. - Highlights: ► With MCNPX code realistic models of two LINACs were built. ► Photon and neutron spectra below the flattening filter and at the isocenter were calculated. ► Neutron spectrum at the flattening filter was compared against the Tosi et al. source-term model. ► Tosi et al. model underestimates the neutron contribution below 1 MeV. ► Photon spectra look alike to those published in literature.

Gaining knowledge from previously unexplained spectra-application of the PTM-Explorer software to detect PTM in HUPO BPP MS/MS data.

Science.gov (United States)

Chamrad, Daniel C; Körting, Gerhard; Schäfer, Heike; Stephan, Christian; Thiele, Herbert; Apweiler, Rolf; Meyer, Helmut E; Marcus, Katrin; Blüggel, Martin

2006-09-01

A novel software tool named PTM-Explorer has been applied to LC-MS/MS datasets acquired within the Human Proteome Organisation (HUPO) Brain Proteome Project (BPP). PTM-Explorer enables automatic identification of peptide MS/MS spectra that were not explained in typical sequence database searches. The main focus was detection of PTMs, but PTM-Explorer detects also unspecific peptide cleavage, mass measurement errors, experimental modifications, amino acid substitutions, transpeptidation products and unknown mass shifts. To avoid a combinatorial problem the search is restricted to a set of selected protein sequences, which stem from previous protein identifications using a common sequence database search. Prior to application to the HUPO BPP data, PTM-Explorer was evaluated on excellently manually characterized and evaluated LC-MS/MS data sets from Alpha-A-Crystallin gel spots obtained from mouse eye lens. Besides various PTMs including phosphorylation, a wealth of experimental modifications and unspecific cleavage products were successfully detected, completing the primary structure information of the measured proteins. Our results indicate that a large amount of MS/MS spectra that currently remain unidentified in standard database searches contain valuable information that can only be elucidated using suitable software tools.

Application of semi-empirical modeling and non-linear regression to unfolding fast neutron spectra from integral reaction rate data

International Nuclear Information System (INIS)

Harker, Y.D.

1976-01-01

A semi-empirical analytical expression representing a fast reactor neutron spectrum has been developed. This expression was used in a non-linear regression computer routine to obtain from measured multiple foil integral reaction data the neutron spectrum inside the Coupled Fast Reactivity Measurement Facility. In this application six parameters in the analytical expression for neutron spectrum were adjusted in the non-linear fitting process to maximize consistency between calculated and measured integral reaction rates for a set of 15 dosimetry detector foils. In two-thirds of the observations the calculated integral agreed with its respective measured value to within the experimental standard deviation, and in all but one case agreement within two standard deviations was obtained. Based on this quality of fit the estimated 70 to 75 percent confidence intervals for the derived spectrum are 10 to 20 percent for the energy range 100 eV to 1 MeV, 10 to 50 percent for 1 MeV to 10 MeV and 50 to 90 percent for 10 MeV to 18 MeV. The analytical model has demonstrated a flexibility to describe salient features of neutron spectra of the fast reactor type. The use of regression analysis with this model has produced a stable method to derive neutron spectra from a limited amount of integral data

Fourier transform infrared spectra applications to chemical systems

CERN Document Server

Ferraro, John R

1978-01-01

Fourier Transform Infrared Spectroscopy: Applications to Chemical Systems presents the chemical applications of the Fourier transform interferometry (FT-IR).The book contains discussions on the applications of FT-IR in the fields of chromatography FT-IR, polymers and biological macromolecules, emission spectroscopy, matrix isolation, high-pressure interferometry, and far infrared interferometry. The final chapter is devoted to the presentation of the use of FT-IR in solving national technical problems such as air pollution, space exploration, and energy related subjects.Researc

Continuous cultivation of a thermophilic bacterium Aeribacillus pallidus 418 for production of an exopolysaccharide applicable in cosmetic creams.

Science.gov (United States)

Radchenkova, N; Panchev, I; Vassilev, S; Kuncheva, M; Dobreva, S; Kambourova, M

2015-11-01

The aim of this study was to evaluate the effectiveness of continuous cultivation approach for exopolysaccharide (EPS) production by a thermophilic micro-organism and the potential of the synthesized EPS for application in cosmetic industry. Study on the ability of Aeribacillus pallidus 418, isolated as a good EPS producer, to synthesize the polymer in continuous cultures showed higher production in comparison with batch cultures. The degree of the EPS in the precipitate after continuous cultivation significantly increased. Non-Newtonian pseudoplastic and thixotropic behaviour of EPS determines the ability of the received cream to become more fluid after increasing time of application on the skin. This study demonstrates a highly efficient way for production of EPS from a continuous growth culture of A. pallidus 418 that have many advantages and can outperform batch culture by eliminating time for cleaning and sterilization of the vessel and the comparatively long lag phases before the organisms enter a brief period of high productivity. The valuable physico-chemical properties of the synthesized EPS influenced positively the properties of a commercial cream. EPSs from thermophilic micro-organisms are of special interest due to the advantages of the thermophilic processes and nonpathogenic nature of the polymer molecules. However, their industrial application is hindered by the comparatively low biomass and correspondingly EPS yield. Suggested continuous approach for EPS could have an enormous economic potential for an industrial scale production of thermophilic EPSs. © 2015 The Society for Applied Microbiology.

Use of MCNP + GADRAS in Generating More Realistic Gamma-Ray Spectra for Plutonium and HEU Objects

International Nuclear Information System (INIS)

Rawool-Sullivan, Mohini; Mattingly, John; Mitchell, Dean

2012-01-01

The ability to accurately simulate high-resolution gamma spectra from materials that emit both neutrons and gammas is very important to the analysis of special nuclear materials (SNM), e.g., uranium and plutonium. One approach under consideration has been to combine MCNP and GADRAS. This approach is expected to generate more accurate gamma ray spectra for complex three-dimensional geometries than can be obtained from one-dimensional deterministic transport simulations (e.g., ONEDANT). This presentation describes application of combining MCNP and GADRAS in simulating plutonium and uranium spectra.

Absolute Configuration Determination by Quantum Mechanical Calculation of Chiroptical Spectra: Basics and Applications to Fungal Metabolites.

Science.gov (United States)

Superchi, Stefano; Scafato, Patrizia; Gorecki, Marcin; Pescitelli, Gennaro

2018-01-01

Quantum mechanical simulations of chiroptical properties, such as electronic circular dichroism (ECD), optical rotation (OR), and vibrational circular dichroism (VCD), have rapidly become very popular to assign the absolute configuration of novel natural products. We review the application of the ECD/OR/VCD computational methodology to chiral metabolites of fungal origin. First, we summarize the fundamentals of the three spectroscopies; then, we focus on the specific experimental and computational issues allied to the application of their calculations. We surveyed the entire literature describing the use of ECD/OR/VCD computations for fungal metabolites, and catalogued all papers according to the method employed and to the structural family of compounds. Then, we chose several examples to illustrate the use of the techniques and highlight the practical application of the computational approach. Our literature survey demonstrates that the simulation of ECD/OR/VCD spectra is nowadays widespread and accessible also to non-experts, although a good computational practice is necessary to avoid wrong assignments. ECD is still the most common technique used in the context of fungal metabolites. OR and VCD may be profitably employed when the compound of interest lacks chromophoric groups. Our examples illustrate that the combination of two or more chiroptical methods is strongly advisable in some cases, especially in the presence of high conformational flexibility, where a single technique does not lead to a safe conclusion. The ECD/OR/VCD computational approach is a reliable and versatile method to assign the absolute configuration of fungal metabolites and related natural products. Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.org.

Beyond Continuous Delivery: An Empirical Investigation of Continuous Deployment Challenges

DEFF Research Database (Denmark)

Shahin, Mojtaba; Ali Babar, Muhammad; Zahedi, Mansooreh

2017-01-01

Context: A growing number of software organizations have been adopting Continuous DElivery (CDE) and Continuous Deployment (CD) practices. Researchers have started investing significant efforts in studying different aspects of CDE and CD. Many studies refer to CDE (i.e., where an application is p...

Exciton scattering approach for optical spectra calculations in branched conjugated macromolecules

International Nuclear Information System (INIS)

Li, Hao; Wu, Chao; Malinin, Sergey V.; Tretiak, Sergei; Chernyak, Vladimir Y.

2016-01-01

The exciton scattering (ES) technique is a multiscale approach based on the concept of a particle in a box and developed for efficient calculations of excited-state electronic structure and optical spectra in low-dimensional conjugated macromolecules. Within the ES method, electronic excitations in molecular structure are attributed to standing waves representing quantum quasi-particles (excitons), which reside on the graph whose edges and nodes stand for the molecular linear segments and vertices, respectively. Exciton propagation on the linear segments is characterized by the exciton dispersion, whereas exciton scattering at the branching centers is determined by the energy-dependent scattering matrices. Using these ES energetic parameters, the excitation energies are then found by solving a set of generalized “particle in a box” problems on the graph that represents the molecule. Similarly, unique energy-dependent ES dipolar parameters permit calculations of the corresponding oscillator strengths, thus, completing optical spectra modeling. Both the energetic and dipolar parameters can be extracted from quantum-chemical computations in small molecular fragments and tabulated in the ES library for further applications. Subsequently, spectroscopic modeling for any macrostructure within a considered molecular family could be performed with negligible numerical effort. We demonstrate the ES method application to molecular families of branched conjugated phenylacetylenes and ladder poly-para-phenylenes, as well as structures with electron donor and acceptor chemical substituents. Time-dependent density functional theory (TD-DFT) is used as a reference model for electronic structure. The ES calculations accurately reproduce the optical spectra compared to the reference quantum chemistry results, and make possible to predict spectra of complex macromolecules, where conventional electronic structure calculations are unfeasible.

Exciton scattering approach for optical spectra calculations in branched conjugated macromolecules

Science.gov (United States)

Li, Hao; Wu, Chao; Malinin, Sergey V.; Tretiak, Sergei; Chernyak, Vladimir Y.

2016-12-01

The exciton scattering (ES) technique is a multiscale approach based on the concept of a particle in a box and developed for efficient calculations of excited-state electronic structure and optical spectra in low-dimensional conjugated macromolecules. Within the ES method, electronic excitations in molecular structure are attributed to standing waves representing quantum quasi-particles (excitons), which reside on the graph whose edges and nodes stand for the molecular linear segments and vertices, respectively. Exciton propagation on the linear segments is characterized by the exciton dispersion, whereas exciton scattering at the branching centers is determined by the energy-dependent scattering matrices. Using these ES energetic parameters, the excitation energies are then found by solving a set of generalized "particle in a box" problems on the graph that represents the molecule. Similarly, unique energy-dependent ES dipolar parameters permit calculations of the corresponding oscillator strengths, thus, completing optical spectra modeling. Both the energetic and dipolar parameters can be extracted from quantum-chemical computations in small molecular fragments and tabulated in the ES library for further applications. Subsequently, spectroscopic modeling for any macrostructure within a considered molecular family could be performed with negligible numerical effort. We demonstrate the ES method application to molecular families of branched conjugated phenylacetylenes and ladder poly-para-phenylenes, as well as structures with electron donor and acceptor chemical substituents. Time-dependent density functional theory (TD-DFT) is used as a reference model for electronic structure. The ES calculations accurately reproduce the optical spectra compared to the reference quantum chemistry results, and make possible to predict spectra of complex macromolecules, where conventional electronic structure calculations are unfeasible.

Exciton scattering approach for optical spectra calculations in branched conjugated macromolecules

Energy Technology Data Exchange (ETDEWEB)

Li, Hao [Department of Chemistry, University of Houston, Houston, TX 77204 (United States); Wu, Chao [Electronic Structure Lab, Center of Microscopic Theory and Simulation, Frontier Institute of Science and Technology, Xian Jiaotong University, Xian 710054 (China); Malinin, Sergey V. [Department of Chemistry, Wayne State University, 5101 Cass Avenue, Detroit, MI 48202 (United States); Tretiak, Sergei, E-mail: serg@lanl.gov [Theoretical Division and Center for Nonlinear Studies, Los Alamos National Laboratory, Los Alamos, NM 87545 (United States); Center for Integrated Nanotechnologies, Los Alamos National Laboratory, Los Alamos, NM 87545 (United States); Chernyak, Vladimir Y., E-mail: chernyak@chem.wayne.edu [Department of Chemistry, Wayne State University, 5101 Cass Avenue, Detroit, MI 48202 (United States)

2016-12-20

The exciton scattering (ES) technique is a multiscale approach based on the concept of a particle in a box and developed for efficient calculations of excited-state electronic structure and optical spectra in low-dimensional conjugated macromolecules. Within the ES method, electronic excitations in molecular structure are attributed to standing waves representing quantum quasi-particles (excitons), which reside on the graph whose edges and nodes stand for the molecular linear segments and vertices, respectively. Exciton propagation on the linear segments is characterized by the exciton dispersion, whereas exciton scattering at the branching centers is determined by the energy-dependent scattering matrices. Using these ES energetic parameters, the excitation energies are then found by solving a set of generalized “particle in a box” problems on the graph that represents the molecule. Similarly, unique energy-dependent ES dipolar parameters permit calculations of the corresponding oscillator strengths, thus, completing optical spectra modeling. Both the energetic and dipolar parameters can be extracted from quantum-chemical computations in small molecular fragments and tabulated in the ES library for further applications. Subsequently, spectroscopic modeling for any macrostructure within a considered molecular family could be performed with negligible numerical effort. We demonstrate the ES method application to molecular families of branched conjugated phenylacetylenes and ladder poly-para-phenylenes, as well as structures with electron donor and acceptor chemical substituents. Time-dependent density functional theory (TD-DFT) is used as a reference model for electronic structure. The ES calculations accurately reproduce the optical spectra compared to the reference quantum chemistry results, and make possible to predict spectra of complex macromolecules, where conventional electronic structure calculations are unfeasible.

Solar Energetic Particle Spectra

Science.gov (United States)

Ryan, J. M.; Boezio, M.; Bravar, U.; Bruno, A.; Christian, E. R.; de Nolfo, G. A.; Martucci, M.; Mergè, M.; Munini, R.; Ricci, M.; Sparvoli, R.; Stochaj, S.

2017-12-01

We report updated event-integrated spectra from several SEP events measured with PAMELA. The measurements were made from 2006 to 2014 in the energy range starting at 80 MeV and extending well above the neutron monitor threshold. The PAMELA instrument is in a high inclination, low Earth orbit and has access to SEPs when at high latitudes. Spectra have been assembled from these high-latitude measurements. The field of view of PAMELA is small and during the high-latitude passes it scans a wide range of asymptotic directions as the spacecraft orbits. Correcting for data gaps, solid angle effects and improved background corrections, we have compiled event-integrated intensity spectra for twenty-eight SEP events. Where statistics permit, the spectra exhibit power law shapes in energy with a high-energy exponential roll over. The events analyzed include two genuine ground level enhancements (GLE). In those cases the roll-over energy lies above the neutron monitor threshold ( 1 GV) while the others are lower. We see no qualitative difference between the spectra of GLE vs. non-GLE events, i.e., all roll over in an exponential fashion with rapidly decreasing intensity at high energies.

Reconstruction of neutron spectra using neural networks starting from the Bonner spheres spectrometric system

International Nuclear Information System (INIS)

Ortiz R, J.M.; Martinez B, M.R.; Arteaga A, T.; Vega C, H.R.; Hernandez D, V.M.; Manzanares A, E.

2005-01-01

The artificial neural networks (RN) have been used successfully to solve a wide variety of problems. However to determine an appropriate set of values of the structural parameters and of learning of these, it continues being even a difficult task. Contrary to previous works, here a set of neural networks is designed to reconstruct neutron spectra starting from the counting rates coming from the detectors of the Bonner spheres system, using a systematic and experimental strategy for the robust design of multilayer neural networks of the feed forward type of inverse propagation. The robust design is formulated as a design problem of Taguchi parameters. It was selected a set of 53 neutron spectra, compiled by the International Atomic Energy Agency, the counting rates were calculated that would take place in a Bonner spheres system, the set was arranged according to the wave form of those spectra. With these data and applying the Taguchi methodology to determine the best parameters of the network topology, it was trained and it proved the same one with the spectra. (Author)

Spectra processing with computer graphics

International Nuclear Information System (INIS)

Kruse, H.

1979-01-01

A program of processng gamma-ray spectra in rock analysis is described. The peak search was performed by applying a cross-correlation function. The experimental data were approximated by an analytical function represented by the sum of a polynomial and a multiple peak function. The latter is Gaussian, joined with the low-energy side by an exponential. A modified Gauss-Newton algorithm is applied for the purpose of fitting the data to the function. The processing of the values derived from a lunar sample demonstrates the effect of different choices of polynomial orders for approximating the background for various fitting intervals. Observations on applications of interactive graphics are presented. 3 figures, 1 table

BETA SPECTRA. I. Negatrons spectra; ESPECTROS BETA. I. Espectros simples de negatrones

Energy Technology Data Exchange (ETDEWEB)

Grau Malonda, A; Garcia-Torano, E

1978-07-01

Using the Fermi theory of beta decay, the beta spectra for 62 negatrons emitters have been computed introducing a correction factor for unique forbidden transitions. These spectra are plotted vs. energy, once normal i sed, and tabulated with the related Fermi functions. The average and median energies are calculated. (Author)

Mechanical approach to the neutrons spectra collimation and detection

Energy Technology Data Exchange (ETDEWEB)

Sadeghi, H.; Roshan, M. V. [Energy Engineering and Physics Department, Amirkabir University of Technology, Tehran (Iran, Islamic Republic of)

2014-11-15

Neutrons spectra from most of known sources require being collimated for numerous applications; among them one is the Neutron Activation Analysis. High energy neutrons are collimated through a mechanical procedure as one of the most promising methods. The output energy of the neutron beam depends on the velocity of the rotating Polyethylene disks. The collimated neutrons are then measured by an innovative detection technique with high accuracy.

Design spectra development considering short time histories

International Nuclear Information System (INIS)

Weiner, E.O.

1983-01-01

The need for generation of seismic acceleration histories to prescribed response spectra arises several ways in structural dynamics. For example, one way of obtaining floor spectra is to generate a history from a foundation spectra and then solve for the floor motion from which a floor spectrum can be obtained. Two separate programs, MODQKE and MDOF, were written to provide a capability of obtaining equipment spectra from design spectra. MODQKE generates or modifies acceleration histories to conform with design spectra pertaining to, say, a foundation. MDOF is a simple linear modal superposition program that solves for equipment support histories using the design spectra conforming histories as input. Equipment spectra, then, are obtained from the support histories using MODQKE

Silicon Drift Detector response function for PIXE spectra fitting

Science.gov (United States)

Calzolai, G.; Tapinassi, S.; Chiari, M.; Giannoni, M.; Nava, S.; Pazzi, G.; Lucarelli, F.

2018-02-01

The correct determination of the X-ray peak areas in PIXE spectra by fitting with a computer program depends crucially on accurate parameterization of the detector peak response function. In the Guelph PIXE software package, GUPIXWin, one of the most used PIXE spectra analysis code, the response of a semiconductor detector to monochromatic X-ray radiation is described by a linear combination of several analytical functions: a Gaussian profile for the X-ray line itself, and additional tail contributions (exponential tails and step functions) on the low-energy side of the X-ray line to describe incomplete charge collection effects. The literature on the spectral response of silicon X-ray detectors for PIXE applications is rather scarce, in particular data for Silicon Drift Detectors (SDD) and for a large range of X-ray energies are missing. Using a set of analytical functions, the SDD response functions were satisfactorily reproduced for the X-ray energy range 1-15 keV. The behaviour of the parameters involved in the SDD tailing functions with X-ray energy is described by simple polynomial functions, which permit an easy implementation in PIXE spectra fitting codes.

Summary report of the consultants' meeting on neutron sources spectra for EXFOR

International Nuclear Information System (INIS)

Simakov, S.P.; Kaeppeler, F.

2011-10-01

The participants highlighted the importance of complementing the averaged cross section data already stored in EXFOR by the incident neutron energy spectra. They shared their experience on measurement and simulation of neutron fields produced at reactors and accelerators over a wide energy range. The source characteristics, format and rules needed for storage in EXFOR were discussed. The participants submitted the numerical information on spectra that will essentially increase the number of 'complete' data sets in EXFOR. The report additionally provides an overview of (i) neutron production cross sections and thick target yields missing from the EXFOR database; (ii) codes for neutron spectra calculations; (iii) informational resources for reactor, radioactive and spallation neutron sources; (iv) codes for spectrum unfolding and (v) EXFOR compilation rules for the Maxwellian averaged cross sections measured for the reactor and astrophysical applications. (author)

Quantitative Interpretation of Multifrequency Multimode EPR Spectra of Metal Containing Proteins, Enzymes, and Biomimetic Complexes.

Science.gov (United States)

Petasis, Doros T; Hendrich, Michael P

2015-01-01

Electron paramagnetic resonance (EPR) spectroscopy has long been a primary method for characterization of paramagnetic centers in materials and biological complexes. Transition metals in biological complexes have valence d-orbitals that largely define the chemistry of the metal centers. EPR spectra are distinctive for metal type, oxidation state, protein environment, substrates, and inhibitors. The study of many metal centers in proteins, enzymes, and biomimetic complexes has led to the development of a systematic methodology for quantitative interpretation of EPR spectra from a wide array of metal containing complexes. The methodology is now contained in the computer program SpinCount. SpinCount allows simulation of EPR spectra from any sample containing multiple species composed of one or two metals in any spin state. The simulations are quantitative, thus allowing determination of all species concentrations in a sample directly from spectra. This chapter will focus on applications to transition metals in biological systems using EPR spectra from multiple microwave frequencies and modes. © 2015 Elsevier Inc. All rights reserved.

Monte Carlo simulation of reflection spectra of random multilayer media strongly scattering and absorbing light

International Nuclear Information System (INIS)

Meglinskii, I V

2001-01-01

The reflection spectra of a multilayer random medium - the human skin - strongly scattering and absorbing light are numerically simulated. The propagation of light in the medium and the absorption spectra are simulated by the stochastic Monte Carlo method, which combines schemes for calculations of real photon trajectories and the statistical weight method. The model takes into account the inhomogeneous spatial distribution of blood vessels, water, and melanin, the degree of blood oxygenation, and the hematocrit index. The attenuation of the incident radiation caused by reflection and refraction at Fresnel boundaries of layers inside the medium is also considered. The simulated reflection spectra are compared with the experimental reflection spectra of the human skin. It is shown that a set of parameters that was used to describe the optical properties of skin layers and their possible variations, despite being far from complete, is nevertheless sufficient for the simulation of the reflection spectra of the human skin and their quantitative analysis. (laser applications and other topics in quantum electronics)

[A new peak detection algorithm of Raman spectra].

Science.gov (United States)

Jiang, Cheng-Zhi; Sun, Qiang; Liu, Ying; Liang, Jing-Qiu; An, Yan; Liu, Bing

2014-01-01

The authors proposed a new Raman peak recognition method named bi-scale correlation algorithm. The algorithm uses the combination of the correlation coefficient and the local signal-to-noise ratio under two scales to achieve Raman peak identification. We compared the performance of the proposed algorithm with that of the traditional continuous wavelet transform method through MATLAB, and then tested the algorithm with real Raman spectra. The results show that the average time for identifying a Raman spectrum is 0.51 s with the algorithm, while it is 0.71 s with the continuous wavelet transform. When the signal-to-noise ratio of Raman peak is greater than or equal to 6 (modern Raman spectrometers feature an excellent signal-to-noise ratio), the recognition accuracy with the algorithm is higher than 99%, while it is less than 84% with the continuous wavelet transform method. The mean and the standard deviations of the peak position identification error of the algorithm are both less than that of the continuous wavelet transform method. Simulation analysis and experimental verification prove that the new algorithm possesses the following advantages: no needs of human intervention, no needs of de-noising and background removal operation, higher recognition speed and higher recognition accuracy. The proposed algorithm is operable in Raman peak identification.

Snapshot hyperspectral imaging and practical applications

International Nuclear Information System (INIS)

Wong, G

2009-01-01

Traditional broadband imaging involves the digital representation of a remote scene within a reduced colour space. Hyperspectral imaging exploits the full spectral dimension, which better reflects the continuous nature of actual spectra. Conventional techniques are all time-delayed whereby spatial or spectral scanning is required for hypercube generation. An innovative and patented technique developed at Heriot-Watt University offers significant potential as a snapshot sensor, to enable benefits for the wider public beyond aerospace imaging. This student-authored paper seeks to promote awareness of this field within the photonic community and its potential advantages for real-time practical applications.

An IR investigation of solid amorphous ethanol - Spectra, properties, and phase changes

Science.gov (United States)

Hudson, Reggie L.

2017-12-01

Mid- and far-infrared spectra of condensed ethanol (CH3CH2OH) at 10-160 K are presented, with a special focus on amorphous ethanol, the form of greatest astrochemical interest, and with special attention given to changes at 155-160 K. Infrared spectra of amorphous and crystalline forms are shown. The refractive index at 670 nm of amorphous ethanol at 16 K is reported, along with three IR band strengths and a density. A comparison is made to recent work on the isoelectronic compound ethanethiol (CH3CH2SH), and several astrochemical applications are suggested for future study.

Generate floor response spectra, Part 2: Response spectra for equipment-structure resonance

International Nuclear Information System (INIS)

Li, Bo; Jiang, Wei; Xie, Wei-Chau; Pandey, Mahesh D.

2015-01-01

Highlights: • The concept of tRS is proposed to deal with tuning of equipment and structures. • Established statistical approaches for estimating tRS corresponding to given GRS. • Derived a new modal combination rule from the theory of random vibration. • Developed efficient and accurate direct method for generating floor response spectra. - Abstract: When generating floor response spectra (FRS) using the direct spectra-to-spectra method developed in the companion paper, probability distribution of t-response spectrum (tRS), which deals with equipment-structure resonance or tuning, corresponding to a specified ground response spectrum (GRS) is required. In this paper, simulation results using a large number of horizontal and vertical ground motions are employed to establish statistical relationships between tRS and GRS. It is observed that the influence of site conditions on horizontal statistical relationships is negligible, whereas the effect of site conditions on vertical statistical relationships cannot be ignored. Considering the influence of site conditions, horizontal statistical relationship suitable for all site conditions and vertical statistical relationships suitable for hard sites and soft sites, respectively, are established. The horizontal and vertical statistical relationships are suitable to estimate tRS for design spectra in USNRC R.G. 1.60 and NUREG/CR-0098, Uniform Hazard Spectra (UHS) in Western North America (WNA), or any GRS falling inside the valid coverage of the statistical relationship. For UHS with significant high frequency spectral accelerations, such as UHS in Central and Eastern North America (CENA), an amplification ratio method is proposed to estimate tRS. Numerical examples demonstrate that the statistical relationships and the amplification ratio method are acceptable to estimate tRS for given GRS and to generate FRS using the direct method in different practical situations.

Generate floor response spectra, Part 2: Response spectra for equipment-structure resonance

Energy Technology Data Exchange (ETDEWEB)

Li, Bo, E-mail: b68li@uwaterloo.ca; Jiang, Wei, E-mail: w46jiang@uwaterloo.ca; Xie, Wei-Chau, E-mail: xie@uwaterloo.ca; Pandey, Mahesh D., E-mail: mdpandey@uwaterloo.ca

2015-11-15

Highlights: • The concept of tRS is proposed to deal with tuning of equipment and structures. • Established statistical approaches for estimating tRS corresponding to given GRS. • Derived a new modal combination rule from the theory of random vibration. • Developed efficient and accurate direct method for generating floor response spectra. - Abstract: When generating floor response spectra (FRS) using the direct spectra-to-spectra method developed in the companion paper, probability distribution of t-response spectrum (tRS), which deals with equipment-structure resonance or tuning, corresponding to a specified ground response spectrum (GRS) is required. In this paper, simulation results using a large number of horizontal and vertical ground motions are employed to establish statistical relationships between tRS and GRS. It is observed that the influence of site conditions on horizontal statistical relationships is negligible, whereas the effect of site conditions on vertical statistical relationships cannot be ignored. Considering the influence of site conditions, horizontal statistical relationship suitable for all site conditions and vertical statistical relationships suitable for hard sites and soft sites, respectively, are established. The horizontal and vertical statistical relationships are suitable to estimate tRS for design spectra in USNRC R.G. 1.60 and NUREG/CR-0098, Uniform Hazard Spectra (UHS) in Western North America (WNA), or any GRS falling inside the valid coverage of the statistical relationship. For UHS with significant high frequency spectral accelerations, such as UHS in Central and Eastern North America (CENA), an amplification ratio method is proposed to estimate tRS. Numerical examples demonstrate that the statistical relationships and the amplification ratio method are acceptable to estimate tRS for given GRS and to generate FRS using the direct method in different practical situations.

Is candlestick continuation patterns applicable in Malaysian stock market?

Directory of Open Access Journals (Sweden)

Chin Chee-Ling

2017-01-01

Full Text Available Technical analysis is deemed to be an anathema to the modern finance theory as it contradicts with the efficient market hypothesis, typically the weak form market efficiency which forbids the utilization of past prices and trading volume data to predict future market movement. However, the technical indicator of candlestick trading strategy is widely applied by traders for short term investment. This study thus investigates on the predictive power of candlestick charting which concentrates on the application of continuation patterns in Malaysian stock market from 2000 to 2014. Skewness adjusted t-test is employed to test the statistical significance of candlesticks’ profitability. After taking into account the transaction costs, sub-sample, and out-of-sample test, the findings show that only Falling Window pattern after a prevailing downtrend shows predictive power with bearish signals indicated significantly during the 5-day holding period.

77 FR 27486 - Notice of Continuance for General Clearance for Guidelines, Applications and Reporting Forms

Science.gov (United States)

2012-05-10

... Guidelines, Applications and Reporting Forms AGENCY: Institute of Museum and Library Services, National.... SUMMARY: The Institute of Museum and Library Services (IMLS), as part of its continuing effort to reduce... proposed collection of information is necessary for the proper performance of the functions of the agency...

Spectra of alkali atoms

International Nuclear Information System (INIS)

Santoso, Budi; Arumbinang, Haryono.

1981-01-01

Emission spectra of alkali atoms has been determined by using spectrometer at the ultraviolet to infra red waves range. The spectra emission can be obtained by absorption spectrophotometric analysis. Comparative evaluations between experimental data and data handbook obtained by spark method were also presented. (author tr.)

Exact analytical solutions of continuity equation for electron beams precipitating in Coulomb collisions

Energy Technology Data Exchange (ETDEWEB)

Dobranskis, R. R.; Zharkova, V. V., E-mail: valentina.zharkova@northumbria.ac.uk [Department of Mathematics and Information Sciences, University of Northumbria, Newcastle upon Tyne NE1 2XP (United Kingdom)

2014-06-10

The original continuity equation (CE) used for the interpretation of the power law energy spectra of beam electrons in flares was written and solved for an electron beam flux while ignoring an additional free term with an electron density. In order to remedy this omission, the original CE for electron flux, considering beam's energy losses in Coulomb collisions, was first differentiated by the two independent variables: depth and energy leading to partial differential equation for an electron beam density instead of flux with the additional free term. The analytical solution of this partial differential continuity equation (PDCE) is obtained by using the method of characteristics. This solution is further used to derive analytical expressions for mean electron spectra for Coulomb collisions and to carry out numeric calculations of hard X-ray (HXR) photon spectra for beams with different parameters. The solutions revealed a significant departure of electron densities at lower energies from the original results derived from the CE for the flux obtained for Coulomb collisions. This departure is caused by the additional exponential term that appeared in the updated solutions for electron differential density leading to its faster decrease at lower energies (below 100 keV) with every precipitation depth similar to the results obtained with numerical Fokker-Planck solutions. The effects of these updated solutions for electron densities on mean electron spectra and HXR photon spectra are also discussed.

Exclusion Statistics in Conformal Field Theory Spectra

International Nuclear Information System (INIS)

Schoutens, K.

1997-01-01

We propose a new method for investigating the exclusion statistics of quasiparticles in conformal field theory (CFT) spectra. The method leads to one-particle distribution functions, which generalize the Fermi-Dirac distribution. For the simplest SU(n) invariant CFTs we find a generalization of Gentile parafermions, and we obtain new distributions for the simplest Z N -invariant CFTs. In special examples, our approach reproduces distributions based on 'fractional exclusion statistics' in the sense of Haldane. We comment on applications to fractional quantum Hall effect edge theories. copyright 1997 The American Physical Society

Reconstruction of neutron spectra through neural networks

International Nuclear Information System (INIS)

Vega C, H.R.; Hernandez D, V.M.; Manzanares A, E.

2003-01-01

A neural network has been used to reconstruct the neutron spectra starting from the counting rates of the detectors of the Bonner sphere spectrophotometric system. A group of 56 neutron spectra was selected to calculate the counting rates that would produce in a Bonner sphere system, with these data and the spectra it was trained the neural network. To prove the performance of the net, 12 spectra were used, 6 were taken of the group used for the training, 3 were obtained of mathematical functions and those other 3 correspond to real spectra. When comparing the original spectra of those reconstructed by the net we find that our net has a poor performance when reconstructing monoenergetic spectra, this attributes it to those characteristic of the spectra used for the training of the neural network, however for the other groups of spectra the results of the net are appropriate with the prospective ones. (Author)

Applications of a fast, continuous wavelet transform

Energy Technology Data Exchange (ETDEWEB)

Dress, W.B.

1997-02-01

A fast, continuous, wavelet transform, based on Shannon`s sampling theorem in frequency space, has been developed for use with continuous mother wavelets and sampled data sets. The method differs from the usual discrete-wavelet approach and the continuous-wavelet transform in that, here, the wavelet is sampled in the frequency domain. Since Shannon`s sampling theorem lets us view the Fourier transform of the data set as a continuous function in frequency space, the continuous nature of the functions is kept up to the point of sampling the scale-translation lattice, so the scale-translation grid used to represent the wavelet transform is independent of the time- domain sampling of the signal under analysis. Computational cost and nonorthogonality aside, the inherent flexibility and shift invariance of the frequency-space wavelets has advantages. The method has been applied to forensic audio reconstruction speaker recognition/identification, and the detection of micromotions of heavy vehicles associated with ballistocardiac impulses originating from occupants` heart beats. Audio reconstruction is aided by selection of desired regions in the 2-D representation of the magnitude of the transformed signal. The inverse transform is applied to ridges and selected regions to reconstruct areas of interest, unencumbered by noise interference lying outside these regions. To separate micromotions imparted to a mass-spring system (e.g., a vehicle) by an occupants beating heart from gross mechanical motions due to wind and traffic vibrations, a continuous frequency-space wavelet, modeled on the frequency content of a canonical ballistocardiogram, was used to analyze time series taken from geophone measurements of vehicle micromotions. By using a family of mother wavelets, such as a set of Gaussian derivatives of various orders, features such as the glottal closing rate and word and phrase segmentation may be extracted from voice data.

Modeling of A-DLTS Spectra of MOS Structures

Directory of Open Access Journals (Sweden)

Peter Hockicko

2008-01-01

Full Text Available Acquisition of basic characteristic of defects has become possible through a wide class of measurement techniqueswhich probe the interface, the near interface, as well as the bulk of semiconductor. Results presented here are basedessentially on the acoustic version of Deep Level Transient Spectroscopy (A-DLTS measurements. This method is based onthe acoustoelectric response effect observed at the interface. The A-DLTS uses the acoustoelectric response signal (ARSproduced by MOS structure interface when a longitudal acoustic wave propagates through a structure. The ARS is extremelysensitive to external conditions of the structure and reflects any changes in the charge distribution connected with chargedtraps. The temperature dependence of ARS after bias voltage step application is investigated and the activation energies andsome other parameters of traps at the insulator – semiconductor interface are determined. The results obtained formArrhenius plots of A-DLTS spectra of selected MOS structures are compared with results obtained from modeling of ADLTS spectra using theoretical model.

Accurate First-Principles Spectra Predictions for Planetological and Astrophysical Applications at Various T-Conditions

Science.gov (United States)

Rey, M.; Nikitin, A. V.; Tyuterev, V.

2014-06-01

Knowledge of near infrared intensities of rovibrational transitions of polyatomic molecules is essential for the modeling of various planetary atmospheres, brown dwarfs and for other astrophysical applications 1,2,3. For example, to analyze exoplanets, atmospheric models have been developed, thus making the need to provide accurate spectroscopic data. Consequently, the spectral characterization of such planetary objects relies on the necessity of having adequate and reliable molecular data in extreme conditions (temperature, optical path length, pressure). On the other hand, in the modeling of astrophysical opacities, millions of lines are generally involved and the line-by-line extraction is clearly not feasible in laboratory measurements. It is thus suggested that this large amount of data could be interpreted only by reliable theoretical predictions. There exists essentially two theoretical approaches for the computation and prediction of spectra. The first one is based on empirically-fitted effective spectroscopic models. Another way for computing energies, line positions and intensities is based on global variational calculations using ab initio surfaces. They do not yet reach the spectroscopic accuracy stricto sensu but implicitly account for all intramolecular interactions including resonance couplings in a wide spectral range. The final aim of this work is to provide reliable predictions which could be quantitatively accurate with respect to the precision of available observations and as complete as possible. All this thus requires extensive first-principles quantum mechanical calculations essentially based on three necessary ingredients which are (i) accurate intramolecular potential energy surface and dipole moment surface components well-defined in a large range of vibrational displacements and (ii) efficient computational methods combined with suitable choices of coordinates to account for molecular symmetry properties and to achieve a good numerical

Global Learning Spectral Archive- A new Way to deal with Unknown Urban Spectra -

Science.gov (United States)

Jilge, M.; Heiden, U.; Habermeyer, M.; Jürgens, C.

2015-12-01

Rapid urbanization processes and the need of identifying urban materials demand urban planners and the remote sensing community since years. Urban planners cannot overcome the issue of up-to-date information of urban materials due to time-intensive fieldwork. Hyperspectral remote sensing can facilitate this issue by interpreting spectral signals to provide information of occurring materials. However, the complexity of urban areas and the occurrence of diverse urban materials vary due to regional and cultural aspects as well as the size of a city, which makes identification of surface materials a challenging analysis task. For the various surface material identification approaches, spectral libraries containing pure material spectra are commonly used, which are derived from field, laboratory or the hyperspectral image itself. One of the requirements for successful image analysis is that all spectrally different surface materials are represented by the library. Currently, a universal library, applicable in every urban area worldwide and taking each spectral variability into account, is and will not be existent. In this study, the issue of unknown surface material spectra and the demand of an urban site-specific spectral library is tackled by the development of a learning spectral archive tool. Starting with an incomplete library of labelled image spectra from several German cities, surface materials of pure image pixels will be identified in a hyperspectral image based on a similarity measure (e.g. SID-SAM). Additionally, unknown image spectra of urban objects are identified based on an object- and spectral-based-rule set. The detected unknown surface material spectra are entered with additional metadata, such as regional occurrence into the existing spectral library and thus, are reusable for further studies. Our approach is suitable for pure surface material detection of urban hyperspectral images that is globally applicable by taking incompleteness into account

An RGB approach to extraordinary spectra

Science.gov (United States)

Grusche, Sascha; Theilmann, Florian

2015-09-01

After Newton had explained a series of ordinary spectra and Goethe had pointed out its complementary counterpart, Nussbaumer discovered a series of extraordinary spectra which are geometrically identical and colourwise analogous to Newton’s and Goethe’s spectra. To understand the geometry and colours of extraordinary spectra, the wavelength composition is explored with filters and spectroscopic setups. Visualized in a dispersion diagram, the wavelength composition is interpreted in terms of additive colour mixing. Finally, all spectra are simulated as the superposition of red, green, and blue images that are shifted apart. This RGB approach makes it easy to understand the complex relationship between wavelengths and colours.

Improving interpretation of infrared spectra for OM characterization by subtraction of spectra from incinerated samples

Science.gov (United States)

Ellerbrock, Ruth H.; Gerke, Horst H.; Leue, Martin

2017-04-01

Non-destructive methods such as diffuse reflectance infrared Fourier transform spectroscopy (DRIFT) have been applied to characterize organic matter (OM) at intact structural surfaces among others. However, it is often difficult to distinguish effects of organic components on DRIFT signal intensities from those of mineral components. The objective of this study was to re-evaluate DRIFT spectra from intact earthworm burrow walls and coated cracks to improve the interpretation of C-H and C=O bands. We compared DRIFT and transmission Fourier transform infrared (FTIR) spectra of entire samples that were from the same pedogenetic soil horizon, but different in mineral composition and texture (i.e., glacial till versus loess). Spectra of incinerated samples were subtracted from the original spectra. Transmission FTIR and DRIFT spectra were almost identical for entire soil samples. However, the DRIFT spectra were affected by the bulk mode bands (i.e., wavenumbers 2000 to 1700 cm-1) that affected spectral resolution and reproducibility. The ratios between C-H and C=O band intensities as indicator for OM quality obtained with DRIFT were smaller than those obtained from transmission FTIR. A spectral subtraction procedure was found to reduce effects of mineral absorption bands on DRIFT spectra allowing an improved interpretation. DRIFT spectroscopy as a non-destructive method for analyzing OM composition at intact surfaces in structured soils could be calibrated with information obtained with the more detailed transmission FTIR and complementary methods.

AN EMPIRICAL METHOD FOR IMPROVING THE QUALITY OF RXTE HEXTE SPECTRA

Energy Technology Data Exchange (ETDEWEB)

Garcia, Javier A.; Steiner, James F.; McClintock, Jeffrey E. [Harvard-Smithsonian Center for Astrophysics, 60 Garden St., Cambridge, MA 02138 (United States); Grinberg, Victoria [MIT Kavli Institute for Astrophysics and Space Research, MIT, 70 Vassar Street, Cambridge, MA 02139 (United States); Pottschmidt, Katja [Department of Physics and Center for Space Science and Technology, UMBC, Baltimore, MD 21250 (United States); Rothschild, Richard E., E-mail: javier@head.cfa.harvard.edu, E-mail: jem@cfa.harvard.edu, E-mail: jsteiner@mit.edu, E-mail: grinberg@space.mit.edu, E-mail: katja@milkyway.gsfc.nasa.gov, E-mail: rrothschild@ucsd.edu [Center for Astrophysics and Space Sciences, University of California at San Diego, La Jolla, CA (United States)

2016-03-01

We have developed a correction tool to improve the quality of Rossi X-ray Timing Explorer (RXTE) High Energy X-ray Timing Experiment (HEXTE) spectra by employing the same method we used earlier to improve the quality of RXTE Proportional Counter Array (PCA) spectra. We fit all of the hundreds of HEXTE spectra of the Crab individually to a simple power-law model, some 37 million counts in total for Cluster A and 39 million counts for Cluster B, and we create for each cluster a combined spectrum of residuals. We find that the residual spectrum of Cluster A is free of instrumental artifacts while that of Cluster B contains significant features with amplitudes ∼1%; the most prominent is in the energy range 30–50 keV, which coincides with the iodine K edge. Starting with the residual spectrum for Cluster B, via an iterative procedure we created the calibration tool hexBcorr for correcting any Cluster B spectrum of interest. We demonstrate the efficacy of the tool by applying it to Cluster B spectra of two bright black holes, which contain several million counts apiece. For these spectra, application of the tool significantly improves the goodness of fit, while affecting only slightly the broadband fit parameters. The tool may be important for the study of spectral features, such as cyclotron lines, a topic that is beyond the scope of this paper.

Analysis of electron spin resonance spectra of irradiated gingers: Organic radical components derived from carbohydrates

International Nuclear Information System (INIS)

Yamaoki, Rumi; Kimura, Shojiro; Ohta, Masatoshi

2010-01-01

Electron spin resonance (ESR) spectral characterizations of gingers irradiated with electron beam were studied. Complex asymmetrical spectra (near g=2.005) with major spectral components (line width=2.4 mT) and minor signals (at 6 mT apart) were observed in irradiated gingers. The spectral intensity decreased considerably 30 days after irradiation, and continued to decrease steadily thereafter. The spectra simulated on the basis of characteristics of free radical components derived from carbohydrates in gingers are in good agreement with the observed spectra. Analysis showed that shortly after irradiation the major radical components of gingers were composed of radical species derived from amylose and cellulose, and the amylose radicals subsequently decreased considerably. At 30 days after irradiation, the major radical components of gingers were composed of radical species derived from cellulose, glucose, fructose or sucrose.

Development of potent in vivo mutagenesis plasmids with broad mutational spectra.

Science.gov (United States)

Badran, Ahmed H; Liu, David R

2015-10-07

Methods to enhance random mutagenesis in cells offer advantages over in vitro mutagenesis, but current in vivo methods suffer from a lack of control, genomic instability, low efficiency and narrow mutational spectra. Using a mechanism-driven approach, we created a potent, inducible, broad-spectrum and vector-based mutagenesis system in E. coli that enhances mutation 322,000-fold over basal levels, surpassing the mutational efficiency and spectra of widely used in vivo and in vitro methods. We demonstrate that this system can be used to evolve antibiotic resistance in wild-type E. coli in mutagenesis of chromosomes, episomes and viruses in vivo, and are applicable to both bacterial and bacteriophage-mediated laboratory evolution platforms.

Observed and theoretical spectra in the 10-100 A interval. [of solar spectra

Science.gov (United States)

Brown, W. A.; Bruner, M. E.; Acton, L. W.

1988-01-01

The soft X-ray spectra recorded in two sounding-rocket flights in 1982 and 1985 are compared with predicted spectra. The processed densitometer trace of the full spectrum is presented, together with the new spectrum from the 1985 experiment. The intensities of the lines are then compared with predictions.

Multisatellite systems with linear structure and their application for continuous coverage of the earth

Science.gov (United States)

Saulskiy, V. K.

2005-01-01

Multisatellite systems with linear structure (SLS) are defined, and their application for a continuous global or zonal coverage of the Earth’s surface is justified. It is demonstrated that in some cases these systems turned out to be better than usually recommended kinematically regular systems by G.V. Mozhaev, delta systems of J.G. Walker, and polar systems suggested by F.W. Gobets, L. Rider, and W.S. Adams. When a comparison is made using the criterion of a minimum radius of one-satellite coverage circle, the SLS beat the other systems for the majority of satellite numbers from the range 20 63, if the global continuous single coverage of the Earth is required. In the case of a zonal continuous single coverage of the latitude belt ±65°, the SLS are preferable at almost all numbers of satellites from 38 to 100, and further at any values up to 200 excluding 144.

Application of GM counters in the continuous monitoring of the environment

International Nuclear Information System (INIS)

Deme, S.

1978-01-01

Around critical nuclear facilities environmental control systems giving continuous information about given spots are applied. Both the fission products and the closed radiation sources released from the facilities can be most efficiently detected by their γ-radiation. From various aspects, the GM-counters proved to be the most suitable detectors for such purposes. Some questions concerning its application are discussed in more detail. The control system elaborated in the Central Research Institute of Physics contains three parallel GM-counters, a ratemeter, a scaler and a printer attached to it. High power can be centrally or locally supplied. In case of more than four measuring channels the application of a simple data collecting equipment with common electronic units is advisable. Programmable data collectors are used when alarm signals are required above a specified level. The dependence of the minimum of the detectable increase of dose rate on several parameters of the measuring system, involving the duration of the measuring cycle are discussed emphasizing the advantages of reversive scelers. (V.N.)

Application of the equivalent radiator method for radiative corrections to the spectra of elastic electron scattering by nuclei

Directory of Open Access Journals (Sweden)

I. S. Timchenko

2015-07-01

Full Text Available For calculating the radiative tails in the spectra of inelastic electron scattering by nuclei, the approximation, namely, the equivalent radiator method (ERM, is used. However, the applicability of this method for evaluating the radiative tail from the elastic scattering peak has been little investigated, and therefore, it has become the subject of the present study for the case of light nuclei. As a result, spectral regions were found, where a significant discrepancy between the ERM calculation and the exact-formula calculation was observed. A link was established between this phenomenon and the diffraction minimum of the squared form-factor of the nuclear ground state. Varieties of calculations were carried out for different kinematics of electron scattering by nuclei. The analysis of the calculation results has shown the conditions, at which the equivalent radiator method can be applied for adequately evaluating the radiative tail of the elastic scattering peak.

Backward jump continuous-time random walk: An application to market trading

Science.gov (United States)

Gubiec, Tomasz; Kutner, Ryszard

2010-10-01

The backward jump modification of the continuous-time random walk model or the version of the model driven by the negative feedback was herein derived for spatiotemporal continuum in the context of a share price evolution on a stock exchange. In the frame of the model, we described stochastic evolution of a typical share price on a stock exchange with a moderate liquidity within a high-frequency time scale. The model was validated by satisfactory agreement of the theoretical velocity autocorrelation function with its empirical counterpart obtained for the continuous quotation. This agreement is mainly a result of a sharp backward correlation found and considered in this article. This correlation is a reminiscence of such a bid-ask bounce phenomenon where backward price jump has the same or almost the same length as preceding jump. We suggested that this correlation dominated the dynamics of the stock market with moderate liquidity. Although assumptions of the model were inspired by the market high-frequency empirical data, its potential applications extend beyond the financial market, for instance, to the field covered by the Le Chatelier-Braun principle of contrariness.

High cell density cultures produced by internal retention: application in continuous ethanol fermentation

Directory of Open Access Journals (Sweden)

Berta Carola Pérez

2004-07-01

Full Text Available Ethanol has provoked great interest due to its potential as an alternative fuel. Nevertheless, fermentation processes must be developed by increasing the low volumetric productivity achieved in conventional cultures (batch or continuous to make this product become economically competitive. This can be achieved by using techniques leading to high cell concentration and reducing inhibition by the end-product. One of the frequently employed methods involves cell recycling. This work thus developed a membrane reactor incorporating a filtration module with 5 u,m stainless steel tubular units inside a 3L stirred jar fermenter for investigating its application in continuous ethanol production. The effects of cell concentration and transmembrane pressure difference on permeate flux were evaluated for testing the filtration module's performance. The internal cell retention system was operated in Saccharomyces cerevisiae continuous culture derived from sucrose, once fermentation conditions had been selected (30 °C, 1.25 -1.75 vvm, pH 4.5. Filter unit permeability was maintained by applying pulses of air. More than 97% of the grown cells were retained in the fermenter, reaching 51 g/L cell concentration and 8.51 g/L.h average ethanol productivity in culture with internal cell retention; this was twice that obtained in a conventional continuous culture. Key words: Membrane reactor, Saccharomyces cerevisiae, alcoholic fermentation, cell recycling.

Sulfur Speciation of Crude Oils by Partial Least Squares Regression Modeling of Their Infrared Spectra

NARCIS (Netherlands)

de Peinder, P.; Visser, T.; Wagemans, R.W.P.; Blomberg, J.; Chaabani, H.; Soulimani, F.; Weckhuysen, B.M.

2013-01-01

Research has been carried out to determine the feasibility of partial least-squares regression (PLS) modeling of infrared (IR) spectra of crude oils as a tool for fast sulfur speciation. The study is a continuation of a previously developed method to predict long and short residue properties of

Machine learning molecular dynamics for the simulation of infrared spectra.

Science.gov (United States)

Gastegger, Michael; Behler, Jörg; Marquetand, Philipp

2017-10-01

Machine learning has emerged as an invaluable tool in many research areas. In the present work, we harness this power to predict highly accurate molecular infrared spectra with unprecedented computational efficiency. To account for vibrational anharmonic and dynamical effects - typically neglected by conventional quantum chemistry approaches - we base our machine learning strategy on ab initio molecular dynamics simulations. While these simulations are usually extremely time consuming even for small molecules, we overcome these limitations by leveraging the power of a variety of machine learning techniques, not only accelerating simulations by several orders of magnitude, but also greatly extending the size of systems that can be treated. To this end, we develop a molecular dipole moment model based on environment dependent neural network charges and combine it with the neural network potential approach of Behler and Parrinello. Contrary to the prevalent big data philosophy, we are able to obtain very accurate machine learning models for the prediction of infrared spectra based on only a few hundreds of electronic structure reference points. This is made possible through the use of molecular forces during neural network potential training and the introduction of a fully automated sampling scheme. We demonstrate the power of our machine learning approach by applying it to model the infrared spectra of a methanol molecule, n -alkanes containing up to 200 atoms and the protonated alanine tripeptide, which at the same time represents the first application of machine learning techniques to simulate the dynamics of a peptide. In all of these case studies we find an excellent agreement between the infrared spectra predicted via machine learning models and the respective theoretical and experimental spectra.

Independent component analysis classification of laser induced breakdown spectroscopy spectra

International Nuclear Information System (INIS)

Forni, Olivier; Maurice, Sylvestre; Gasnault, Olivier; Wiens, Roger C.; Cousin, Agnès; Clegg, Samuel M.; Sirven, Jean-Baptiste; Lasue, Jérémie

2013-01-01

The ChemCam instrument on board Mars Science Laboratory (MSL) rover uses the laser-induced breakdown spectroscopy (LIBS) technique to remotely analyze Martian rocks. It retrieves spectra up to a distance of seven meters to quantify and to quantitatively analyze the sampled rocks. Like any field application, on-site measurements by LIBS are altered by diverse matrix effects which induce signal variations that are specific to the nature of the sample. Qualitative aspects remain to be studied, particularly LIBS sample identification to determine which samples are of interest for further analysis by ChemCam and other rover instruments. This can be performed with the help of different chemometric methods that model the spectra variance in order to identify a the rock from its spectrum. In this paper we test independent components analysis (ICA) rock classification by remote LIBS. We show that using measures of distance in ICA space, namely the Manhattan and the Mahalanobis distance, we can efficiently classify spectra of an unknown rock. The Mahalanobis distance gives overall better performances and is easier to manage than the Manhattan distance for which the determination of the cut-off distance is not easy. However these two techniques are complementary and their analytical performances will improve with time during MSL operations as the quantity of available Martian spectra will grow. The analysis accuracy and performances will benefit from a combination of the two approaches. - Highlights: • We use a novel independent component analysis method to classify LIBS spectra. • We demonstrate the usefulness of ICA. • We report the performances of the ICA classification. • We compare it to other classical classification schemes

Quantitative analysis of directional spontaneous emission spectra from light sources in photonic crystals

International Nuclear Information System (INIS)

Nikolaev, Ivan S.; Lodahl, Peter; Vos, Willem L.

2005-01-01

We have performed angle-resolved measurements of spontaneous-emission spectra from laser dyes and quantum dots in opal and inverse opal photonic crystals. Pronounced directional dependencies of the emission spectra are observed: angular ranges of strongly reduced emission adjoin with angular ranges of enhanced emission. It appears that emission from embedded light sources is affected both by the periodicity and by the structural imperfections of the crystals: the photons are Bragg diffracted by lattice planes and scattered by unavoidable structural disorder. Using a model comprising diffuse light transport and photonic band structure, we quantitatively explain the directional emission spectra. This work provides detailed understanding of the transport of spontaneously emitted light in real photonic crystals, which is essential in the interpretation of quantum optics in photonic-band-gap crystals and for applications wherein directional emission and total emission power are controlled

Preparation of continuous alumina gel fibres by aqueous sol–gel ...

Indian Academy of Sciences (India)

Abstract. Continuous alumina gel fibres were prepared by sol–gel method. The spinning sol was prepared by mixing aluminum nitrate, lactic acid and polyvinylpyrrolidone with a mass ratio of 10:3:1·5. Thermogravimetry– differential scanning calorimetry (TG–DSC), Fourier transform infrared (FTIR) spectra, X-ray diffraction ...

Simulations of absorption spectra of conjugated oligomers: role of planar conformation and aggregation in condensed phase

Science.gov (United States)

Yuan, Xiang-Ai; Wen, Jin; Zheng, Dong; Ma, Jing

2018-04-01

This Review highlights the structure/property relationship underlying the morphology modulation through various factors towards the exploration of light-absorbing materials for efficient utilisation of solar power. Theoretical study using a combination of molecular dynamics imulations and the time-dependent density functional theory demonstrated that the planarity plays an important role in tuning spectral properties of oligomer aggregates. The aggregation-induced blue-shift in absorption spectra of oligothiophenes and the red-shift for oligofluorenols were rationalised in a unified way from the reduced (and increased) content of planar conformations in molecular aggregates. The planarity versus non-planarity of oligomers can be modulated by introduction of alkyl side chain or steric bulky substituents. The substitution with various groups in the ortho-position of azobenzene leads to the distorted backbone, breaking symmetry, and hence the red-shift in spectra, expanding the application in biological systems with visible light absorption. The donor-acceptor substituent groups in conjugated oligomers can increase the degree of planarity, electron delocalisation and polarisation, and charge separation, giving rise to the red-shift in spectra and enhancement in polarisability and charge mobility for device applications. The solvent dependent and pH-sensitive properties and intramolecular hydrogen bonds also caused the shift of absorption spectra with the appearance of planar conformers.

On a comprehensive evaluation of Moessbauer hyperfine spectra measured on different types of magnetic nanoparticles

International Nuclear Information System (INIS)

Kraken, Mathias

2014-01-01

Magnetic nanoparticles (MNPs) nowadays have a wide variety of applications that are mostly based on the fact that MNPs below a critical size consist of only a single magnetic domain. The big magnetic moments of these MNPs may fluctuate, driven by thermal excitations and controlled by magnetic anisotropies and interparticle interactions. Successful applications go along with a good control of the properties of the MNPs, which requires detailed knowledge about the preparation process and a proper characterization. These are the main topics this thesis deals with. First, the characterization of the MNPs using Moessbauer spectroscopy is discussed. Despite it is a standard method in research on iron-based MNPs, most publications only present a qualitative discussion of measurements, since available analysis models for dynamic hyperfine spectra are not capable of a satisfying description. Here, a modified version of an established model is presented, which proved to be applicable to the majority of hyperfine spectra and allows deriving detailed microscopic information about magnetic fluctuations on nanoscale. This model is succesfully used, to study the preparation of MNPs with the so-called non-aqueous sol-gel method (a cooperation with the Institut fuer Partikeltechnik, Technische Universitaet Braunschweig). In the last part of the thesis, a model is developed that describes the Moessbauer spectra of magnetically fluctuating iron clusters in different non-magnetic metallic matrices (silver and ytterbium). This part is based on a cooperation with the Centro Brasileiro de Pesquisas Fisicas, Rio de Janeiro, Brasil. The results of this thesis present possibilities for a detailed quantitative analysis of the magnetic dynamics derived from Moessbauer spectra measured on iron-based MNPs and nanoscale clusters.

Design energy spectra for Turkey

OpenAIRE

López Almansa, Francisco; Yazgan, Ahmet Utku; Benavent Climent, Amadeo

2012-01-01

This work proposes design energy spectra in terms of velocity, derived through linear dynamic analyses on Turkish registers and intended for regions with design peak acceleration 0.3 g or higher. In the long and mid period ranges the analyses are linear, taking profit of the rather insensitivity of the spectra to the structural parameters other than the fundamental period; in the short period range, the spectra are more sensitive to the structural parameters and nonlinear analyses would be re...

Median Modified Wiener Filter for nonlinear adaptive spatial denoising of protein NMR multidimensional spectra

KAUST Repository

Cannistraci, Carlo Vittorio

2015-01-26

Denoising multidimensional NMR-spectra is a fundamental step in NMR protein structure determination. The state-of-the-art method uses wavelet-denoising, which may suffer when applied to non-stationary signals affected by Gaussian-white-noise mixed with strong impulsive artifacts, like those in multi-dimensional NMR-spectra. Regrettably, Wavelet\\'s performance depends on a combinatorial search of wavelet shapes and parameters; and multi-dimensional extension of wavelet-denoising is highly non-trivial, which hampers its application to multidimensional NMR-spectra. Here, we endorse a diverse philosophy of denoising NMR-spectra: less is more! We consider spatial filters that have only one parameter to tune: the window-size. We propose, for the first time, the 3D extension of the median-modified-Wiener-filter (MMWF), an adaptive variant of the median-filter, and also its novel variation named MMWF*. We test the proposed filters and the Wiener-filter, an adaptive variant of the mean-filter, on a benchmark set that contains 16 two-dimensional and three-dimensional NMR-spectra extracted from eight proteins. Our results demonstrate that the adaptive spatial filters significantly outperform their non-adaptive versions. The performance of the new MMWF* on 2D/3D-spectra is even better than wavelet-denoising. Noticeably, MMWF* produces stable high performance almost invariant for diverse window-size settings: this signifies a consistent advantage in the implementation of automatic pipelines for protein NMR-spectra analysis.

Median Modified Wiener Filter for nonlinear adaptive spatial denoising of protein NMR multidimensional spectra

KAUST Repository

Cannistraci, Carlo Vittorio; Abbas, Ahmed; Gao, Xin

2015-01-01

Denoising multidimensional NMR-spectra is a fundamental step in NMR protein structure determination. The state-of-the-art method uses wavelet-denoising, which may suffer when applied to non-stationary signals affected by Gaussian-white-noise mixed with strong impulsive artifacts, like those in multi-dimensional NMR-spectra. Regrettably, Wavelet's performance depends on a combinatorial search of wavelet shapes and parameters; and multi-dimensional extension of wavelet-denoising is highly non-trivial, which hampers its application to multidimensional NMR-spectra. Here, we endorse a diverse philosophy of denoising NMR-spectra: less is more! We consider spatial filters that have only one parameter to tune: the window-size. We propose, for the first time, the 3D extension of the median-modified-Wiener-filter (MMWF), an adaptive variant of the median-filter, and also its novel variation named MMWF*. We test the proposed filters and the Wiener-filter, an adaptive variant of the mean-filter, on a benchmark set that contains 16 two-dimensional and three-dimensional NMR-spectra extracted from eight proteins. Our results demonstrate that the adaptive spatial filters significantly outperform their non-adaptive versions. The performance of the new MMWF* on 2D/3D-spectra is even better than wavelet-denoising. Noticeably, MMWF* produces stable high performance almost invariant for diverse window-size settings: this signifies a consistent advantage in the implementation of automatic pipelines for protein NMR-spectra analysis.

The method of extraction of subspectra with appreciably different values of hyperfine interaction parameters from Moessbauer spectra

International Nuclear Information System (INIS)

Nemtsova, O.M.

2006-01-01

The task of Moessbauer spectra processing of complex locally inhomogeneous or multi-phase systems is to reveal subspectral contributions with appreciably different values of hyperfine interaction parameters (HFI) in them. A universal method of processing such spectra is suggested which allows to extract the probability density distribution (PDD) of HFI parameters corresponding to the subspectra with essentially different parameters values. The basis of the method is Tikhonov's regularization method with selection for each subspectrum its own value of the regularization parameter. The universal application of the method is demonstrated in the examples of processing real spectra with different sets of subspectral contributions

Cutting Out Continuations

DEFF Research Database (Denmark)

Bahr, Patrick; Hutton, Graham

2016-01-01

In the field of program transformation, one often transforms programs into continuation-passing style to make their flow of control explicit, and then immediately removes the resulting continuations using defunctionalisation to make the programs first-order. In this article, we show how these two...... transformations can be fused together into a single transformation step that cuts out the need to first introduce and then eliminate continuations. Our approach is calculational, uses standard equational reasoning techniques, and is widely applicable....

Interpretation of the Near-IR Spectra of the Kuiper Belt Object

Science.gov (United States)

Eluszkiewicz, Janusz; Cady-Pereira, Karen; Brown, Michael E.; Stansberry, John A.

2007-01-01

Visible and near-IR observations of the Kuiper Belt Object (136472) 2005 FY(9) have indicated the presence of unusually long (1 cm or more) optical path lengths in a layer of methane ice. Using microphysical and radiative transfer modeling, we show that even at the frigid temperatures in the outer reaches of the solar system, a slab of low porosity methane ice can indeed form by pressureless sintering of micron-sized grains, and it can qualitatively reproduce the salient features of the measured spectra. A good semiquantitative match with the near-IR spectra can be obtained with a realistic slab model, provided the spectra are scaled to a visible albedo of 0.6, at the low end of the values currently estimated from Spitzer thermal measurements. Consistent with previous modeling studies, matching spectra scaled to higher albedos requires the incorporation of strong backscattering effects. The albedo may become better constrained through an iterative application of the slab model to the analysis of the thermal measurements from Spitzer and the visible/near-IR reflectance spectra. The slab interpretation offers two falsifiable predictions (1) Absence of an opposition surge, which is commonly attributed to the fluffiness of the optical surface. This prediction is best testable with a spacecraft, as Earth-based observations at true opposition will not be possible until early next century. (2) Unlikelihood of the simultaneous occurrence of very long spectroscopic path lengths in both methane and nitrogen ice on the surface of any Kuiper Belt Object, as the more volatile nitrogen would hinder densification in methane ice.

Analytical Model of Doppler Spectra of Light Backscattered from Rotating Convex Bodies of Revolution in the Global Cartesian Coordinate System

International Nuclear Information System (INIS)

Yan-Jun, Gong; Zhen-Sen, Wu; Jia-Ji, Wu

2009-01-01

We present an analytical model of Doppler spectra in backscattering from arbitrary rough convex bodies of revolution rotating around their axes in the global Cartesian coordinate system. This analytical model is applied to analyse Doppler spectra in backscatter from two cones and two cylinders, as well as two ellipsoids of revolution. We numerically analyse the influences of attitude and geometry size of objects on Doppler spectra. The analytical model can give contribution of the surface roughness, attitude and geometry size of convex bodies of revolution to Doppler spectra and may contribute to laser Doppler velocimetry as well as ladar applications

Neutron irradiation effects in fusion or spallation structural materials: Some recent insights related to neutron spectra

International Nuclear Information System (INIS)

Garner, F.A.; Greenwood, L.R.

1998-01-01

A review is presented of recent insights on the role of transmutation in the development of radiation-induced changes in dimension or radiation-induced changes in physical or mechanical properties. It is shown that, in some materials and some neutron spectra, transmutation can significantly affect or even dominate a given property change process. When the process under study is also sensitive to displacement rate, and especially if it involves radiation-induced segregation and precipitation, it becomes much more difficult to separate the transmutation and displacement rate dependencies. This complicates the application of data derived from 'surrogate' spectra to predictions in other flux-spectra environments. It is also shown in this paper that one must be sensitive to the impact of previously -ignored 'small' variations in neutron spectra within a given reactor. In some materials these small variations have major consequences. (author)

Normal modes and continuous spectra

International Nuclear Information System (INIS)

Balmforth, N.J.; Morrison, P.J.

1994-12-01

The authors consider stability problems arising in fluids, plasmas and stellar systems that contain singularities resulting from wave-mean flow or wave-particle resonances. Such resonances lead to singularities in the differential equations determining the normal modes at the so-called critical points or layers. The locations of the singularities are determined by the eigenvalue of the problem, and as a result, the spectrum of eigenvalues forms a continuum. They outline a method to construct the singular eigenfunctions comprising the continuum for a variety of problems

Application of Allan Deviation to Assessing Uncertainties of Continuous-measurement Instruments, and Optimizing Calibration Schemes

Science.gov (United States)

Jacobson, Gloria; Rella, Chris; Farinas, Alejandro

2014-05-01

Technological advancement of instrumentation in atmospheric and other geoscience disciplines over the past decade has lead to a shift from discrete sample analysis to continuous, in-situ monitoring. Standard error analysis used for discrete measurements is not sufficient to assess and compare the error contribution of noise and drift from continuous-measurement instruments, and a different statistical analysis approach should be applied. The Allan standard deviation analysis technique developed for atomic clock stability assessment by David W. Allan [1] can be effectively and gainfully applied to continuous measurement instruments. As an example, P. Werle et al has applied these techniques to look at signal averaging for atmospheric monitoring by Tunable Diode-Laser Absorption Spectroscopy (TDLAS) [2]. This presentation will build on, and translate prior foundational publications to provide contextual definitions and guidelines for the practical application of this analysis technique to continuous scientific measurements. The specific example of a Picarro G2401 Cavity Ringdown Spectroscopy (CRDS) analyzer used for continuous, atmospheric monitoring of CO2, CH4 and CO will be used to define the basics features the Allan deviation, assess factors affecting the analysis, and explore the time-series to Allan deviation plot translation for different types of instrument noise (white noise, linear drift, and interpolated data). In addition, the useful application of using an Allan deviation to optimize and predict the performance of different calibration schemes will be presented. Even though this presentation will use the specific example of the Picarro G2401 CRDS Analyzer for atmospheric monitoring, the objective is to present the information such that it can be successfully applied to other instrument sets and disciplines. [1] D.W. Allan, "Statistics of Atomic Frequency Standards," Proc, IEEE, vol. 54, pp 221-230, Feb 1966 [2] P. Werle, R. Miicke, F. Slemr, "The Limits

A database application for pre-processing, storage and comparison of mass spectra derived from patients and controls

Directory of Open Access Journals (Sweden)

Sillevis Smitt Peter A

2006-09-01

Full Text Available Abstract Background Statistical comparison of peptide profiles in biomarker discovery requires fast, user-friendly software for high throughput data analysis. Important features are flexibility in changing input variables and statistical analysis of peptides that are differentially expressed between patient and control groups. In addition, integration the mass spectrometry data with the results of other experiments, such as microarray analysis, and information from other databases requires a central storage of the profile matrix, where protein id's can be added to peptide masses of interest. Results A new database application is presented, to detect and identify significantly differentially expressed peptides in peptide profiles obtained from body fluids of patient and control groups. The presented modular software is capable of central storage of mass spectra and results in fast analysis. The software architecture consists of 4 pillars, 1 a Graphical User Interface written in Java, 2 a MySQL database, which contains all metadata, such as experiment numbers and sample codes, 3 a FTP (File Transport Protocol server to store all raw mass spectrometry files and processed data, and 4 the software package R, which is used for modular statistical calculations, such as the Wilcoxon-Mann-Whitney rank sum test. Statistic analysis by the Wilcoxon-Mann-Whitney test in R demonstrates that peptide-profiles of two patient groups 1 breast cancer patients with leptomeningeal metastases and 2 prostate cancer patients in end stage disease can be distinguished from those of control groups. Conclusion The database application is capable to distinguish patient Matrix Assisted Laser Desorption Ionization (MALDI-TOF peptide profiles from control groups using large size datasets. The modular architecture of the application makes it possible to adapt the application to handle also large sized data from MS/MS- and Fourier Transform Ion Cyclotron Resonance (FT-ICR mass

A database application for pre-processing, storage and comparison of mass spectra derived from patients and controls.

Science.gov (United States)

Titulaer, Mark K; Siccama, Ivar; Dekker, Lennard J; van Rijswijk, Angelique L C T; Heeren, Ron M A; Sillevis Smitt, Peter A; Luider, Theo M

2006-09-05

Statistical comparison of peptide profiles in biomarker discovery requires fast, user-friendly software for high throughput data analysis. Important features are flexibility in changing input variables and statistical analysis of peptides that are differentially expressed between patient and control groups. In addition, integration the mass spectrometry data with the results of other experiments, such as microarray analysis, and information from other databases requires a central storage of the profile matrix, where protein id's can be added to peptide masses of interest. A new database application is presented, to detect and identify significantly differentially expressed peptides in peptide profiles obtained from body fluids of patient and control groups. The presented modular software is capable of central storage of mass spectra and results in fast analysis. The software architecture consists of 4 pillars, 1) a Graphical User Interface written in Java, 2) a MySQL database, which contains all metadata, such as experiment numbers and sample codes, 3) a FTP (File Transport Protocol) server to store all raw mass spectrometry files and processed data, and 4) the software package R, which is used for modular statistical calculations, such as the Wilcoxon-Mann-Whitney rank sum test. Statistic analysis by the Wilcoxon-Mann-Whitney test in R demonstrates that peptide-profiles of two patient groups 1) breast cancer patients with leptomeningeal metastases and 2) prostate cancer patients in end stage disease can be distinguished from those of control groups. The database application is capable to distinguish patient Matrix Assisted Laser Desorption Ionization (MALDI-TOF) peptide profiles from control groups using large size datasets. The modular architecture of the application makes it possible to adapt the application to handle also large sized data from MS/MS- and Fourier Transform Ion Cyclotron Resonance (FT-ICR) mass spectrometry experiments. It is expected that the

Different spectra with the same neutron source

International Nuclear Information System (INIS)

Vega C, H. R.; Ortiz R, J. M.; Hernandez D, V. M.; Martinez B, M. R.; Hernandez A, B.; Ortiz H, A. A.; Mercado, G. A.

2010-01-01

Using as source term the spectrum of a 239 Pu-Be source several neutron spectra have been calculated using Monte Carlo methods. The source term was located in the centre of spherical moderators made of light water, heavy water and polyethylene of different diameters. Also a 239 Pu-Be source was used to measure its neutron spectrum, bare and moderated by water. The neutron spectra were measured at 100 cm with a Bonner spheres spectrometer. Monte Carlo calculations were used to calculate the neutron spectra of bare and water-moderated spectra that were compared with those measured with the spectrometer. Resulting spectra are similar to those found in power plants with PWR, BWR and Candu nuclear reactors. Beside the spectra the dosimetric features were determined. Using moderators and a single neutron source can be produced neutron spectra alike those found in workplaces, this neutron fields can be utilized to calibrate neutron dosimeters and area monitors. (Author)

Dual stacked partial least squares for analysis of near-infrared spectra

Energy Technology Data Exchange (ETDEWEB)

Bi, Yiming [Institute of Automation, Chinese Academy of Sciences, 100190 Beijing (China); Xie, Qiong, E-mail: yimbi@163.com [Institute of Automation, Chinese Academy of Sciences, 100190 Beijing (China); Peng, Silong; Tang, Liang; Hu, Yong; Tan, Jie [Institute of Automation, Chinese Academy of Sciences, 100190 Beijing (China); Zhao, Yuhui [School of Economics and Business, Northeastern University at Qinhuangdao, 066000 Qinhuangdao City (China); Li, Changwen [Food Research Institute of Tianjin Tasly Group, 300410 Tianjin (China)

2013-08-20

Graphical abstract: -- Highlights: •Dual stacking steps are used for multivariate calibration of near-infrared spectra. •A selective weighting strategy is introduced that only a subset of all available sub-models is used for model fusion. •Using two public near-infrared datasets, the proposed method achieved competitive results. •The method can be widely applied in many fields, such as Mid-infrared spectra data and Raman spectra data. -- Abstract: A new ensemble learning algorithm is presented for quantitative analysis of near-infrared spectra. The algorithm contains two steps of stacked regression and Partial Least Squares (PLS), termed Dual Stacked Partial Least Squares (DSPLS) algorithm. First, several sub-models were generated from the whole calibration set. The inner-stack step was implemented on sub-intervals of the spectrum. Then the outer-stack step was used to combine these sub-models. Several combination rules of the outer-stack step were analyzed for the proposed DSPLS algorithm. In addition, a novel selective weighting rule was also involved to select a subset of all available sub-models. Experiments on two public near-infrared datasets demonstrate that the proposed DSPLS with selective weighting rule provided superior prediction performance and outperformed the conventional PLS algorithm. Compared with the single model, the new ensemble model can provide more robust prediction result and can be considered an alternative choice for quantitative analytical applications.

Dual stacked partial least squares for analysis of near-infrared spectra

International Nuclear Information System (INIS)

Bi, Yiming; Xie, Qiong; Peng, Silong; Tang, Liang; Hu, Yong; Tan, Jie; Zhao, Yuhui; Li, Changwen

2013-01-01

Graphical abstract: -- Highlights: •Dual stacking steps are used for multivariate calibration of near-infrared spectra. •A selective weighting strategy is introduced that only a subset of all available sub-models is used for model fusion. •Using two public near-infrared datasets, the proposed method achieved competitive results. •The method can be widely applied in many fields, such as Mid-infrared spectra data and Raman spectra data. -- Abstract: A new ensemble learning algorithm is presented for quantitative analysis of near-infrared spectra. The algorithm contains two steps of stacked regression and Partial Least Squares (PLS), termed Dual Stacked Partial Least Squares (DSPLS) algorithm. First, several sub-models were generated from the whole calibration set. The inner-stack step was implemented on sub-intervals of the spectrum. Then the outer-stack step was used to combine these sub-models. Several combination rules of the outer-stack step were analyzed for the proposed DSPLS algorithm. In addition, a novel selective weighting rule was also involved to select a subset of all available sub-models. Experiments on two public near-infrared datasets demonstrate that the proposed DSPLS with selective weighting rule provided superior prediction performance and outperformed the conventional PLS algorithm. Compared with the single model, the new ensemble model can provide more robust prediction result and can be considered an alternative choice for quantitative analytical applications

The optimization of gamma spectra processing in prompt gamma neutron activation analysis (PGNAA)

Energy Technology Data Exchange (ETDEWEB)

Pinault, Jean-Louis [IAEA Expert, 96 rue du Port David, 45370 Dry (France)], E-mail: jeanlouis_pinault@hotmail.fr; Solis, Jose [Instituto Peruano de Energia Nuclear, Av. Canada No. 1470, San Borja, Lima 41 (Peru)

2009-04-15

The uncertainty of the elemental analysis is one of the major factors governing the utility of on-line Prompt Gamma Neutron Activation Analysis (PGNAA) in the blending and sorting of bulk materials. In this paper, a general method applicable to Gamma spectra processing is presented and applied to PGNAA in mineral industry. Based on the Fourier transform of spectra and their de-correlation in the Fourier space (the improvement of the conditioning of the correlation matrix), processing of overlapping of characteristic peaks minimizes the propagation of random errors, which optimizes the accuracy and decreases the detection limits of elemental analyses. In comparison with classical methods based on the linear combinations of relevant regions of spectra the improvement may be considerable, especially when several elements are interfering. The method is applied to four case stories covering both borehole logging and on-line analysis on conveyor belt of raw materials.

Theoretical emission line ratios for [Fe III] and [Fe VII] applicable to the optical and infrared spectra of gaseous nebulae.

Science.gov (United States)

Keenan, F P; Aller, L H; Ryans, R S; Hyung, S

2001-08-14

Recent calculations of electron impact excitation rates and Einstein A-coefficients for transitions among the 3d(6) levels of Fe III and among the 3d(2) levels of Fe VII are used to derive theoretical emission line ratios applicable to the optical and infrared spectra of gaseous nebulae. Results for [Fe III] are generated for electron temperatures T(e) = 7,000-20,000 K and densities N(e) = 10(2)-10(8) cm(-3), whereas those for [Fe VII] are provided for T(e) = 10,000-30,000 K and N(e) = 10(2)-10(8) cm(-3). The theoretical line ratios are significantly different in some instances from earlier calculations and resolve discrepancies between theory and observation found for the planetary nebulae IC 4997 and NGC 7027.

Comments on the optical lineshape function: Application to transient hole-burned spectra of bacterial reaction centers

Energy Technology Data Exchange (ETDEWEB)

Reppert, Mike; Kell, Adam; Pruitt, Thomas [Department of Chemistry, Kansas State University, Manhattan, Kansas 66506 (United States); Jankowiak, Ryszard, E-mail: ryszard@ksu.edu [Department of Chemistry, Kansas State University, Manhattan, Kansas 66506 (United States); Department of Physics, Kansas State University, Manhattan, Kansas 66506 (United States)

2015-03-07

The vibrational spectral density is an important physical parameter needed to describe both linear and non-linear spectra of multi-chromophore systems such as photosynthetic complexes. Low-temperature techniques such as hole burning (HB) and fluorescence line narrowing are commonly used to extract the spectral density for a given electronic transition from experimental data. We report here that the lineshape function formula reported by Hayes et al. [J. Phys. Chem. 98, 7337 (1994)] in the mean-phonon approximation and frequently applied to analyzing HB data contains inconsistencies in notation, leading to essentially incorrect expressions in cases of moderate and strong electron-phonon (el-ph) coupling strengths. A corrected lineshape function L(ω) is given that retains the computational and intuitive advantages of the expression of Hayes et al. [J. Phys. Chem. 98, 7337 (1994)]. Although the corrected lineshape function could be used in modeling studies of various optical spectra, we suggest that it is better to calculate the lineshape function numerically, without introducing the mean-phonon approximation. New theoretical fits of the P870 and P960 absorption bands and frequency-dependent resonant HB spectra of Rb. sphaeroides and Rps. viridis reaction centers are provided as examples to demonstrate the importance of correct lineshape expressions. Comparison with the previously determined el-ph coupling parameters [Johnson et al., J. Phys. Chem. 94, 5849 (1990); Lyle et al., ibid. 97, 6924 (1993); Reddy et al., ibid. 97, 6934 (1993)] is also provided. The new fits lead to modified el-ph coupling strengths and different frequencies of the special pair marker mode, ω{sub sp}, for Rb. sphaeroides that could be used in the future for more advanced calculations of absorption and HB spectra obtained for various bacterial reaction centers.

Comments on the optical lineshape function: Application to transient hole-burned spectra of bacterial reaction centers

International Nuclear Information System (INIS)

Reppert, Mike; Kell, Adam; Pruitt, Thomas; Jankowiak, Ryszard

2015-01-01

The vibrational spectral density is an important physical parameter needed to describe both linear and non-linear spectra of multi-chromophore systems such as photosynthetic complexes. Low-temperature techniques such as hole burning (HB) and fluorescence line narrowing are commonly used to extract the spectral density for a given electronic transition from experimental data. We report here that the lineshape function formula reported by Hayes et al. [J. Phys. Chem. 98, 7337 (1994)] in the mean-phonon approximation and frequently applied to analyzing HB data contains inconsistencies in notation, leading to essentially incorrect expressions in cases of moderate and strong electron-phonon (el-ph) coupling strengths. A corrected lineshape function L(ω) is given that retains the computational and intuitive advantages of the expression of Hayes et al. [J. Phys. Chem. 98, 7337 (1994)]. Although the corrected lineshape function could be used in modeling studies of various optical spectra, we suggest that it is better to calculate the lineshape function numerically, without introducing the mean-phonon approximation. New theoretical fits of the P870 and P960 absorption bands and frequency-dependent resonant HB spectra of Rb. sphaeroides and Rps. viridis reaction centers are provided as examples to demonstrate the importance of correct lineshape expressions. Comparison with the previously determined el-ph coupling parameters [Johnson et al., J. Phys. Chem. 94, 5849 (1990); Lyle et al., ibid. 97, 6924 (1993); Reddy et al., ibid. 97, 6934 (1993)] is also provided. The new fits lead to modified el-ph coupling strengths and different frequencies of the special pair marker mode, ω sp , for Rb. sphaeroides that could be used in the future for more advanced calculations of absorption and HB spectra obtained for various bacterial reaction centers

Evaluating continuous application of treated sludge on soil and plant productivity

Directory of Open Access Journals (Sweden)

Ahmed Al-Busaidi

2018-01-01

Full Text Available Kala Compost is a mixture of treated sewage bio-solids and green wastes. It can improve soil fertility and plant growth. However, long-term application of treated sewage bio-solids could result in heavy metals accumulation and some health problems. e objective of this study was to evaluate the e ect of a long run application of Kala compost mixed with chemical fertilizer on soil and plant productivity. Soil and plant (mainly cucumber samples were taken from 12 greenhouses that received Kala compost continuously for the last ve years. No symptoms of physical or chemical problems were observed in the greenhouses and measured soil samples. Moreover, the soil had su cient values of di erent nutrients for plant growth and all measured micronutrients (heavy metals were within the safe limit and below the range of the international standards. An excellent growth was observed in all grown plants and no symptoms of elements de ciency were found. Chemical analysis of fruit samples did not show any accumulation of heavy metals and all measured elements were within the safe limit and did not exceed the international standards. It can be concluded that Kala compost was a good media for plant growth that can enrich the soil with di erent elements needed for higher yield. However, more monitoring is needed with treated bio-solid application but good management could be the key to avoid any adverse e ect of any contaminant.

Continuous Renal Replacement Therapy Applications on Extracorporeal Membrane Oxygenation Circuit.

Science.gov (United States)

Yetimakman, Ayse Filiz; Tanyildiz, Murat; Kesici, Selman; Kockuzu, Esra; Bayrakci, Benan

2017-06-01

Continuous venovenous hemofiltration or hemodiafiltration is used frequently in pediatric patients, but experience of continuous renal replacement therapy (CRRT) application on extracorporeal membrane oxygenation (ECMO) circuit is still limited. Among several methods used for applying CRRT on ECMO patients, we aim to share our experience on inclusion of a CRRT device in the ECMO circuit which we believe is easier and safer to apply. The data were collected on demographics, outcomes, and details of the treatment of ECMO patients who had CRRT. During the study period of 3 years, venous cannula of ECMO circuit before pump was used for CRRT access for both the filter inlet and outlet of CRRT machine to minimize the thromboembolic complications. The common indication for CRRT was fluid overload. CRRT was used in 3.68% of a total number of patients admitted and 43% of patients on ECMO. The patients have undergone renal replacement therapy for periods of time ranging between 24 h and 25 days (260 h mean). The survival rate of this group of patients with multiorgan failure was 33%. Renal recovery occurred in all of the survivors. Complications such as electrolyte imbalance, hypothermia, and bradykinin syndrome were easily managed. Adding a CRRT device on ECMO circuit is a safe and effective technique. The major advantages of this technique are easy to access, applying CRRT without extra anticoagulation process, preventing potential hemodynamic disturbances, and increased clearance of solutes and fluid overload using larger hemofilter.

Unattented mode monitoring of high resolution gamma-ray spectra

International Nuclear Information System (INIS)

Smith, B.G.R.; Van Dyck, P.; Debraix, P.

1991-01-01

An Isotope Monitoring System (IMS) for unattended spectrum acquisition is described. This consists of a simple low cost flexible software package running on a Compaq 80386 and controlling up to 4 Canberra Packard System 100 multi-channel analyzer (MCA) cards. The IMS permits the independent configuration of each of the 4 MCA cards for different monitoring cycles and for different spectrum acquisition cycles each being based upon different trigger criteria. In this way IMS is able to automatically identify events, time tag them, and acquire and store valid spectra corresponding to those event. An additional feature of IMS permits to run a Multigroup Analysis (MGA) software package for the determination of plutonium isotopic compositions in batch mode. One particular application is discussed which consists of 4 high resolution gamma-ray detector systems connected together to the IMS for unattended spectrum acquisition. The off-line batch mode analysis of the spectra using MGA is also discussed

Engaging students in astronomy and spectroscopy through Project SPECTRA!

Science.gov (United States)

Wood, E. L.

2011-12-01

Computer simulations for minds-on learning with "Project Spectra!" How do we gain information about the Sun? How do we know Mars has CO2 or that Enceladus has H2O geysers? How do we use light in astronomy? These concepts are something students and educators struggle with because they are abstract. Using simulations and computer interactives (games) where students experience and manipulate the information makes concepts accessible. Visualizing lessons with multi-media solidifies understanding and retention of knowledge and is completely unlike its paper-and-pencil counterpart. Visualizations also enable teachers to forgo purchasing expensive laboratory equipment. "Project Spectra!" is a science and engineering program that uses computer-based Flash interactives to expose students to astronomical spectroscopy and actual data in a way that is not possible with traditional in-class activities. To engage students in "Project Spectra!", students are given a mission, which connects them with the research at hand. Missions range from exploring remote planetary atmospheres and surfaces, experimenting with the Sun using different filters, or analyzing the soil of a remote planet. Additionally, students have an opportunity to learn about NASA missions, view movies, and see images connected with their mission, which is something that is not practical to do during a typical paper-and-pencil activity. Since students can choose what to watch and explore, the interactives accommodate a broad range of learning styles. Students can go back and forth through the interactives if they've missed a concept or wish to view something again. In the end, students are asked critical thinking questions and conduct web-based research. These interactives complement in-class Project SPECTRA! activities exploring applications of the electromagnetic spectrum.

Deep learning of quasar spectra to discover and characterize damped Lyα systems

Science.gov (United States)

Parks, David; Prochaska, J. Xavier; Dong, Shawfeng; Cai, Zheng

2018-05-01

We have designed, developed, and applied a convolutional neural network (CNN) architecture using multi-task learning to search for and characterize strong H I Lyα absorption in quasar spectra. Without any explicit modelling of the quasar continuum or application of the predicted line profile for Lyα from quantum mechanics, our algorithm predicts the presence of strong H I absorption and estimates the corresponding redshift zabs and H I column density N_{H I}, with emphasis on damped Lyα systems (DLAs, absorbers with N_{H I}≥ 2 × 10^{20} cm^{-2}). We tuned the CNN model using a custom training set of DLAs injected into DLA-free quasar spectra from the Sloan Digital Sky Survey (SDSS), data release 5 (DR5). Testing on a held-back validation set demonstrates a high incidence of DLAs recovered by the algorithm (97.4 per cent as DLAs and 99 per cent as an H I absorber with N_{H I}> 10^{19.5} cm^{-2}) and excellent estimates for zabs and N_{H I}. Similar results are obtained against a human-generated survey of the SDSS DR5 data set. The algorithm yields a low incidence of false positives and negatives but is challenged by overlapping DLAs and/or very high N_{H I} systems. We have applied this CNN model to the quasar spectra of SDSS DR7 and the Baryon Oscillation Spectroscopic Survey (data release 12) and provide catalogues of 4913 and 50 969 DLAs, respectively (including 1659 and 9230 high-confidence DLAs that were previously unpublished). This work validates the application of deep learning techniques to astronomical spectra for both classification and quantitative measurements.

Raman spectra of zinc phthalocyanine monolayers absorbed on glassy carbon and gold electrodes by application of a confocal Raman microspectrometer

NARCIS (Netherlands)

Palys-Staron, B.J.; Palys, B.J.; Puppels, G.J.; Puppels, G.J.; van den Ham, D.M.W.; van den Ham, D.M.W.; Feil, D.; Feil, D.

1992-01-01

Raman spectra of zinc phthalocyanine monolayers, adsorbed on gold and on glassy carbon surfaces (electrodes), are presented. These spectra have been recorded with the electrodes inside and outside an electrochemical cell filled with an aqueous electrolyte. A confocal Raman microspectrometer was

Comparison between simplified load spectra in accordance with Germanische Lloyd guidelines, and load spectra derived from time domain simulations

Energy Technology Data Exchange (ETDEWEB)

Rees, M [Aerodyn Energiesysteme gmbH, Rendsburg (Germany)

1996-09-01

The Germanische Lloyd guideline allows calculations of load spectra in two fundamentally different ways. In the case of the so-called `simplified load spectra` the maximum amplitude of fluctuation of a load component is formed as {+-}75% of the average value of the purely aerodynamic loads of this component at rated wind conditions, together with an overlay of mass-related loads. The second method allowed in the GL guideline is the calculation of load spectra from simulation results in the time domain. For a number of average wind speeds the time-dependent characteristics of the load components are calculated taking account of the natural spatial turbulence of the wind. These are converted into load spectra using the rainflow method. In a parametric study the load spectra are calculated according to both methods and compared. The calculations are performed for turbines with rated powers of 100 kW to 2000 kW, with two and three blades, and also for stall-controlled and pitch-controlled turbines. The calculated load spectra are compared with each by means of 1 P fatigue equivalent load spectra. The influence of individual parameters is presented, as is the validity of the simplified load spectra. (au)

ALFITeX. A new code for the deconvolution of complex alpha-particle spectra

International Nuclear Information System (INIS)

Caro Marroyo, B.; Martin Sanchez, A.; Jurado Vargas, M.

2013-01-01

A new code for the deconvolution of complex alpha-particle spectra has been developed. The ALFITeX code is written in Visual Basic for Microsoft Office Excel 2010 spreadsheets, incorporating several features aimed at making it a fast, robust and useful tool with a user-friendly interface. The deconvolution procedure is based on the Levenberg-Marquardt algorithm, with the curve fitting the experimental data being the mathematical function formed by the convolution of a Gaussian with two left-handed exponentials in the low-energy-tail region. The code also includes the capability of fitting a possible constant background contribution. The application of the singular value decomposition method for matrix inversion permits the fit of any kind of alpha-particle spectra, even those presenting singularities or an ill-conditioned curvature matrix. ALFITeX has been checked with its application to the deconvolution and the calculation of the alpha-particle emission probabilities of 239 Pu, 241 Am and 235 U. (author)

Neutron energy spectra produced by α-bombardment of light elements in thick targets

International Nuclear Information System (INIS)

Jacobs, G.J.H.

1982-01-01

The aim of the work, presented in this thesis, is to determine energy spectra of neutrons produced by α-particle bombardment of thick targets containing light elements. These spectra are required for nuclear waste management. The set-up of the neutron spectrometer is described, and its calibration discussed. Absolute efficiencies were determined at various neutron energies, using monoenergetic neutrons produced with the Van de Graaff accelerator in pulsed mode. The additional calibration of the neutron spectrometer as proton-recoil spectrometer was carried out primarily for future applications in measurements where no pulsed neutron source is available or the neutron flux density is too low. The basis for an accurate uncertainty analysis is made by the determination of the covariance matrix for the uncertainties in the efficiencies. The determination of the neutron energy spectra from time-of-flight and from proton-recoil measurements is described. A comparison of the results obtained from the two different types of measurements is made. The experimentally determined spectra were compared with spectra calculated from stopping powers and theoretically determined cross sections. These cross sections were calculated from optical model parameters and level parameters using the Hauser-Feshbach formalism. Measurements were carried out on thick targets of silicon, aluminium, magnesium, carbon, boron nitride, calcium fluoride, aluminium oxide, silicon oxide and uranium oxide at four different α-particle energies. (Auth.)

Effects of the background environment on formation, evolution and emission spectra of laser-induced plasmas

International Nuclear Information System (INIS)

De Giacomo, A.; Dell'Aglio, M.; Gaudiuso, R.; Amoruso, S.; De Pascale, O.

2012-01-01

In this paper the most important features of Laser Induced Plasma (LIP) evolution were analyzed from the fundamental point of view, in order to point out the effects of background environment on the plasma emission spectra. In particular, the main differences between air and vacuum Laser-Induced Breakdown (LIBS) are discussed, as well as those arising in high-pressure gases and in liquid environment. As can be expected, the dynamics of the plasma is strongly dependent on the environment where the plasma itself expands, which can be exploited for several different applications, ranging from chemical analysis and process diagnostics to materials science. The effect of other experimental conditions, such as the state of aggregation of the irradiated target, and the effect of laser pulse duration are also briefly reviewed. - Highlights: ► General processes involved in laser ablation and plasma generation were reported. ► Effect of number density in the plasma on the spectra features was discussed. ► LIP in gases at different pressures, in liquids and in DP techniques was discussed. ► LIBS spectra in various environments and correlated applications were discussed.

Analytical applications for delayed neutrons

International Nuclear Information System (INIS)

Eccleston, G.W.

1983-01-01

Analytical formulations that describe the time dependence of neutron populations in nuclear materials contain delayed-neutron dependent terms. These terms are important because the delayed neutrons, even though their yields in fission are small, permit control of the fission chain reaction process. Analytical applications that use delayed neutrons range from simple problems that can be solved with the point reactor kinetics equations to complex problems that can only be solved with large codes that couple fluid calculations with the neutron dynamics. Reactor safety codes, such as SIMMER, model transients of the entire reactor core using coupled space-time neutronics and comprehensive thermal-fluid dynamics. Nondestructive delayed-neutron assay instruments are designed and modeled using a three-dimensional continuous-energy Monte Carlo code. Calculations on high-burnup spent fuels and other materials that contain a mix of uranium and plutonium isotopes require accurate and complete information on the delayed-neutron periods, yields, and energy spectra. A continuing need exists for delayed-neutron parameters for all the fissioning isotopes

Application of a continuous twin screw-driven process for dilute acid pretreatment of rape straw.

Science.gov (United States)

Choi, Chang Ho; Oh, Kyeong Keun

2012-04-01

Rape straw, a processing residue generated from the bio-oil industry, was used as a model biomass for application of continuous twin screw-driven dilute acid pretreatment. The screw rotation speed and feeding rate were adjusted to 19.7rpm and 0.5g/min, respectively to maintain a residence time of 7.2min in the reaction zone, respectively. The sulfuric acid concentration was 3.5wt% and the reaction temperature was 165°C. The enzymatic digestibility of the glucan in the pretreated solids was 70.9%. The continuous process routinely gave around 28.8% higher yield for glucan digestibility than did the batch processing method. Copyright © 2012 Elsevier Ltd. All rights reserved.

Structure of high-resolution NMR spectra

CERN Document Server

Corio, PL

2012-01-01

Structure of High-Resolution NMR Spectra provides the principles, theories, and mathematical and physical concepts of high-resolution nuclear magnetic resonance spectra.The book presents the elementary theory of magnetic resonance; the quantum mechanical theory of angular momentum; the general theory of steady state spectra; and multiple quantum transitions, double resonance and spin echo experiments.Physicists, chemists, and researchers will find the book a valuable reference text.

FSFE: Fake Spectra Flux Extractor

Science.gov (United States)

Bird, Simeon

2017-10-01

The fake spectra flux extractor generates simulated quasar absorption spectra from a particle or adaptive mesh-based hydrodynamic simulation. It is implemented as a python module. It can produce both hydrogen and metal line spectra, if the simulation includes metals. The cloudy table for metal ionization fractions is included. Unlike earlier spectral generation codes, it produces absorption from each particle close to the sight-line individually, rather than first producing an average density in each spectral pixel, thus substantially preserving more of the small-scale velocity structure of the gas. The code supports both Gadget (ascl:0003.001) and AREPO.

Bubble-free on-chip continuous-flow polymerase chain reaction: concept and application.

Science.gov (United States)

Wu, Wenming; Kang, Kyung-Tae; Lee, Nae Yoon

2011-06-07

Bubble formation inside a microscale channel is a significant problem in general microfluidic experiments. The problem becomes especially crucial when performing a polymerase chain reaction (PCR) on a chip which is subject to repetitive temperature changes. In this paper, we propose a bubble-free sample injection scheme applicable for continuous-flow PCR inside a glass/PDMS hybrid microfluidic chip, and attempt to provide a theoretical basis concerning bubble formation and elimination. Highly viscous paraffin oil plugs are employed in both the anterior and posterior ends of a sample plug, completely encapsulating the sample and eliminating possible nucleation sites for bubbles. In this way, internal channel pressure is increased, and vaporization of the sample is prevented, suppressing bubble formation. Use of an oil plug in the posterior end of the sample plug aids in maintaining a stable flow of a sample at a constant rate inside a heated microchannel throughout the entire reaction, as compared to using an air plug. By adopting the proposed sample injection scheme, we demonstrate various practical applications. On-chip continuous-flow PCR is performed employing genomic DNA extracted from a clinical single hair root sample, and its D1S80 locus is successfully amplified. Also, chip reusability is assessed using a plasmid vector. A single chip is used up to 10 times repeatedly without being destroyed, maintaining almost equal intensities of the resulting amplicons after each run, ensuring the reliability and reproducibility of the proposed sample injection scheme. In addition, the use of a commercially-available and highly cost-effective hot plate as a potential candidate for the heating source is investigated.

Real-time process monitoring in a semi-continuous fluid-bed dryer - microwave resonance technology versus near-infrared spectroscopy.

Science.gov (United States)

Peters, Johanna; Teske, Andreas; Taute, Wolfgang; Döscher, Claas; Höft, Michael; Knöchel, Reinhard; Breitkreutz, Jörg

2018-02-15

The trend towards continuous manufacturing in the pharmaceutical industry is associated with an increasing demand for advanced control strategies. It is a mandatory requirement to obtain reliable real-time information on critical quality attributes (CQA) during every process step as the decision on diversion of material needs to be performed fast and automatically. Where possible, production equipment should provide redundant systems for in-process control (IPC) measurements to ensure continuous process monitoring even if one of the systems is not available. In this paper, two methods for real-time monitoring of granule moisture in a semi-continuous fluid-bed drying unit are compared. While near-infrared (NIR) spectroscopy has already proven to be a suitable process analytical technology (PAT) tool for moisture measurements in fluid-bed applications, microwave resonance technology (MRT) showed difficulties to monitor moistures above 8% until recently. The results indicate, that the newly developed MRT sensor operating at four resonances is capable to compete with NIR spectroscopy. While NIR spectra were preprocessed by mean centering and first derivative before application of partial least squares (PLS) regression to build predictive models (RMSEP = 0.20%), microwave moisture values of two resonances sufficed to build a statistically close multiple linear regression (MLR) model (RMSEP = 0.07%) for moisture prediction. Thereby, it could be verified that moisture monitoring by MRT sensor systems could be a valuable alternative to NIR spectroscopy or could be used as a redundant system providing great ease of application. Copyright © 2017 Elsevier B.V. All rights reserved.

Assessing the operational life of flexible printed boards intended for continuous flexing applications : a case study.

Energy Technology Data Exchange (ETDEWEB)

Beck, David Franklin

2011-01-01

Through the vehicle of a case study, this paper describes in detail how the guidance found in the suite of IPC (Association Connecting Electronics Industries) publications can be applied to develop a high level of design assurance that flexible printed boards intended for continuous flexing applications will satisfy specified lifetime requirements.

Analytic continuation by duality estimation of the S parameter

International Nuclear Information System (INIS)

Ignjatovic, S. R.; Wijewardhana, L. C. R.; Takeuchi, T.

2000-01-01

We investigate the reliability of the analytic continuation by duality (ACD) technique in estimating the electroweak S parameter for technicolor theories. The ACD technique, which is an application of finite energy sum rules, relates the S parameter for theories with unknown particle spectra to known OPE coefficients. We identify the sources of error inherent in the technique and evaluate them for several toy models to see if they can be controlled. The evaluation of errors is done analytically and all relevant formulas are provided in appendixes including analytical formulas for approximating the function 1/s with a polynomial in s. The use of analytical formulas protects us from introducing additional errors due to numerical integration. We find that it is very difficult to control the errors even when the momentum dependence of the OPE coefficients is known exactly. In realistic cases in which the momentum dependence of the OPE coefficients is only known perturbatively, it is impossible to obtain a reliable estimate. (c) 2000 The American Physical Society

FHILs in Seyferts and Liners in the optical spectra

Science.gov (United States)

Vera, R. J. C.; Rodriguez, A. M.; Portilla, J. G.

2014-10-01

We present the main results from a selection of optical spectra of Seyfert and LINER galaxies taken from the 9^{th} release of the SDSS with detectable emission of forbidden high ionization lines (FHILs), better known as coronal lines. A catalog of 345 Seyfert 1 (Sy1) and Seyfert 2 (Sy2) galaxies with FHILs emission is presented. By analyzing their spectra and utilizing data from the literature we found the following results: (1) The flux ratios between FHILs suggests anisotropy of emission between Sy1 and Sy2 galaxies, which agrees with the results found by Nagao et al. (2002) and Portilla (2012). Sy1 seems to emit more FHILs than Sy2. (2) This anisotropy suggests the idea that an important, but not the majority, of the emission of FHILs comes from the inner part of the obscuring torus. (3) We present diagnostic diagrams between FHILs lines which indicate clear correlations between the flux ratios. (4) It is observed that the ratio of Ne V/Fe VII is of the order of 3 to 10, while the ratios between iron lines (i.e., Fe VII, Fe X, Fe XI) are roughly around the unity. (5) At least in the optical spectra, the present study continues to support the general idea that LINERs are not energetic enough to present FHILs. A complete version of this study including the catalog with the objects of study, and diagnosis diagrams using only this kind of lines can be found in Vera & Portilla (in prep).

PEPSI deep spectra. II. Gaia benchmark stars and other M-K standards

Science.gov (United States)

Strassmeier, K. G.; Ilyin, I.; Weber, M.

2018-04-01

Context. High-resolution échelle spectra confine many essential stellar parameters once the data reach a quality appropriate to constrain the various physical processes that form these spectra. Aim. We provide a homogeneous library of high-resolution, high-S/N spectra for 48 bright AFGKM stars, some of them approaching the quality of solar-flux spectra. Our sample includes the northern Gaia benchmark stars, some solar analogs, and some other bright Morgan-Keenan (M-K) spectral standards. Methods: Well-exposed deep spectra were created by average-combining individual exposures. The data-reduction process relies on adaptive selection of parameters by using statistical inference and robust estimators. We employed spectrum synthesis techniques and statistics tools in order to characterize the spectra and give a first quick look at some of the science cases possible. Results: With an average spectral resolution of R ≈ 220 000 (1.36 km s-1), a continuous wavelength coverage from 383 nm to 912 nm, and S/N of between 70:1 for the faintest star in the extreme blue and 6000:1 for the brightest star in the red, these spectra are now made public for further data mining and analysis. Preliminary results include new stellar parameters for 70 Vir and α Tau, the detection of the rare-earth element dysprosium and the heavy elements uranium, thorium and neodymium in several RGB stars, and the use of the 12C to 13C isotope ratio for age-related determinations. We also found Arcturus to exhibit few-percent Ca II H&K and Hα residual profile changes with respect to the KPNO atlas taken in 1999. Based on data acquired with PEPSI using the Large Binocular Telescope (LBT) and the Vatican Advanced Technology Telescope (VATT). The LBT is an international collaboration among institutions in the United States, Italy, and Germany. LBT Corporation partners are the University of Arizona on behalf of the Arizona university system; Istituto Nazionale di Astrofisica, Italy; LBT

WSEAT Shock Testing Margin Assessment Using Energy Spectra Final Report.

Energy Technology Data Exchange (ETDEWEB)

Sisemore, Carl; Babuska, Vit; Booher, Jason

2018-02-01

Several programs at Sandia National Laboratories have adopted energy spectra as a metric to relate the severity of mechanical insults to structural capacity. The purpose being to gain insight into the system's capability, reliability, and to quantify the ultimate margin between the normal operating envelope and the likely system failure point -- a system margin assessment. The fundamental concern with the use of energy metrics was that the applicability domain and implementation details were not completely defined for many problems of interest. The goal of this WSEAT project was to examine that domain of applicability and work out the necessary implementation details. The goal of this project was to provide experimental validation for the energy spectra based methods in the context of margin assessment as they relate to shock environments. The extensive test results concluded that failure predictions using energy methods did not agree with failure predictions using S-N data. As a result, a modification to the energy methods was developed following the form of Basquin's equation to incorporate the power law exponent for fatigue damage. This update to the energy-based framework brings the energy based metrics into agreement with experimental data and historical S-N data.

Analysis of extreme ultraviolet spectra from laser produced rhenium plasmas

Science.gov (United States)

Wu, Tao; Higashiguchi, Takeshi; Li, Bowen; Suzuki, Yuhei; Arai, Goki; Dinh, Thanh-Hung; Dunne, Padraig; O'Reilly, Fergal; Sokell, Emma; Liu, Luning; O'Sullivan, Gerry

2015-08-01

Extreme ultraviolet spectra of highly-charged rhenium ions were observed in the 1-7 nm region using two Nd:YAG lasers with pulse lengths of 150 ps and 10 ns, respectively, operating at a number of laser power densities. The maximum focused peak power density was 2.6 × 1014 W cm-2 for the former and 5.5 × 1012 W cm-2 for the latter. The Cowan suite of atomic structure codes and unresolved transition array (UTA) approach were used to calculate and interpret the emission properties of the different spectra obtained. The results show that n = 4-n = 4 and n = 4-n = 5 UTAs lead to two intense quasi-continuous emission bands in the 4.3-6.3 nm and 1.5-4.3 nm spectral regions. As a result of the different ion stage distributions in the plasmas induced by ps and ns laser irradiation the 1.5-4.3 nm UTA peak moves to shorter wavelength in the ps laser produced plasma spectra. For the ns spectrum, the most populated ion stage during the lifetime of this plasma that could be identified from the n = 4-n = 5 transitions was Re23+ while for the ps plasma the presence of significantly higher stages was demonstrated. For the n = 4-n = 4 4p64dN-4p54dN+1 + 4p64dN-14f transitions, the 4d-4f transitions contribute mainly in the most intense 4.7-5.5 nm region while the 4p-4d subgroup gives rise to a weaker feature in the 4.3-4.7 nm region. A number of previously unidentified spectral features produced by n = 4-n = 5 transitions in the spectra of Re XVI to Re XXXIX are identified.

Quantum algebraic description of vibrational and transitional nuclear spectra

International Nuclear Information System (INIS)

Raychev, P.P.; Roussev, R.P.; Inrne, D.

1995-01-01

A physically motivated extension of the SU q (2) model of rotational nuclear spectra is introduced, which is applicable in the vibrational and transitional regions as well. The deformation parameter is related to the centrifugal stretching effect, while the new parameter c allows the spectrum to be an expansion in terms of J(J+c) instead of J(J+1), thus describing nuclear anharmonicities in a way similar to the Interacting Boson Model and the Generalized Variable Moment of Inertia model

A comparative study of different aspects of manipulating ratio spectra applied for ternary mixtures: derivative spectrophotometry versus wavelet transform.

Science.gov (United States)

Salem, Hesham; Lotfy, Hayam M; Hassan, Nagiba Y; El-Zeiny, Mohamed B; Saleh, Sarah S

2015-01-25

This work represents a comparative study of different aspects of manipulating ratio spectra, which are: double divisor ratio spectra derivative (DR-DD), area under curve of derivative ratio (DR-AUC) and its novel approach, namely area under the curve correction method (AUCCM) applied for overlapped spectra; successive derivative of ratio spectra (SDR) and continuous wavelet transform (CWT) methods. The proposed methods represent different aspects of manipulating ratio spectra of the ternary mixture of Ofloxacin (OFX), Prednisolone acetate (PA) and Tetryzoline HCl (TZH) combined in eye drops in the presence of benzalkonium chloride as a preservative. The proposed methods were checked using laboratory-prepared mixtures and were successfully applied for the analysis of pharmaceutical formulation containing the cited drugs. The proposed methods were validated according to the ICH guidelines. A comparative study was conducted between those methods regarding simplicity, limitation and sensitivity. The obtained results were statistically compared with those obtained from the reported HPLC method, showing no significant difference with respect to accuracy and precision. Copyright © 2014 Elsevier B.V. All rights reserved.

Effects of electrolyte gating on photoluminescence spectra of large-area WSe2monolayer films

KAUST Repository

Matsuki, Keiichiro; Pu, Jiang; Kozawa, Daichi; Matsuda, Kazunari; Li, Lain-Jong; Takenobu, Taishi

2016-01-01

We fabricated electric double-layer transistors comprising large-area WSe2 monolayers and investigated the effects of electrolyte gating on their photoluminescence (PL) spectra. Using the efficient gating effects of electric double layers, we succeeded in the application of a large electric field (>107Vcm%1) and the accumulation of high carrier density (>1013cm%2). As a result, we observed PL spectra based on both positively and negatively charged excitons and their gate-voltage-dependent redshifts, suggesting the effects of both an electric field and charge accumulation. © 2016 The Japan Society of Applied Physics.

Effects of electrolyte gating on photoluminescence spectra of large-area WSe2monolayer films

KAUST Repository

Matsuki, Keiichiro

2016-05-24

We fabricated electric double-layer transistors comprising large-area WSe2 monolayers and investigated the effects of electrolyte gating on their photoluminescence (PL) spectra. Using the efficient gating effects of electric double layers, we succeeded in the application of a large electric field (>107Vcm%1) and the accumulation of high carrier density (>1013cm%2). As a result, we observed PL spectra based on both positively and negatively charged excitons and their gate-voltage-dependent redshifts, suggesting the effects of both an electric field and charge accumulation. © 2016 The Japan Society of Applied Physics.

Application of magnetic circular dichroism spectroscopy to the optical spectra of natural and irradiated diamonds

International Nuclear Information System (INIS)

Douglas, I.N.; Ruciman, W.A.; Australian National Univ., Canberra. Research School of Physical Sciences)

1977-01-01

The MCD spectra of natural type Ia and electron-irradiated type Ia and type IIa diamonds have been measured. The information obtained from MCD spectroscopy complements that obtained from absorption spectroscopy and can be helpful in the assignment of electronic transitions. (orig.) [de

Administrative Computing in Continuing Education.

Science.gov (United States)

Broxton, Harry

1982-01-01

Describes computer applications in the Division of Continuing Education at Brigham Young University. These include instructional applications (computer assisted instruction, computer science education, and student problem solving) and administrative applications (registration, payment records, grades, reports, test scoring, mailing, and others).…

Actinide L-line ED-XRF and Hybrid K-edge Densitometer Spectra Processing

International Nuclear Information System (INIS)

Esbelin, E.

2015-01-01

The analysis laboratory in the CEA Atalante complex at Marcoule (France) performs numerous R and D studies carried out in glove-boxes or in hot cells. Most of the samples are measured in liquid phase, aqueous or organic. The concentration of the main actinides of interest (U, Np, Pu, Am and Cm) are determined by XRF in a hot cell via their L-line X-ray between 13 and 15 keV. In order to limit the counting rate of many radioactive emitters (X-ray and gamma emitters) in the analysis solution and the continuous spectrum, a graphite monochromator is placed between the sample and detector. Commercial or free, the software packages available for processing X-ray spectra are designed and dedicated to a specific instrument and/or do not take into account the specific feature of our system, in other words, the presence of a monochromator. Therefore, a new X-ray analysis software programme was developed for this particular system which takes into account matrix effects corrections. For sample with U and/or Pu in high concentrations, the hybrid K-edge densitometer is used. A new software programme was also developed. For K-edge densitometry spectra processing, no calibration process is used. Spectra processing is based on theoretical equation and uses XCOM database for mass attenuation coefficients. Measured spectra on K-edge densitometer of Rokkasho Safeguards Analytical Laboratory were processed with this software and a very good agreement was found with IDTIMS results. The new graphical user interface allows to manually correct the defined edge. For the XRF spectra processing, new algorithms are used to define the base line and to find/integrate peaks. With these two analytical devices in laboratory, U and Pu concentrations can be measured from 0.5 mg/l to several hundred of g/l. (author)

The use of UV, FT-IR and Raman spectra for the identification of the newest penem analogs: solutions based on mathematic procedure and the density functional theory.

Science.gov (United States)

Cielecka-Piontek, J; Lewandowska, K; Barszcz, B; Paczkowska, M

2013-02-15

The application of ultraviolet, FT-IR and Raman spectra was proposed for identification studies of the newest penem analogs (doripenem, biapenem and faropenem). An identification of the newest penem analogs based on their separation from related substances was achieved after the application of first derivative of direct spectra in ultraviolet which permitted elimination of overlapping effects. A combination of experimental and theoretical studies was performed for analyzing the structure and vibrational spectra (FT-IR and Raman spectra) of doripenem, biapenem and faropenem. The calculations were conducted using the density functional theory with the B3LYP hybrid functional and 6-31G(d,p) basis set. The confirmation of the applicability of the DFT methodology for interpretation of vibrational IR and Raman spectra of the newest penem analogs contributed to determination of changes of vibrations in the area of the most labile bonds. By employing the theoretical approach it was possible to eliminate necessity of using reference standards which - considering the instability of penem analogs - require that correction coefficients are factored in. Copyright © 2012 Elsevier B.V. All rights reserved.

Automatic frequency and phase alignment of in vivo J-difference-edited MR spectra by frequency domain correlation.

Science.gov (United States)

Wiegers, Evita C; Philips, Bart W J; Heerschap, Arend; van der Graaf, Marinette

2017-12-01

J-difference editing is often used to select resonances of compounds with coupled spins in 1 H-MR spectra. Accurate phase and frequency alignment prior to subtracting J-difference-edited MR spectra is important to avoid artefactual contributions to the edited resonance. In-vivo J-difference-edited MR spectra were aligned by maximizing the normalized scalar product between two spectra (i.e., the correlation over a spectral region). The performance of our correlation method was compared with alignment by spectral registration and by alignment of the highest point in two spectra. The correlation method was tested at different SNR levels and for a broad range of phase and frequency shifts. In-vivo application of the proposed correlation method showed reduced subtraction errors and increased fit reliability in difference spectra as compared with conventional peak alignment. The correlation method and the spectral registration method generally performed equally well. However, better alignment using the correlation method was obtained for spectra with a low SNR (down to ~2) and for relatively large frequency shifts. Our correlation method for simultaneously phase and frequency alignment is able to correct both small and large phase and frequency drifts and also performs well at low SNR levels.

Design spectra development considering short time histories

International Nuclear Information System (INIS)

Weiner, E.O.

1983-01-01

Two separate programs, MODQKE and MDOF, were written to provide a capability of obtaining equipment spectra from design spectra. MODQKE generates or modifies acceleration histories to conform with design spectra pertaining to, say, a foundation. MDOF is a simple linear modal superposition program that solves for equipment support histories using the design spectra conforming histories as input. Equipment spectra, then, are obtained from the support histories using MODQKE. MODQKE was written to modify or provide new histories with special attention paid to short seismic records. A technique from the open literature was borrowed to generate an initial history that approximates a given response spectrum. Further refinement is done with smoothing cycles in which several correction signals are added to the history in a way that produces a least squares fit between actual and prescribed spectra. Provision is made for history shaping, a baseline correction, and final scaling. MODQKE performance has been demonstrated with seven examples having zero to ten percent damping ratios, and 2.5 seconds to 20 seconds durations and a variety of target spectra. The examples show the program is inexpensive to use. MDOF is a simple modal superposition program. It has no eigensolver, and the user supplies mode shapes, frequencies, and participation factors as input. Floor spectra can be generated from design spectra by using a history from MODQKE that conforms to the design spectrum as input to MDOF. Floor motions from MDOF can be fed back to MODQKE without modification to obtain the floor spectra. A simple example is given to show how equipment mass effects can be incorporated into the MDOF solution. Any transient solution capability can be used to replace MDOF. For example, a direct transient approach may be desirable if both the equipment and floor structures are to be included in the model with different damping fractions. (orig./HP)

NMRKIN: Simulating line shapes from two-dimensional spectra of proteins upon ligand binding

International Nuclear Information System (INIS)

Guenther, Ulrich L.; Schaffhausen, Brian

2002-01-01

The analysis of the shape of signals in NMR spectra is a powerful tool to study exchange and reaction kinetics. Line shapes in two-dimensional spectra of proteins recorded for titrations with ligands provide information about binding rates observed at individual residues. Here we describe a fast method to simulate a series of line shapes derived from two-dimensional spectra of a protein during a ligand titration. This procedure, which takes the mutual effects of two dimensions into account, has been implemented in MATLAB as an add-on to NMRLab (Guenther et al., 2000). In addition, more complex kinetic models, including sequential and parallel reactions, were simulated to demonstrate common features of more complex line shapes which could be encountered in protein-ligand interactions. As an example of this method, we describe its application to line shapes obtained for a titration of the p85 N-SH2 domain of PI3-kinase with a peptide derived from polyomavirus middle T antigen (MT)

Fractal analysis of power spectra

International Nuclear Information System (INIS)

Johnston, S.

1982-01-01

A general argument is presented concerning the Hausdorff dimension D of the power spectrum curve for a system of N weakly-coupled oscillators. Explicit upper and lower bounds for D are derived in terms of the number N of interacting modes. The mathematical reasoning relies upon the celebrated KAM theorem concerning the perturbation of Hamiltonian systems and the finite measure of the set of destroyed tori in phase space; this set can be related to Hausdorff dimension by certain mathematical theorems. An important consequence of these results is a simple empirical test for the applicability of Hamiltonian perturbation theory in the analysis of an experimentally observed spectrum. As an illustration, the theory is applied to the interpretation of a recent numerical analysis of both the power spectrum of the Sun and certain laboratory spectra of hydrodynamic turbulence. (Auth.)

Multivariate calibration applied to the quantitative analysis of infrared spectra

Energy Technology Data Exchange (ETDEWEB)

Haaland, D.M.

1991-01-01

Multivariate calibration methods are very useful for improving the precision, accuracy, and reliability of quantitative spectral analyses. Spectroscopists can more effectively use these sophisticated statistical tools if they have a qualitative understanding of the techniques involved. A qualitative picture of the factor analysis multivariate calibration methods of partial least squares (PLS) and principal component regression (PCR) is presented using infrared calibrations based upon spectra of phosphosilicate glass thin films on silicon wafers. Comparisons of the relative prediction abilities of four different multivariate calibration methods are given based on Monte Carlo simulations of spectral calibration and prediction data. The success of multivariate spectral calibrations is demonstrated for several quantitative infrared studies. The infrared absorption and emission spectra of thin-film dielectrics used in the manufacture of microelectronic devices demonstrate rapid, nondestructive at-line and in-situ analyses using PLS calibrations. Finally, the application of multivariate spectral calibrations to reagentless analysis of blood is presented. We have found that the determination of glucose in whole blood taken from diabetics can be precisely monitored from the PLS calibration of either mind- or near-infrared spectra of the blood. Progress toward the non-invasive determination of glucose levels in diabetics is an ultimate goal of this research. 13 refs., 4 figs.

Retrieval of vertical concentration profiles from OSIRIS UV-visible limb spectra

International Nuclear Information System (INIS)

Strong, K.; Joseph, B.M.; Dosanjh, R.; McDade, I.C.; McLinden, C.A.; McConnell, J.C.; Stegman, J.; Murtagh, D.P.; Llewellyn, E.J.

2002-01-01

The OSIRIS instrument, launched on the Odin satellite in February 2001, includes an optical spectrograph that will record UV-visible spectra of sunlight scattered from the limb over a range of tangent heights. These spectra will be used to retrieve vertical profiles of ozone, NO 2 , OC1O, BrO, NO 3 , O 2 , and aerosols, for the investigation of both stratospheric and mesospheric processes, particularly those related to ozone chemistry. In this work, the retrieval of vertical profiles of trace-gas concentrations from OSIRIS limb-radiance spectra is described. A forward model has been developed to simulate these spectra, and it consists of a single-scattering radiative-transfer model with partial spherical geometry, trace-gas absorption, Mic scattering by stratospheric aerosols, a Lambertian surface contribution, and OSIRIS instrument response and noise. Number-density profiles have been retrieved by using optimal estimation (OE) to combine an a priori profile with the information from sets of synthetic 'measurements'. For ozone, OE has been applied both to limb radiances at one or more discrete wavelengths and to effective-column abundances retrieved over a broad spectral range using differential optical absorption spectroscopy (DOAS). The results suggest that, between 15 and 35 km, ozone number densities can be retrieved to 10% accuracy or better on 1 and 2 km grids and to 5% on a 5 km grid. The combined DOAS-OE approach has also been used to retrieve NO 2 number densities, yielding 13% accuracy or better for altitudes from 18 to 36 km (in a 2 km grid. Differential optical absorption spectroscopy - optimal estimation retrievals of BrO and OC1O reproduce the true profiles above 15 km in the noise-free case, but the quality of the retrievals is highly sensitive to noise on the simulated OSIRIS spectra because of the weak absorption of these two gases. The development of inversion methods for the retrieval of trace-gas concentrations from OSIRIS spectra is continuing

Computer model for calculating gamma-ray pulse-height spectra for logging applications

International Nuclear Information System (INIS)

Evans, M.L.

1981-01-01

A generalized computer model has been devised to simulate the emission, transport, and detection of natural gamma radiation from various logging environments. The model yields high-resolution gamma-ray pulse-height spectra that can be used to correct both gross gamma and spectral gamma-ray logs. The technique can help provide corrections to airborne and surface radiometric survey logs for the effects of varying altitude, formation composition, and overburden. Applied to borehole logging, the model can yield estimates of the effects of varying borehole fluid and casing attenuations, as well as varying formation porosity and saturation

Statistical properties of Fermi GBM GRBs' spectra

Science.gov (United States)

Rácz, István I.; Balázs, Lajos G.; Horvath, Istvan; Tóth, L. Viktor; Bagoly, Zsolt

2018-03-01

Statistical studies of gamma-ray burst (GRB) spectra may result in important information on the physics of GRBs. The Fermi GBM catalogue contains GRB parameters (peak energy, spectral indices, and intensity) estimated fitting the gamma-ray spectral energy distribution of the total emission (fluence, flnc), and during the time of the peak flux (pflx). Using contingency tables, we studied the relationship of the models best-fitting pflx and flnc time intervals. Our analysis revealed an ordering of the spectra into a power law - Comptonized - smoothly broken power law - Band series. This result was further supported by a correspondence analysis of the pflx and flnc spectra categorical variables. We performed a linear discriminant analysis (LDA) to find a relationship between categorical (spectral) and model independent physical data. LDA resulted in highly significant physical differences among the spectral types, that is more pronounced in the case of the pflx spectra, than for the flnc spectra. We interpreted this difference as caused by the temporal variation of the spectrum during the outburst. This spectral variability is confirmed by the differences in the low-energy spectral index and peak energy, between the pflx and flnc spectra. We found that the synchrotron radiation is significant in GBM spectra. The mean low-energy spectral index is close to the canonical value of α = -2/3 during the peak flux. However, α is ˜ -0.9 for the spectra of the fluences. We interpret this difference as showing that the effect of cooling is important only for the fluence spectra.

Raman spectra of lithium compounds

Science.gov (United States)

Gorelik, V. S.; Bi, Dongxue; Voinov, Y. P.; Vodchits, A. I.; Gorshunov, B. P.; Yurasov, N. I.; Yurasova, I. I.

2017-11-01

The paper is devoted to the results of investigating the spontaneous Raman scattering spectra in the lithium compounds crystals in a wide spectral range by the fibre-optic spectroscopy method. We also present the stimulated Raman scattering spectra in the lithium hydroxide and lithium deuteride crystals obtained with the use of powerful laser source. The symmetry properties of the lithium hydroxide, lithium hydroxide monohydrate and lithium deuteride crystals optical modes were analyzed by means of the irreducible representations of the point symmetry groups. We have established the selection rules in the Raman and infrared absorption spectra of LiOH, LiOH·H2O and LiD crystals.

Application of the Moessbauer effect in the investigation of mineral raw materials

International Nuclear Information System (INIS)

Benada, J.

1973-01-01

The application is described of a method for an improved resolution of complex experimental Moessbauer spectra. The method is based on the application of the speedy Fourier transformation. The efficiency is illustrated by the measured spectra and by the improved spectra obtained from them. The application of the Moessbauer effect is discussed in research on minerals of the isomorphous series enstatite-hypersthene and on amphiboles. (author)

Photon and photoneutron spectra produced in radiotherapy Linacs

International Nuclear Information System (INIS)

Vega C, H. R.; Martinez O, S. A.; Benites R, J. L.; Lallena, A. M.

2011-10-01

A Monte Carlo calculation, using the MCNPX code, was carried out in order to estimate the photon and neutron spectra in two locations of two linacs operating at 15 and 18 MV. Detailed models of both linac heads were used in the calculations. Spectra were estimated below the flattening filter and at the isocenter. Neutron spectra show two components due to evaporation and knock-on neutrons. Lethargy spectra under the filter were compared to the spectra calculated from the function quoted by Tosi et al. that describes reasonably well neutron spectra beyond 1 MeV, though tends to underestimate the energy region between 10 -6 and 1 MeV. Neutron and Bremsstrahlung spectra show the same features regardless of the linac voltage. The amount of photons and neutrons produced by the 15 MV linac is smaller than that found for the 18 MV linac. As expected, Bremsstrahlung spectra ends according to the voltage used to accelerate the electrons. (Author)

Photon and photoneutron spectra produced in radiotherapy Linacs

Energy Technology Data Exchange (ETDEWEB)

Vega C, H. R. [Universidad Autonoma de Zacatecas, Unidad Academica de Estudios Nucleares, Calle Cipres No. 10, Fracc. La Penuela, 98068 Zacatecas (Mexico); Martinez O, S. A. [Universidad Pedagogica y Tecnologica de Colombia, Grupo de Fisica Nuclear Aplicada y Simulacion, Av. Central del Norte Km. 1, Via Paipa Tunja, Boyaca (Colombia); Benites R, J. L. [Universidad Autonoma de Nayarit, Postgrado CBAP, Carretera Tepic Compostela Km. 9, Xalisco, Nayarit (Mexico); Lallena, A. M., E-mail: fermineutron@yahoo.com [Universida de Granada, Departamento de Fisica Atomica, Molecular y Nuclear, E-18071 Granada (Spain)

2011-10-15

A Monte Carlo calculation, using the MCNPX code, was carried out in order to estimate the photon and neutron spectra in two locations of two linacs operating at 15 and 18 MV. Detailed models of both linac heads were used in the calculations. Spectra were estimated below the flattening filter and at the isocenter. Neutron spectra show two components due to evaporation and knock-on neutrons. Lethargy spectra under the filter were compared to the spectra calculated from the function quoted by Tosi et al. that describes reasonably well neutron spectra beyond 1 MeV, though tends to underestimate the energy region between 10{sup -6} and 1 MeV. Neutron and Bremsstrahlung spectra show the same features regardless of the linac voltage. The amount of photons and neutrons produced by the 15 MV linac is smaller than that found for the 18 MV linac. As expected, Bremsstrahlung spectra ends according to the voltage used to accelerate the electrons. (Author)

Continuing medical education effect on physician knowledge application and psychomotor skills: effectiveness of continuing medical education: American College of Chest Physicians Evidence-Based Educational Guidelines.

Science.gov (United States)

O'Neil, Kevin M; Addrizzo-Harris, Doreen J

2009-03-01

Recommendations for optimizing continuing medical education (CME) effectiveness in improving physician application of knowledge and psychomotor skills are needed to guide the development of processes that effect physician change and improve patient care. The guideline panel reviewed evidence tables and a comprehensive review of the effectiveness of CME developed by The Johns Hopkins Evidence-based Practice Center for the Agency for Healthcare Research and Quality (AHRQ Evidence Report). The panel considered studies relevant to the effect of CME on physician knowledge application and psychomotor skill development. From the 136 studies identified in the systematic review, 15 articles, 12 addressing physician application of knowledge and 3 addressing psychomotor skills, were identified and reviewed. Recommendations for optimizing CME were developed using the American College of Chest Physicians guideline grading system. The preponderance of evidence demonstrated improvement in physician application of knowledge with CME. The quality of evidence did not allow specific recommendations regarding optimal media or educational techniques or the effectiveness of CME in improving psychomotor skills. CME is effective in improving physician application of knowledge. Multiple exposures and longer durations of CME are recommended to optimize educational outcomes.

Sensing methanol concentration in direct methanol fuel cell with total harmonic distortion: Theory and application

International Nuclear Information System (INIS)

Mao Qing; Krewer, Ulrike

2012-01-01

The nonlinear frequency response of a direct methanol fuel cell (DMFC) is studied by analyzing the total harmonic distortion (THD) spectra. The dependence of the THD spectra on methanol concentration and methanol oxidation kinetics is investigated by means of both simulation and experiment. Simulation using a continuous stirred tank reactor network model suggests that the methanol concentration profile in the anode has a strong impact on the THD spectra. The experimentally observed nonlinear behavior of the DMFC anode can be qualitatively reproduced with a model containing a three-step methanol oxidation mechanism with Kauranen–Frumkin/Temkin kinetics. Both experiment and simulation results show that THD value has a monotonic correlation with methanol concentration at certain frequencies and its sensitivity to concentration is improved with increased current amplitude. The monotonic relationship enables the THD to sense the methanol concentration level by the DMFC itself, which is of mayor interest for the portable application as an external sensor for the system can be omitted.

Nanoengineering of Ruthenium and Platinum-based Nanocatalysts by Continuous-Flow Chemistry for Renewable Energy Applications

KAUST Repository

AlYami, Noktan Mohammed

2017-04-15

This thesis presents an integrated study of nanocatalysts for heterogenous catalytic and electrochemical processes using pure ruthenium (Ru) with mixed-phase and platinum-based nanomaterials synthesized by continuous-flow chemistry. There are three major challenges to the application of nanomaterials in heterogenous catalytic reactions and electrocatalytic processes in acidic solution. These challenges are the following: (i) controlling the size, shape and crystallography of nanoparticles to give the best catalytic properties, (ii) scaling these nanoparticles up to a commercial quantity (kg per day) and (iii) making stable nanoparticles that can be used catalytically without degrading in acidic electrolytes. Some crucial limitations of these nanostructured materials in energy conversion and storage applications were overcome by continuous-flow chemistry. By using a continuous-flow reactor, the creation of scalable nanoparticle systems was achieved and their functionality was modified to control the nanoparticles’ physical and chemical characteristics. The nanoparticles were also tested for long-term stability, to make sure these nanoparticles were feasible under realistic working conditions. These nanoparticles are (1) shape- and crystallography-controlled ruthenium (Ru) nanoparticles, (2) size-controlled platinum-metal (Pt-M= nickel (Ni) & copper (Cu)) nanooctahedra (while maintaining morphology) and (3) core-shell platinum@ruthenium (Pt@Ru) nanoparticles where an ultrathin ruthenium shell was templated onto the platinum core. Thus, a complete experimental validation of the formation of a scalable amount of these nanoparticles and their catalytic activity and stability towards the oxygen evolution reaction (OER) in acid medium, hydrolysis of ammonia borane (AB) along with plausible explanations were provided.

Shaping the GeV-spectra of bright blazars

Science.gov (United States)

Hunger, L.; Reimer, A.

2016-05-01

Aims: The non-thermal spectra of jetted active galactic nuclei (AGN) show a variety of shapes and degrees of curvature in their low- and high energy components. From some of the brightest Fermi-LAT blazars, prominent spectral breaks at a few GeV have been regularly detected, which is inconsistent with conventional cooling effects. We study the effects of continuous time-dependent injection of electrons into the jet with differing rates, durations, locations, and power-law spectral indices, and evaluate its impact on the ambient emitting particle spectrum that is observed at a given snapshot time in the framework of a leptonic blazar emission model. With this study, we provide a basis for analyzing ambient electron spectra in terms of injection requirements, with implications for particle acceleration modes. Methods: The emitting electron spectrum is calculated by Compton cooling the continuously injected electrons, where target photons are assumed to be provided by the accretion disk and broad line region (BLR). From this setup, we calculate the non-thermal photon spectra produced by inverse Compton scattering of these external target radiation fields using the full Compton cross-section in the head-on approximation. Results: By means of a comprehensive parameter study we present the resulting ambient electron and photon spectra, and discuss the influence of each injection parameter individually. We found that varying the injection parameters has a notable influence on the spectral shapes, which in turn can be used to set interesting constraints on the particle injection scenarios. By applying our model to the flare state spectral energy distribution (SED) of 3C 454.3, we confirm a previous suggestion that explained the observed spectral changes at a few GeV by a combination of the Compton-scattered disk and BLR radiation. We determine the required injection parameters for this scenario. We also show that this spectral turn-over can also be understood as Compton

Clustering analysis of line indices for LAMOST spectra with AstroStat

Science.gov (United States)

Chen, Shu-Xin; Sun, Wei-Min; Yan, Qi

2018-06-01

The application of data mining in astronomical surveys, such as the Large Sky Area Multi-Object Fiber Spectroscopic Telescope (LAMOST) survey, provides an effective approach to automatically analyze a large amount of complex survey data. Unsupervised clustering could help astronomers find the associations and outliers in a big data set. In this paper, we employ the k-means method to perform clustering for the line index of LAMOST spectra with the powerful software AstroStat. Implementing the line index approach for analyzing astronomical spectra is an effective way to extract spectral features for low resolution spectra, which can represent the main spectral characteristics of stars. A total of 144 340 line indices for A type stars is analyzed through calculating their intra and inter distances between pairs of stars. For intra distance, we use the definition of Mahalanobis distance to explore the degree of clustering for each class, while for outlier detection, we define a local outlier factor for each spectrum. AstroStat furnishes a set of visualization tools for illustrating the analysis results. Checking the spectra detected as outliers, we find that most of them are problematic data and only a few correspond to rare astronomical objects. We show two examples of these outliers, a spectrum with abnormal continuumand a spectrum with emission lines. Our work demonstrates that line index clustering is a good method for examining data quality and identifying rare objects.

An Investigation on Micro-Raman Spectra and Wavelet Data Analysis for Pemphigus Vulgaris Follow-up Monitoring.

Science.gov (United States)

Camerlingo, Carlo; Zenone, Flora; Perna, Giuseppe; Capozzi, Vito; Cirillo, Nicola; Gaeta, Giovanni Maria; Lepore, Maria

2008-06-01

A wavelet multi-component decomposition algorithm has been used for data analysis of micro-Raman spectra of blood serum samples from patients affected by pemphigus vulgaris at different stages. Pemphigus is a chronic, autoimmune, blistering disease of the skin and mucous membranes with a potentially fatal outcome. Spectra were measured by means of a Raman confocal microspectrometer apparatus using the 632.8 nm line of a He-Ne laser source. A discrete wavelet transform decomposition method has been applied to the recorded Raman spectra in order to overcome problems related to low-level signals and the presence of noise and background components due to light scattering and fluorescence. This numerical data treatment can automatically extract quantitative information from the Raman spectra and makes more reliable the data comparison. Even if an exhaustive investigation has not been done in this work, the feasibility of the follow-up monitoring of pemphigus vulgaris pathology has been clearly proved with useful implications for the clinical applications.

An Investigation on Micro-Raman Spectra and Wavelet Data Analysis for Pemphigus Vulgaris Follow-up Monitoring.

Directory of Open Access Journals (Sweden)

Maria Lepore

2008-06-01

Full Text Available A wavelet multi-component decomposition algorithm has been used for data analysis of micro-Raman spectra of blood serum samples from patients affected by pemphigus vulgaris at different stages. Pemphigus is a chronic, autoimmune, blistering disease of the skin and mucous membranes with a potentially fatal outcome. Spectra were measured by means of a Raman confocal microspectrometer apparatus using the 632.8 nm line of a He-Ne laser source. A discrete wavelet transform decomposition method has been applied to the recorded Raman spectra in order to overcome problems related to low-level signals and the presence of noise and background components due to light scattering and fluorescence. This numerical data treatment can automatically extract quantitative information from the Raman spectra and makes more reliable the data comparison. Even if an exhaustive investigation has not been done in this work, the feasibility of the follow-up monitoring of pemphigus vulgaris pathology has been clearly proved with useful implications for the clinical applications.

ZnO nanorod based low turn-on voltage LEDs with wide electroluminescence spectra

International Nuclear Information System (INIS)

Jha, S.K.; Kutsay, O.; Bello, I.; Lee, S.T.

2013-01-01

Light emitting diodes (LEDs) based on arrays of n-type ZnO Nanorods were fabricated on p-GaN films using a hydrothermal method. The LEDs emit mainly in blue and UV range of the light. Their current–Voltage (I–V) characteristics typically show a low leakage current (7.2 μA) and a high rectification ratio (3 5 5). Devices operate at a low turn-on voltage of ∼4.5 V. Photoluminescence (PL) and electroluminescence (EL) measurements suggest low density of ZnO defects; however, in some aspects density of interfacial defects still might be considerable in the studied devices. The PL emission is deconvoluted to three peaks that are located at wavelengths of 361, 381, and 397 nm, while the wide EL spectra are deconvoluted to five peaks appearing at 368, 385, 427, 474, and 515 nm. Near-band-edge (NBE) emission of p-GaN and n-ZnO was observed in both the PL and EL spectra. Deconvoluted EL spectra consist of a very wide green band with the peak at 515 nm and extending up to 650 nm (red), and a rarely reported EL emission at 474 nm. Origin of these emissions is discussed, herein. The electrical characteristics together with EL characteristics indicate potential to develop and study p-GaN/n-ZnO nanorod LEDs for white emitting applications. - Highlights: ► A low turn-on voltage (4–4.5 V) and low threshold (5 V) electroluminescence from ZnO/GaN heterostructure. ► A wide spectrum EL emission (360–700 nm) suitable for white LED application. ► EL spectra consist of a rarely reported emission band with peak at 474 nm. ► Low-temperature and solution based fabrication, which is scalable and of low cost.

Uncertainties related to numerical methods for neutron spectra unfolding

International Nuclear Information System (INIS)

Glodic, S.; Ninkovic, M.; Adarougi, N.A.

1987-10-01

One of the often used techniques for neutron detection in radiation protection utilities is the Bonner multisphere spectrometer. Besides its advantages and universal applicability for evaluating integral parameters of neutron fields in health physics practices, the outstanding problems of the method are data analysis and the accuracy of the results. This paper briefly discusses some numerical problems related to neutron spectra unfolding, such as uncertainty of the response matrix as a source of error, and the possibility of real time data reduction using spectrometers. (author)

PCA: Principal Component Analysis for spectra modeling

Science.gov (United States)

Hurley, Peter D.; Oliver, Seb; Farrah, Duncan; Wang, Lingyu; Efstathiou, Andreas

2012-07-01

The mid-infrared spectra of ultraluminous infrared galaxies (ULIRGs) contain a variety of spectral features that can be used as diagnostics to characterize the spectra. However, such diagnostics are biased by our prior prejudices on the origin of the features. Moreover, by using only part of the spectrum they do not utilize the full information content of the spectra. Blind statistical techniques such as principal component analysis (PCA) consider the whole spectrum, find correlated features and separate them out into distinct components. This code, written in IDL, classifies principal components of IRS spectra to define a new classification scheme using 5D Gaussian mixtures modelling. The five PCs and average spectra for the four classifications to classify objects are made available with the code.

Reflectance spectra characteristics from an SPR grating fabricated by nano-imprint lithography technique for biochemical nanosensor applications

Science.gov (United States)

Setiya Pradana, Jalu; Hidayat, Rahmat

2018-04-01

In this paper, we report our research work on developing a Surface Plasmon Resonance (SPR) element with sub-micron (hundreds of nanometers) periodicity grating structure. This grating structure was fabricated by using a simple nano-imprint lithography technique from an organically siloxane polymers, which was then covered by nanometer thin gold layer. The formed grating structure was a very well defined square-shaped periodic structure. The measured reflectance spectra indicate the SPR wave excitation on this grating structure. For comparison, the simulations of reflectance spectra have been also carried out by using Rigorous Coupled-Wave Analysis (RCWA) method. The experimental results are in very good agreement with the simulation results.

Use of orthonormal polynomial expansion method to the description of the energy spectra of biological liquids

International Nuclear Information System (INIS)

Bogdanova, N.B.; Todorov, S.T.; Ososkov, G.A.

2015-01-01

Orthonormal polynomial expansion method (OPEM) is applied to the data obtained by the method of energy spectra to the liquid of the biomass of wheat in the case when herbicides are used. Since the biomass of a biological object contains liquid composed mainly of water, the method of water spectra is applicable to this case as well. For comparison, the similar data obtained from control sample consisting of wheat liquid without the application of herbicides are shown. The total variance OPEM is involved including errors in both dependent and independent variables. Special criteria are used for evaluating the optimal polynomial degree and the number of iterations. The presented numerical results show good agreement with the experimental data. The developed analysis frame is of interest for future analysis in theoretical ecology.

Learning Experiences and Gains from Continuing Professional Education and Their Applicability to Work for Japanese Government Officials

Science.gov (United States)

Noda, Ayaka; Kim, Mikyong Minsun

2014-01-01

This study aims to understand the perceived learning experiences and gains for Japanese government officials from US and Japanese graduate and professional schools, and how applicable their continuing professional education (CPE) is to professional performance. Interview participants were drawn from long-term overseas and domestic fellowship…

Optical absorption spectra of Ag-11 isomers

DEFF Research Database (Denmark)

Martinez, Jose Ignacio; Fernandez, E. M.

2009-01-01

The optical absorption spectra of the three most; stable structural isomers of the Ag-11 cluster were calculated using the time-dependent, density functional theory within the Casida formalism. The slightly different, spectra, of the isomers may permit the identification of the ground-stale confi......The optical absorption spectra of the three most; stable structural isomers of the Ag-11 cluster were calculated using the time-dependent, density functional theory within the Casida formalism. The slightly different, spectra, of the isomers may permit the identification of the ground...

Studying the highly bent spectra of FR II-type radio galaxies with the KDA EXT model

Science.gov (United States)

Kuligowska, Elżbieta

2018-04-01

Context. The Kaiser, Dennett-Thorpe & Alexander (KDA, 1997, MNRAS, 292, 723) EXT model, that is, the extension of the KDA model of Fanaroff & Riley (FR) II-type source evolution, is applied and confronted with the observational data for selected FR II-type radio sources with significantly aged radio spectra. Aim. A sample of FR II-type radio galaxies with radio spectra strongly bent at their highest frequencies is used for testing the usefulness of the KDA EXT model. Methods: The dynamical evolution of FR II-type sources predicted with the KDA EXT model is briefly presented and discussed. The results are then compared to the ones obtained with the classical KDA approach, assuming the source's continuous injection and self-similarity. Results: The results and corresponding diagrams obtained for the eight sample sources indicate that the KDA EXT model predicts the observed radio spectra significantly better than the best spectral fit provided by the original KDA model.

The measurement of neutron and neutron induced photon spectra in fusion reactor related assemblies

CERN Document Server

Unholzer, S; Klein, H; Seidel, K

2002-01-01

The spectral neutron and photon fluence (or flux) measured outside and inside of assemblies related to fusion reactor constructions are basic quantities of fusion neutronics. The comparison of measured spectra with the results of MCNP neutron and photon transport calculations allows a crucial test of evaluated nuclear data as generally used in fusion applications to be carried out. The experiments concern mixed neutron/photon fields with about the same intensity of the two components. An NE-213 scintillation spectrometer, well described by response matrices for both neutrons and photons, is used as proton-recoil and Compton spectrometer. The experiments described here in more detail address the background problematic of two applications, an iron benchmark experiment with an ns-pulsed neutron source and a deep penetration mock-up experiment for the investigation of the ITER in-board shield system. The measured spectral neutron and photon fluences are compared with spectra calculated with the MCNP code on the b...

Vibronic spectra of Gd3+ in metaphosphate glasses: Comparison with Raman and infrared spectra

International Nuclear Information System (INIS)

Hall, D.W.; Brawer, S.A.; Weber, M.J.

1982-01-01

Vibronic sidebands associated with the 6 P/sub 7/2/→ 8 S/sub 7/2/ transition of Gd 3+ -doped metaphosphate glasses are observed using line-narrowed fluorescence techniques. Glasses having metal cations of different mass and charge (La,Al,Mg,Ba) are examined. Vibronic spectra, which probe vibrations about the rare-earth element site, are compared with polarized Raman scattering data and the infrared dielectric constant obtained from near-normal reflectance measurements. Results indicate that in metaphosphate glasses vibronic selection rules are similar to HV (vertical height) Raman selection rules. The wavelengths and relative intensities of peaks in the high-frequency portion of the vibronic spectra change with respect to corresponding peaks in the Raman spectra when the mass and/or charge of Gd 3+ differs significantly from that of the metal cation

Application of direct peak analysis to energy dispersive x-ray fluorescence spectra

International Nuclear Information System (INIS)

Nielson, K.K.

1977-07-01

A modified Covell method for direct peak analysis has been applied to energy dispersive x-ray fluorescence spectra. The method is background independent and is well-suited to computerized data reduction. It provides acceptable precision, minimizes errors from instrumental gain shift, and permits peak overlap correction. Peak overlap errors exhibit both positive and negative nodes as a function of peak separation distance, and are corrected using concentration ratios determined from thin, single-element standards. Peak precisions and overlaps are evaluated as a function of window width to aid in width selection. Least-square polynomial smoothing prior to peak analysis significantly improves peak area precisions without significantly affecting their accuracies

Reduction of chemical formulas from the isotopic peak distributions of high-resolution mass spectra.

Science.gov (United States)

Roussis, Stilianos G; Proulx, Richard

2003-03-15

A method has been developed for the reduction of the chemical formulas of compounds in complex mixtures from the isotopic peak distributions of high-resolution mass spectra. The method is based on the principle that the observed isotopic peak distribution of a mixture of compounds is a linear combination of the isotopic peak distributions of the individual compounds in the mixture. All possible chemical formulas that meet specific criteria (e.g., type and number of atoms in structure, limits of unsaturation, etc.) are enumerated, and theoretical isotopic peak distributions are generated for each formula. The relative amount of each formula is obtained from the accurately measured isotopic peak distribution and the calculated isotopic peak distributions of all candidate formulas. The formulas of compounds in simple spectra, where peak components are fully resolved, are rapidly determined by direct comparison of the calculated and experimental isotopic peak distributions. The singular value decomposition linear algebra method is used to determine the contributions of compounds in complex spectra containing unresolved peak components. The principles of the approach and typical application examples are presented. The method is most useful for the characterization of complex spectra containing partially resolved peaks and structures with multiisotopic elements.

The structure of BPS spectra

Science.gov (United States)

Longhi, Pietro

In this thesis we develop and apply novel techniques for analyzing BPS spectra of supersymmetric quantum field theories of class S. By a combination of wall-crossing, spectral networks and quiver methods we explore the BPS spectra of higher rank four-dimensional N = 2 super Yang-Mills, uncovering surprising new phenomena. Focusing on the SU(3) case, we prove the existence of wild BPS spectra in field theory, featuring BPS states of higher spin whose degeneracies grow exponentially with the energy. The occurrence of wild BPS states is surprising because it appears to be in tension with physical expectations on the behavior of the entropy as a function of the energy scale. The solution to this puzzle comes from realizing that the size of wild BPS states grows rapidly with their mass, and carefully analyzing the volume-dependence of the entropy of BPS states. We also find some interesting structures underlying wild BPS spectra, such as a Regge-like relation between the maximal spin of a BPS multiplet and the square of its mass, and the existence of a universal asymptotic distribution of spin-j irreps within a multiplet of given charge. We also extend the spectral networks construction by introducing a refinement in the topological classification of 2d-4d BPS states, and identifying their spin with a topological invariant known as the "writhe of soliton paths". A careful analysis of the 2d-4d wall-crossing behavior of this refined data reveals that it is described by motivic Kontsevich-Soibelman transformations, controlled by the Protected Spin Character, a protected deformation of the BPS index encoding the spin of BPS states. Our construction opens the way for the systematic study of refined BPS spectra in class S theories. We apply it to several examples, including ones featuring wild BPS spectra, where we find an interesting relation between spectral networks and certain functional equations. For class S theories of A 1 type, we derive an alternative technique for

Exciton Scattering approach for conjugated macromolecules: from electronic spectra to electron-phonon coupling

Science.gov (United States)

Tretiak, Sergei

2014-03-01

The exciton scattering (ES) technique is a multiscale approach developed for efficient calculations of excited-state electronic structure and optical spectra in low-dimensional conjugated macromolecules. Within the ES method, the electronic excitations in the molecular structure are attributed to standing waves representing quantum quasi-particles (excitons), which reside on the graph. The exciton propagation on the linear segments is characterized by the exciton dispersion, whereas the exciton scattering on the branching centers is determined by the energy-dependent scattering matrices. Using these ES energetic parameters, the excitation energies are then found by solving a set of generalized ``particle in a box'' problems on the graph that represents the molecule. All parameters can be extracted from quantum-chemical computations of small molecular fragments and tabulated in the ES library for further applications. Subsequently, spectroscopic modeling for any macrostructure within considered molecular family could be performed with negligible numerical effort. The exciton scattering properties of molecular vertices can be further described by tight-binding or equivalently lattice models. The on-site energies and hopping constants are obtained from the exciton dispersion and scattering matrices. Such tight-binding model approach is particularly useful to describe the exciton-phonon coupling, energetic disorder and incoherent energy transfer in large branched conjugated molecules. Overall the ES applications accurately reproduce the optical spectra compared to the reference quantum chemistry results, and make possible to predict spectra of complex macromolecules, where conventional electronic structure calculations are unfeasible.

Statistical analysis and digital processing of the Mössbauer spectra

International Nuclear Information System (INIS)

Prochazka, Roman; Tucek, Jiri; Mashlan, Miroslav; Pechousek, Jiri; Tucek, Pavel; Marek, Jaroslav

2010-01-01

This work is focused on using the statistical methods and development of the filtration procedures for signal processing in Mössbauer spectroscopy. Statistical tools for noise filtering in the measured spectra are used in many scientific areas. The use of a pure statistical approach in accumulated Mössbauer spectra filtration is described. In Mössbauer spectroscopy, the noise can be considered as a Poisson statistical process with a Gaussian distribution for high numbers of observations. This noise is a superposition of the non-resonant photons counting with electronic noise (from γ-ray detection and discrimination units), and the velocity system quality that can be characterized by the velocity nonlinearities. The possibility of a noise-reducing process using a new design of statistical filter procedure is described. This mathematical procedure improves the signal-to-noise ratio and thus makes it easier to determine the hyperfine parameters of the given Mössbauer spectra. The filter procedure is based on a periodogram method that makes it possible to assign the statistically important components in the spectral domain. The significance level for these components is then feedback-controlled using the correlation coefficient test results. The estimation of the theoretical correlation coefficient level which corresponds to the spectrum resolution is performed. Correlation coefficient test is based on comparison of the theoretical and the experimental correlation coefficients given by the Spearman method. The correctness of this solution was analyzed by a series of statistical tests and confirmed by many spectra measured with increasing statistical quality for a given sample (absorber). The effect of this filter procedure depends on the signal-to-noise ratio and the applicability of this method has binding conditions

Statistical analysis and digital processing of the Mössbauer spectra

Science.gov (United States)

Prochazka, Roman; Tucek, Pavel; Tucek, Jiri; Marek, Jaroslav; Mashlan, Miroslav; Pechousek, Jiri

2010-02-01

This work is focused on using the statistical methods and development of the filtration procedures for signal processing in Mössbauer spectroscopy. Statistical tools for noise filtering in the measured spectra are used in many scientific areas. The use of a pure statistical approach in accumulated Mössbauer spectra filtration is described. In Mössbauer spectroscopy, the noise can be considered as a Poisson statistical process with a Gaussian distribution for high numbers of observations. This noise is a superposition of the non-resonant photons counting with electronic noise (from γ-ray detection and discrimination units), and the velocity system quality that can be characterized by the velocity nonlinearities. The possibility of a noise-reducing process using a new design of statistical filter procedure is described. This mathematical procedure improves the signal-to-noise ratio and thus makes it easier to determine the hyperfine parameters of the given Mössbauer spectra. The filter procedure is based on a periodogram method that makes it possible to assign the statistically important components in the spectral domain. The significance level for these components is then feedback-controlled using the correlation coefficient test results. The estimation of the theoretical correlation coefficient level which corresponds to the spectrum resolution is performed. Correlation coefficient test is based on comparison of the theoretical and the experimental correlation coefficients given by the Spearman method. The correctness of this solution was analyzed by a series of statistical tests and confirmed by many spectra measured with increasing statistical quality for a given sample (absorber). The effect of this filter procedure depends on the signal-to-noise ratio and the applicability of this method has binding conditions.

Process analytical technology in continuous manufacturing of a commercial pharmaceutical product.

Science.gov (United States)

Vargas, Jenny M; Nielsen, Sarah; Cárdenas, Vanessa; Gonzalez, Anthony; Aymat, Efrain Y; Almodovar, Elvin; Classe, Gustavo; Colón, Yleana; Sanchez, Eric; Romañach, Rodolfo J

2018-03-01

The implementation of process analytical technology and continuous manufacturing at an FDA approved commercial manufacturing site is described. In this direct compaction process the blends produced were monitored with a Near Infrared (NIR) spectroscopic calibration model developed with partial least squares (PLS) regression. The authors understand that this is the first study where the continuous manufacturing (CM) equipment was used as a gravimetric reference method for the calibration model. A principal component analysis (PCA) model was also developed to identify the powder blend, and determine whether it was similar to the calibration blends. An air diagnostic test was developed to assure that powder was present within the interface when the NIR spectra were obtained. The air diagnostic test as well the PCA and PLS calibration model were integrated into an industrial software platform that collects the real time NIR spectra and applies the calibration models. The PCA test successfully detected an equipment malfunction. Variographic analysis was also performed to estimate the sampling analytical errors that affect the results from the NIR spectroscopic method during commercial production. The system was used to monitor and control a 28 h continuous manufacturing run, where the average drug concentration determined by the NIR method was 101.17% of label claim with a standard deviation of 2.17%, based on 12,633 spectra collected. The average drug concentration for the tablets produced from these blends was 100.86% of label claim with a standard deviation of 0.4%, for 500 tablets analyzed by Fourier Transform Near Infrared (FT-NIR) transmission spectroscopy. The excellent agreement between the mean drug concentration values in the blends and tablets produced provides further evidence of the suitability of the validation strategy that was followed. Copyright © 2018 Elsevier B.V. All rights reserved.

Infrared Spectra and Optical Constants of Elusive Amorphous Methane

Science.gov (United States)

Gerakines, Perry A.; Hudson, Reggie L.

2015-01-01

New and accurate laboratory results are reported for amorphous methane (CH4) ice near 10 K for the study of the interstellar medium (ISM) and the outer Solar System. Near- and mid-infrared (IR) data, including spectra, band strengths, absorption coefficients, and optical constants, are presented for the first time for this seldom-studied amorphous solid. The apparent IR band strength near 1300 cm(exp -1) (7.69 micrometer) for amorphous CH4 is found to be about 33% higher than the value long used by IR astronomers to convert spectral observations of interstellar CH4 into CH4 abundances. Although CH4 is most likely to be found in an amorphous phase in the ISM, a comparison of results from various laboratory groups shows that the earlier CH4 band strength at 1300 cm(exp -1) (7.69 micrometer) was derived from IR spectra of ices that were either partially or entirely crystalline CH4 Applications of the new amorphous-CH4 results are discussed, and all optical constants are made available in electronic form.

Absorption spectra analysis of hydrated uranium(III) complex chlorides

Science.gov (United States)

Karbowiak, M.; Gajek, Z.; Drożdżyński, J.

2000-11-01

Absorption spectra of powdered samples of hydrated uranium(III) complex chlorides of the formulas NH 4UCl 4 · 4H 2O and CsUCl 4 · 3H 2O have been recorded at 4.2 K in the 4000-26 000 cm -1 range. The analysis of the spectra enabled the determination of crystal-field parameters and assignment of 83 and 77 crystal-field levels for the tetrahydrate and trihydrate, respectively. The energies of the levels were computed by applying a simplified angular overlap model as well as a semiempirical Hamiltonian representing the combined atomic and crystal-field interactions. Ab initio calculations have enabled the application of a simplified parameterization and the determination of the starting values of the AOM parameters. The received results have proved that the AOM approach can quite well predict both the structure of the ground multiplet and the positions of the crystal-field levels in the 17 000-25 000 cm -1 range, usually obscured by strong f-d bands.

General Notes on Processes and Their Spectra

Directory of Open Access Journals (Sweden)

Gustav Cepciansky

2012-01-01

Full Text Available The frequency spectrum performs one of the main characteristics of a process. The aim of the paper is to show the coherence between the process and its own spectrum and how the behaviour and properties of a process itself can be deduced from its spectrum. Processes are categorized and general principles of their spectra calculation and recognition are given. The main stress is put on power spectra of electric and optic signals, as they also perform a kind of processes. These spectra can be directly measured, observed and examined by means of spectral analyzers and they are very important characteristics which can not be omitted at transmission techniques in telecommunication technologies. Further, the paper also deals with non electric processes, mainly with processes and spectra at mass servicing and how these spectra can be utilised in praxis.

THE Be STAR SPECTRA (BeSS) DATABASE

International Nuclear Information System (INIS)

Neiner, C.; De Batz, B.; Cochard, F.; Floquet, M.; Mekkas, A.; Desnoux, V.

2011-01-01

Be stars vary on many timescales, from hours to decades. A long time base of observations to analyze certain phenomena in these stars is therefore necessary. Collecting all existing and future Be star spectra into one database has thus emerged as an important tool for the Be star community. Moreover, for statistical studies, it is useful to have centralized information on all known Be stars via an up-to-date catalog. These two goals are what the Be Star Spectra (BeSS, http://basebe.obspm.fr) database proposes to achieve. The database contains an as-complete-as-possible catalog of known Be stars with stellar parameters, as well as spectra of Be stars from all origins (any wavelength, any epoch, any resolution, etc.). It currently contains over 54,000 spectra of more than 600 different Be stars among the ∼2000 Be stars in the catalog. A user can access and query this database to retrieve information on Be stars or spectra. Registered members can also upload spectra to enrich the database. Spectra obtained by professional as well as amateur astronomers are individually validated in terms of format and science before being included in BeSS. In this paper, we present the database itself as well as examples of the use of BeSS data in terms of statistics and the study of individual stars.

IRAS low-resolution spectra of galaxies

International Nuclear Information System (INIS)

Cohen, M.; Volk, K.

1989-01-01

The spectra of external galaxies are selected and extracted from the IRAS LRS database. Twenty-one objects present viable spectra. One is a peculiar star-forming E-S0 galaxy. The remainder are all starburst or H II region galaxies. Their average spectrum demonstrates the importance of the PAH emission bands in the 8-23-micron region and reinforces the conclusion reached from ground-based spectra, that there is a strong correlation between the PAH bands and the starburst or H II region character of a galaxy. 32 refs

Peakr: simulating solid-state NMR spectra of proteins

International Nuclear Information System (INIS)

Schneider, Robert; Odronitz, Florian; Hammesfahr, Bjorn; Hellkamp, Marcel; Kollmar, Martin

2013-01-01

When analyzing solid-state nuclear magnetic resonance (NMR) spectra of proteins, assignment of resonances to nuclei and derivation of restraints for 3D structure calculations are challenging and time-consuming processes. Simulated spectra that have been calculated based on, for example, chemical shift predictions and structural models can be of considerable help. Existing solutions are typically limited in the type of experiment they can consider and difficult to adapt to different settings. Here, we present Peakr, a software to simulate solid-state NMR spectra of proteins. It can generate simulated spectra based on numerous common types of internuclear correlations relevant for assignment and structure elucidation, can compare simulated and experimental spectra and produces lists and visualizations useful for analyzing measured spectra. Compared with other solutions, it is fast, versatile and user friendly. (authors)

Analytic continuation of quantum Monte Carlo data by stochastic analytical inference.

Science.gov (United States)

Fuchs, Sebastian; Pruschke, Thomas; Jarrell, Mark

2010-05-01

We present an algorithm for the analytic continuation of imaginary-time quantum Monte Carlo data which is strictly based on principles of Bayesian statistical inference. Within this framework we are able to obtain an explicit expression for the calculation of a weighted average over possible energy spectra, which can be evaluated by standard Monte Carlo simulations, yielding as by-product also the distribution function as function of the regularization parameter. Our algorithm thus avoids the usual ad hoc assumptions introduced in similar algorithms to fix the regularization parameter. We apply the algorithm to imaginary-time quantum Monte Carlo data and compare the resulting energy spectra with those from a standard maximum-entropy calculation.

Initial electron energy spectra in water irradiated by photons with energies to 1 GeV

International Nuclear Information System (INIS)

Todo, A.S.; Hiromoto, G.; Turner, J.E.; Hamm, R.N.; Wright, H.A.

1984-02-01

This work was undertaken to provide basic physical data for use in the dosimetry of high-energy photons. Present and future sources of such photons are described, and the relevant literature is reviewed and summarized. Calculations were performed with a Monte Carlo computer code, PHOEL-3, which is also described. Tables of initial electron and positron energies are presented for monoenergetic photons undergoing single interactions in water. Photon energies to 1 GeV are treated. The code treats explicitly the production of electron-positron pairs, Compton scattering, photoelectric absorption, and the emission of Auger electrons following the occurrence of K-shell vacancies in oxygen. The tables give directly the information needed to specify the absolute single-collision kerma in water, which approximates tissue, at each photon energy. Results for continuous photon energy spectra can be obtained by using linear interpolation with the tables. (Continuous spectra can also be used directly in PHOEL-3.) The conditions under whch first-collision kerma approximate absorbed dose are discussed. A formula is given for estimating bremsstrahlung energy loss, one of the principal differences between kerma and absorbed dose in practical cases. 31 references, 4 figures, 18 tables

Aspirated capacitor measurements of air conductivity and ion mobility spectra

International Nuclear Information System (INIS)

Aplin, K.L.

2005-01-01

Measurements of ions in atmospheric air are used to investigate atmospheric electricity and particulate pollution. Commonly studied ion parameters are (1) air conductivity, related to the total ion number concentration, and (2) the ion mobility spectrum, which varies with atmospheric composition. The physical principles of air ion instrumentation are long established. A recent development is the computerized aspirated capacitor, which measures ions from (a) the current of charged particles at a sensing electrode, and (b) the rate of charge exchange with an electrode at a known initial potential, relaxing to a lower potential. As the voltage decays, only ions of higher and higher mobility are collected by the central electrode and contribute to the further decay of the voltage. This enables extension of the classical theory to calculate ion mobility spectra by inverting voltage decay time series. In indoor air, ion mobility spectra determined from both the voltage decay inversion, and an established voltage switching technique, were compared and shown to be of similar shape. Air conductivities calculated by integration were: 5.3±2.5 and 2.7±1.1 fSm -1 , respectively, with conductivity determined to be 3 fSm -1 by direct measurement at a constant voltage. Applications of the relaxation potential inversion method include air ion mobility spectrum retrieval from historical data, and computation of ion mobility spectra in planetary atmospheres

JADSPE, Multi-Channel Gamma Spectra Unfolding Program

International Nuclear Information System (INIS)

Rikovska, J.; Stejskalova, E.

2005-01-01

1 - Description of program or function: JADSPE is a package of eight programs to process multi-channel gamma-ray spectra. The programs can be used to: - locate automatically spectral peaks and calculate their positions, areas, and full widths at half maximum (FWHM); - plot the spectra on a CALCOMP plotter, TEKTRONIX terminal or a line printer; - add or subtract several spectra with the possibility of adjusting either their start and end channels or the maxima of the chosen corresponding peaks. The JADSPE package comprises the following programs: - SPECTF: automatic location of peaks and calculation of their positions, areas and FWHMS. The standard deviations of peak parameters are also determined, and each evaluated region is plotted on the line printer. - SPECT1: The areas and FWHMs are calculated for peaks whose positions are known beforehand. The standard deviations of calculated parameters are also determined, and each evaluated region is plotted on the line printer. - PLOCHA: The peak net area is calculated by summing the channel contents in specified regions and by subtracting a linear background. - GRAPH: Spectrum plotting on the line printer. - PLTNEW: Spectrum plotting on CALCOMP plotter or on TEKTRONIX terminal. - SUMDIF: The channel contents of several gamma-ray spectra are added or subtracted. - SSPFP: The channel contents of several gamma-ray spectra are added with adjustment of the maxima of specified peaks. - SOUCET: The channel contents of several gamma-ray spectra are added with the adjustment of start and end channels of the spectra. 2 - Method of solution: Non-linear least-square fit. 3 - Restrictions on the complexity of the problem: The full energy peaks are approximated by a symmetrical Gaussian function and the underlying background is approximated by a first-order polynomial. A fixed spectrum length of 4096 channels is assumed. Maxima of: - number of peaks in one multiplet: 9; - number of peaks identified by the automatic search procedure

In silico fragmentation for computer assisted identification of metabolite mass spectra

Directory of Open Access Journals (Sweden)

Müller-Hannemann Matthias

2010-03-01

application, web services and as java library. The web frontend allows the end-user to analyse single spectra and browse the results, whereas the web service and console application are aimed to perform batch searches and evaluation.

Transforming between discrete and continuous angle distribution models: application to protein χ1 torsions

International Nuclear Information System (INIS)

Schmidt, Jürgen M.

2012-01-01

Two commonly employed angular-mobility models for describing amino-acid side-chain χ 1 torsion conformation, the staggered-rotamer jump and the normal probability density, are discussed and performance differences in applications to scalar-coupling data interpretation highlighted. Both models differ in their distinct statistical concepts, representing discrete and continuous angle distributions, respectively. Circular statistics, introduced for describing torsion-angle distributions by using a universal circular order parameter central to all models, suggest another distribution of the continuous class, here referred to as the elliptic model. Characteristic of the elliptic model is that order parameter and circular variance form complementary moduli. Transformations between the parameter sets that describe the probability density functions underlying the different models are provided. Numerical aspects of parameter optimization are considered. The issues are typified by using a set of χ 1 related 3 J coupling constants available for FK506-binding protein. The discrete staggered-rotamer model is found generally to produce lower order parameters, implying elevated rotatory variability in the amino-acid side chains, whereas continuous models tend to give higher order parameters that suggest comparatively less variation in angle conformations. The differences perceived regarding angular mobility are attributed to conceptually different features inherent to the models.

EFFECTS OF FORSTERITE GRAIN SHAPE ON INFRARED SPECTRA

International Nuclear Information System (INIS)

Koike, C.; Imai, Y.; Chihara, H.; Murata, K.; Tsuchiyama, A.; Suto, H.; Tachibana, S.; Ohara, S.

2010-01-01

The Infrared Space Observatory (ISO) detected several sharp infrared features around young stars, comets, and evolved stars. These sharp features were identified as Mg-rich crystalline silicates of forsterite and enstatite by comparison with spectra from laboratory data. However, certain infrared emission bands in the observed spectra cannot be identified because they appear at slightly shorter wavelengths than the peaks in forsterite laboratory spectra, where the shapes of forsterite particles are irregular. To solve this problem, we measured infrared spectra of forsterite grains of various shapes (irregular, plate-like with no sharp edges, elliptical, cauliflower, and spherical) in the infrared spectral region between 5 and 100 μm. The spectra depend on particle shape. The spectra of the 11, 19, 23, and 33 μm bands, in particular, are extremely sensitive to particle shape, whereas some peaks such as the 11.9, 49, and 69 μm bands remained almost unchanged despite different particle shapes. This becomes most evident from the spectra of near-spherical particles produced by annealing an originally amorphous silicate sample at temperature from 600 to 1150 deg. C. The spectra of these samples differ strongly from those of other ones, showing peaks at much shorter wavelengths. At a higher annealing temperature of 1200 deg. C, the particle shapes changed drastically from spherical to irregular and the spectra became similar to those of forsterite particles with irregular shapes. Based on ISO data and other observational data, the spectra of outflow sources and disk sources may correspond to differences in forsterite shape, and further some unidentified peaks, such as those at 32.8 or 32.5 μm, may be due to spherical or spherical-like forsterite.

Manifestation of hydrogen bonds of aqueous ethanol solutions in the Raman scattering spectra

International Nuclear Information System (INIS)

Dolenko, T A; Burikov, S A; Patsaeva, S V; Yuzhakov, V I

2011-01-01

Spectra of Raman scattering of light by aqueous ethanol solutions in the range of concentrations from pure water to 96% alcohol are studied. For water, 25%, and 40% solutions of ethanol in water, as well as for 96% alcohol the Raman spectra are measured at temperatures from the freezing point to nearly the boiling point. The changes in the shape of the stretching OH band are interpreted in terms of strengthening or weakening of hydrogen bonds between the molecules in the solution. The strongest hydrogen bonding of hydroxyl groups is observed at the ethanol content from 20 to 25 volume percent, which is explained by formation of ethanol hydrates of a definite type at the mentioned concentrations of alcohol. This is confirmed by means of the method of multivariate curve resolution, used to analyse the Raman spectra of aqueous ethanol solutions. With growing temperature the weakening of hydrogen bonding occurs in all studied systems, which consists in reducing the number of OH groups, linked by strong hydrogen bonds. (laser applications and other problems in quantum electronics)

Trident: A Universal Tool for Generating Synthetic Absorption Spectra from Astrophysical Simulations

Energy Technology Data Exchange (ETDEWEB)

Hummels, Cameron B. [TAPIR, California Institute of Technology, Pasadena, CA 91125 (United States); Smith, Britton D. [San Diego Supercomputer Center, University of California, San Diego, CA 92121 (United States); Silvia, Devin W. [Department of Physics and Astronomy, Michigan State University, East Lansing, MI 48824 (United States)

2017-09-20

Hydrodynamical simulations are increasingly able to accurately model physical systems on stellar, galactic, and cosmological scales; however, the utility of these simulations is often limited by our ability to directly compare them with the data sets produced by observers: spectra, photometry, etc. To address this problem, we have created trident, a Python-based open-source tool for post-processing hydrodynamical simulations to produce synthetic absorption spectra and related data. trident can (i) create absorption-line spectra for any trajectory through a simulated data set mimicking both background quasar and down-the-barrel configurations; (ii) reproduce the spectral characteristics of common instruments like the Cosmic Origins Spectrograph; (iii) operate across the ultraviolet, optical, and infrared using customizable absorption-line lists; (iv) trace simulated physical structures directly to spectral features; (v) approximate the presence of ion species absent from the simulation outputs; (vi) generate column density maps for any ion; and (vii) provide support for all major astrophysical hydrodynamical codes. trident was originally developed to aid in the interpretation of observations of the circumgalactic medium and intergalactic medium, but it remains a general tool applicable in other contexts.

Trident: A Universal Tool for Generating Synthetic Absorption Spectra from Astrophysical Simulations

Science.gov (United States)

Hummels, Cameron B.; Smith, Britton D.; Silvia, Devin W.

2017-09-01

Hydrodynamical simulations are increasingly able to accurately model physical systems on stellar, galactic, and cosmological scales; however, the utility of these simulations is often limited by our ability to directly compare them with the data sets produced by observers: spectra, photometry, etc. To address this problem, we have created trident, a Python-based open-source tool for post-processing hydrodynamical simulations to produce synthetic absorption spectra and related data. trident can (I) create absorption-line spectra for any trajectory through a simulated data set mimicking both background quasar and down-the-barrel configurations; (II) reproduce the spectral characteristics of common instruments like the Cosmic Origins Spectrograph; (III) operate across the ultraviolet, optical, and infrared using customizable absorption-line lists; (IV) trace simulated physical structures directly to spectral features; (v) approximate the presence of ion species absent from the simulation outputs; (VI) generate column density maps for any ion; and (vii) provide support for all major astrophysical hydrodynamical codes. trident was originally developed to aid in the interpretation of observations of the circumgalactic medium and intergalactic medium, but it remains a general tool applicable in other contexts.

Trident: A Universal Tool for Generating Synthetic Absorption Spectra from Astrophysical Simulations

International Nuclear Information System (INIS)

Hummels, Cameron B.; Smith, Britton D.; Silvia, Devin W.

2017-01-01

Hydrodynamical simulations are increasingly able to accurately model physical systems on stellar, galactic, and cosmological scales; however, the utility of these simulations is often limited by our ability to directly compare them with the data sets produced by observers: spectra, photometry, etc. To address this problem, we have created trident, a Python-based open-source tool for post-processing hydrodynamical simulations to produce synthetic absorption spectra and related data. trident can (i) create absorption-line spectra for any trajectory through a simulated data set mimicking both background quasar and down-the-barrel configurations; (ii) reproduce the spectral characteristics of common instruments like the Cosmic Origins Spectrograph; (iii) operate across the ultraviolet, optical, and infrared using customizable absorption-line lists; (iv) trace simulated physical structures directly to spectral features; (v) approximate the presence of ion species absent from the simulation outputs; (vi) generate column density maps for any ion; and (vii) provide support for all major astrophysical hydrodynamical codes. trident was originally developed to aid in the interpretation of observations of the circumgalactic medium and intergalactic medium, but it remains a general tool applicable in other contexts.

Equivalent half-value thickness and mean energies of filtered X-ray bremsstrahlung spectra

International Nuclear Information System (INIS)

Seelentag, W.W.; Panzer, W.

1980-01-01

X-ray beam qualities are often conveniently described by half-value thicknesses (in connection with tube voltage and filtration). Aluminium and copper are commonly used as half-value thickness materials, and either material may be used in a large intermediate energy range. Data comparisons frequently require conversions from values in Al to values in Cu. Equivalent half-value thicknesses for polychromatic radiations depend on the shapes of the spectra, but spectrometry is too expensive for routine application. Half-value thicknesses in both Al and Cu have been determined for some 250 spectra (tube potentials 10 to 300 kV). The results are tabulated, and these results together with a nomogram enable conversion with an accuracy of better than +- 5% in most cases. (UK)

Effect of Shear Applied During a Pharmaceutical Process on Near Infrared Spectra.

Science.gov (United States)

Hernández, Eduardo; Pawar, Pallavi; Rodriguez, Sandra; Lysenko, Sergiy; Muzzio, Fernando J; Romañach, Rodolfo J

2016-03-01

This study describes changes observed in the near-infrared (NIR) diffuse reflectance (DR) spectra of pharmaceutical tablets after these tablets were subjected to different levels of strain (exposure to shear) during the mixing process. Powder shearing is important in the mixing of powders that are cohesive. Shear stress is created in a system by moving one surface over another causing displacements in the direction of the moving surface and is part of the mixing dynamics of particulates in many industries including the pharmaceutical industry. In continuous mixing, shear strain is developed within the process when powder particles are in constant movement and can affect the quality attributes of the final product such as dissolution. These changes in the NIR spectra could affect results obtained from NIR calibration models. The aim of the study was to understand changes in the NIR diffuse reflectance spectra that can be associated with different levels of strain developed during blend shearing of laboratory samples. Shear was applied using a Couette cell and tablets were produced using a tablet press emulator. Tablets with different shear levels were measured using NIR spectroscopy in the diffuse reflectance mode. The NIR spectra were baseline corrected to maintain the scattering effect associated with the physical properties of the tablet surface. Principal component analysis was used to establish the principal sources of variation within the samples. The angular dependence of elastic light scattering shows that the shear treatment reduces the size of particles and produces their uniform and highly isotropic distribution. Tablet compaction further reduces the diffuse component of scattering due to realignment of particles. © The Author(s) 2016.

Efficient "on-the-fly" calculation of Raman spectra from ab-initio molecular dynamics: Application to hydrophobic/hydrophilic solutes in bulk water.

Science.gov (United States)

Partovi-Azar, Pouya; Kühne, Thomas D

2015-11-05

We present a novel computational method to accurately calculate Raman spectra from first principles. Together with an extension of the second-generation Car-Parrinello method of Kühne et al. (Phys. Rev. Lett. 2007, 98, 066401) to propagate maximally localized Wannier functions together with the nuclei, a speed-up of one order of magnitude can be observed. This scheme thus allows to routinely calculate finite-temperature Raman spectra "on-the-fly" by means of ab-initio molecular dynamics simulations. To demonstrate the predictive power of this approach we investigate the effect of hydrophobic and hydrophilic solutes in water solution on the infrared and Raman spectra. © 2015 Wiley Periodicals, Inc.

Composite Spectra Paper 1: HR 6902

Indian Academy of Sciences (India)

tribpo

spectra; in many cases we have used the maximum width permitted by the optics of ... 10 mЕ, corresponding to 1 µm the plate, are the norm. ..... an inequality ..... on the spectra of HR 6902, we have thought it appropriate to weight the four ...

Application in continuing education for the health professions: chapter five of "Andragogy in Action".

Science.gov (United States)

Knowles, M S

1985-04-01

Although the threat of human obsolescence confronts all of humanity, given the accelerating pace of change in our society, it has a particularly strong impact on the professions--especially the health professions. The half-life of the knowledge, skills, attitudes, and values required by physicians, nurses, allied health professionals, and pharmacists is shrinking with increasing speed. Citizens worry about being treated by health practitioners who have not kept up to date and have reacted by passing laws mandating relicensing and continuing professional education. The health care professions and institutions have responded to the threat by mounting massive programs of continuing professional education; in fact, this is probably the fastest-growing aspect of all of education. And, since the clientele of continuing professional education consists exclusively of adults, these programs have tended increasingly to be based on principles of adult learning. This chapter opens with a description of a pilot project for physicians at the University of Southern California, in which the central theme is self-directed learning. The selection presents the need for and assumptions and goals of the project and the major program components, including needs assessment, individualized learning plans, information brokering, and the use of peer resource groups. Then follow three selections focused on the continuing education of nurses. Selection 2, by the American Nurses' Association, sets forth a policy statement and guidelines for self-directed continuing education in nursing. Its provisions could easily be adapted to other professions. The application of the andragogical model to highly technical training in cardiovascular nursing at Doctors Hospital in Little Rock is presented in selection 3, and selection 4 describes an innovative inservice education program in which primary responsibility is placed on the clinical nursing units at St. Mary's Hospital in Waterbury, Connecticut.

Climatology of tropospheric vertical velocity spectra

Science.gov (United States)

Ecklund, W. L.; Gage, K. S.; Balsley, B. B.; Carter, D. A.

1986-01-01

Vertical velocity power spectra obtained from Poker Flat, Alaska; Platteville, Colorado; Rhone Delta, France; and Ponape, East Caroline Islands using 50-MHz clear-air radars with vertical beams are given. The spectra were obtained by analyzing the quietest periods from the one-minute-resolution time series for each site. The lengths of available vertical records ranged from as long as 6 months at Poker Flat to about 1 month at Platteville. The quiet-time vertical velocity spectra are shown. Spectral period ranging from 2 minutes to 4 hours is shown on the abscissa and power spectral density is given on the ordinate. The Brunt-Vaisala (B-V) periods (determined from nearby sounding balloons) are indicated. All spectra (except the one from Platteville) exhibit a peak at periods slightly longer than the B-V period, are flat at longer periods, and fall rapidly at periods less than the B-V period. This behavior is expected for a spectrum of internal waves and is very similar to what is observed in the ocean (Eriksen, 1978). The spectral amplitudes vary by only a factor of 2 or 3 about the mean, and show that under quiet conditions vertical velocity spectra from the troposphere are very similar at widely different locations.

Path spectra derived from inversion of source and site spectra for earthquakes in Southern California

Science.gov (United States)

Klimasewski, A.; Sahakian, V. J.; Baltay, A.; Boatwright, J.; Fletcher, J. B.; Baker, L. M.

2017-12-01

A large source of epistemic uncertainty in Ground Motion Prediction Equations (GMPEs) is derived from the path term, currently represented as a simple geometric spreading and intrinsic attenuation term. Including additional physical relationships between the path properties and predicted ground motions would produce more accurate and precise, region-specific GMPEs by reclassifying some of the random, aleatory uncertainty as epistemic. This study focuses on regions of Southern California, using data from the Anza network and Southern California Seismic network to create a catalog of events magnitude 2.5 and larger from 1998 to 2016. The catalog encompasses regions of varying geology and therefore varying path and site attenuation. Within this catalog of events, we investigate several collections of event region-to-station pairs, each of which share similar origin locations and stations so that all events have similar paths. Compared with a simple regional GMPE, these paths consistently have high or low residuals. By working with events that have the same path, we can isolate source and site effects, and focus on the remaining residual as path effects. We decompose the recordings into source and site spectra for each unique event and site in our greater Southern California regional database using the inversion method of Andrews (1986). This model represents each natural log record spectra as the sum of its natural log event and site spectra, while constraining each record to a reference site or Brune source spectrum. We estimate a regional, path-specific anelastic attenuation (Q) and site attenuation (t*) from the inversion site spectra and corner frequency from the inversion event spectra. We then compute the residuals between the observed record data, and the inversion model prediction (event*site spectra). This residual is representative of path effects, likely anelastic attenuation along the path that varies from the regional median attenuation. We examine the

Analysis of extreme ultraviolet spectra from laser produced rhenium plasmas

International Nuclear Information System (INIS)

Wu, Tao; Dunne, Padraig; O’Reilly, Fergal; Sokell, Emma; Liu, Luning; O’Sullivan, Gerry; Higashiguchi, Takeshi; Suzuki, Yuhei; Arai, Goki; Dinh, Thanh-Hung; Li, Bowen

2015-01-01

Extreme ultraviolet spectra of highly-charged rhenium ions were observed in the 1–7 nm region using two Nd:YAG lasers with pulse lengths of 150 ps and 10 ns, respectively, operating at a number of laser power densities. The maximum focused peak power density was 2.6 × 10 14 W cm −2 for the former and 5.5 × 10 12 W cm −2 for the latter. The Cowan suite of atomic structure codes and unresolved transition array (UTA) approach were used to calculate and interpret the emission properties of the different spectra obtained. The results show that n = 4-n = 4 and n = 4-n = 5 UTAs lead to two intense quasi-continuous emission bands in the 4.3–6.3 nm and 1.5–4.3 nm spectral regions. As a result of the different ion stage distributions in the plasmas induced by ps and ns laser irradiation the 1.5–4.3 nm UTA peak moves to shorter wavelength in the ps laser produced plasma spectra. For the ns spectrum, the most populated ion stage during the lifetime of this plasma that could be identified from the n = 4-n = 5 transitions was Re 23+ while for the ps plasma the presence of significantly higher stages was demonstrated. For the n = 4-n = 4 4p 6 4d N -4p 5 4d N+1  + 4p 6 4d N−1 4f transitions, the 4d-4f transitions contribute mainly in the most intense 4.7–5.5 nm region while the 4p-4d subgroup gives rise to a weaker feature in the 4.3–4.7 nm region. A number of previously unidentified spectral features produced by n = 4-n = 5 transitions in the spectra of Re XVI to Re XXXIX are identified. (paper)

Multifractal spectra in shear flows

Science.gov (United States)

Keefe, L. R.; Deane, Anil E.

1989-01-01

Numerical simulations of three-dimensional homogeneous shear flow and fully developed channel flow, are used to calculate the associated multifractal spectra of the energy dissipation field. Only weak parameterization of the results with the nondimensional shear is found, and this only if the flow has reached its asymptotic development state. Multifractal spectra of these flows coincide with those from experiments only at the range alpha less than 1.

Long-term MST radar observations of vertical wave number spectra of gravity waves in the tropical troposphere over Gadanki (13.5° N, 79.2° E: comparison with model spectra

Directory of Open Access Journals (Sweden)

S. Vijaya Bhaskara Rao

2008-06-01

range of −2 to −2.8. The significance of the present study lies in using the ten years of data to estimate the monthly mean vertical wave number spectra of gravity waves, which will find their application in representing the realistic gravity wave characteristics in atmospheric models.

DELIN and DELOG codes for graphic representation of gamma ray spectra; Programas DELIN y DELOG para la representacion grafica de espectros gamma

Energy Technology Data Exchange (ETDEWEB)

Romero, L; Travesi, A

1983-07-01

Two Fortran IV Codes has been developed for graphic representation of the gamma-ray spectra obtained with Ge Li detectors and multichannel analyzers. The grafic plotting es carried out with the H.P. Graphic Plotter Mod HP-7221 A, using the graphic package software GRAPHICS-1000 from Hewlett-Packard. The codes have a great versatility and the representation of gamma spectra can ba done in a lineal, semi log, or log-log scale, as desired. The gamma ray spectra data are feed into the computer through magnetic tape or perfored paper tape. The different out-put options and complementary data are given in a conversational way through a terminal with T.V. displays. Among the options that can be selected by the user are the following: - smoothing the spectra - drawing the spectra point by point or continuous - out-put drawing an 1, 2, or 4 sheet with automatic division of the energy scale. - overlapping of selected spectra regions in Y scale ampliation with automatic print-out of the region limits and ampliation factor. - Printing spectra data and identifications of selected photo peaks. The codes can be employed with any computer using printing devices, HP-Graphics 1000 software compatible, but are easily modified for another printing software since their modular structure with Fortran IV written.

Experimental phase diagram for random laser spectra

International Nuclear Information System (INIS)

El-Dardiry, Ramy G S; Mooiweer, Ronald; Lagendijk, Ad

2012-01-01

We systematically study the presence of narrow spectral features in a wide variety of random laser samples. Less gain or stronger scattering are shown to lead to a crossover from spiky to smooth spectra. A decomposition of random laser spectra into a set of Lorentzians provides unprecedented detail in the analysis of random laser spectra. We suggest an interpretation in terms of mode competition that enables an understanding of the observed experimental trends. In this interpretation, smooth random laser spectra are a consequence of competing modes for which the loss and gain are proportional. Spectral spikes are associated with modes that are uncoupled from the mode competition in the bulk of the sample. (paper)

Contribution to the study of turbulence spectra

Science.gov (United States)

Dumas, R.

1979-01-01

An apparatus suitable for turbulence measurement between ranges of 1 to 5000 cps and from 6 to 16,000 cps was developed and is described. Turbulence spectra downstream of the grills were examined with reference to their general characteristics, their LF qualities, and the effects of periodic turbulence. Medium and HF are discussed. Turbulence spectra in the boundary layers are similarly examined, with reference to their fluctuations at right angles to the wall, and to lateral fluctuations. Turbulence spectra in a boundary layer with suction to the wall is discussed. Induced turbulence, and turbulence spectra at high Reynolds numbers. Calculations are presented relating to the effect of filtering on the value of the correlations in time and space.

Relation of exact Gaussian basis methods to the dephasing representation: Theory and application to time-resolved electronic spectra

Science.gov (United States)

Sulc, Miroslav; Hernandez, Henar; Martinez, Todd J.; Vanicek, Jiri

2014-03-01

We recently showed that the Dephasing Representation (DR) provides an efficient tool for computing ultrafast electronic spectra and that cellularization yields further acceleration [M. Šulc and J. Vaníček, Mol. Phys. 110, 945 (2012)]. Here we focus on increasing its accuracy by first implementing an exact Gaussian basis method (GBM) combining the accuracy of quantum dynamics and efficiency of classical dynamics. The DR is then derived together with ten other methods for computing time-resolved spectra with intermediate accuracy and efficiency. These include the Gaussian DR (GDR), an exact generalization of the DR, in which trajectories are replaced by communicating frozen Gaussians evolving classically with an average Hamiltonian. The methods are tested numerically on time correlation functions and time-resolved stimulated emission spectra in the harmonic potential, pyrazine S0 /S1 model, and quartic oscillator. Both the GBM and the GDR are shown to increase the accuracy of the DR. Surprisingly, in chaotic systems the GDR can outperform the presumably more accurate GBM, in which the two bases evolve separately. This research was supported by the Swiss NSF Grant No. 200021_124936/1 and NCCR Molecular Ultrafast Science & Technology (MUST), and by the EPFL.

Source brightness fluctuation correction of solar absorption fourier transform mid infrared spectra

Directory of Open Access Journals (Sweden)

T. Ridder

2011-06-01

Full Text Available The precision and accuracy of trace gas observations using solar absorption Fourier Transform infrared spectrometry depend on the stability of the light source. Fluctuations in the source brightness, however, cannot always be avoided. Current correction schemes, which calculate a corrected interferogram as the ratio of the raw DC interferogram and a smoothed DC interferogram, are applicable only to near infrared measurements. Spectra in the mid infrared spectral region below 2000 cm⁻¹ are generally considered uncorrectable, if they are measured with a MCT detector. Such measurements introduce an unknown offset to MCT interferograms, which prevents the established source brightness fluctuation correction. This problem can be overcome by a determination of the offset using the modulation efficiency of the instrument. With known modulation efficiency the offset can be calculated, and the source brightness correction can be performed on the basis of offset-corrected interferograms. We present a source brightness fluctuation correction method which performs the smoothing of the raw DC interferogram in the interferogram domain by an application of a running mean instead of high-pass filtering the corresponding spectrum after Fourier transformation of the raw DC interferogram. This smoothing can be performed with the onboard software of commercial instruments. The improvement of MCT spectra and subsequent ozone profile and total column retrievals is demonstrated. Application to InSb interferograms in the near infrared spectral region proves the equivalence with the established correction scheme.

Digital Generation of Noise-Signals with Arbitrary Constant or Time-Varying Spectra (A noise generation software package and its application)

CERN Document Server

Tückmantel, Joachim

2008-01-01

Artificial creation of arbitrary noise signals is used in accelerator physics to reproduce a measured perturbation spectrum for simulations but also to generate real-time shaped noise spectra for controlled emittance blow-up giving tailored properties to the final bunch shape. It is demonstrated here how one can produce numerically what is, for all practical purposes, an unlimited quantity of non-periodic noise data having any predefined spectral density. This spectral density may be constant or varying with time. The noise output never repeats and has excellent statistical properties, important for very long-term applications. It is difficult to obtain such flexibility and spectral cleanliness using analogue techniques. This algorithm was applied both in computer simulations of bunch behaviour in the presence of RF noise in the PS, SPS and LHC and also to generate real-time noise, tracking the synchrotron frequency change during the energy ramp of the SPS and producing controlled longitudinal emittance blow-...

Calculations of charged-particle recoils, slowing-down spectra, LET and event-size distributions for fast neutrons and comparisons with measurements

International Nuclear Information System (INIS)

Borak, T.B.; Stinchcomb, T.G.

1979-01-01

A rapid system has been developed for computing charged-particle distributions generated in tissue by any neutron spectra less than 4 MeV. Oxygen and carbon recoils were derived from R-matrix theory, and hydrogen recoils were obtained from cross-section evaluation. Application to two quite different fission-neutron spectra demonstrates the flexibility of this method for providing spectral details of the different types of charged-particle recoils. Comparisons have been made between calculations and measurements of event-size distributions for a sphere of tissue 1 μm in diameter irradiated by these two neutron spectra. LET distributions have been calculated from computed charged-particle recoils and also derived from measurements using the conventional approximation that all charged particles traverse the chamber. The limitations of the approximation for these neutron spectra are discussed. (author)

Design and construction of a vertical hydroponic system with semi-continuous and continuous nutrient cycling

Science.gov (United States)

Siswanto, Dian; Widoretno, Wahyu

2017-11-01

Problems due to the increase in agricultural land use change can be solved by hydroponic system applications. Many hydroponic studies have been conducted in several countries while their applications in Indonesia requires modification and adjustment. This research was conducted to design and construct a hydroponic system with semi-continuous and continuous nutrition systems. The hydroponic system which was used adapts the ebb and flow system, and the nutrient film technique (NFT). This hydroponic system was made from polyvinyl chloride (PVC) pipes with a length of 197 cm, a diameter of 16 cm, and a slope of 4°. It was constructed from four PVC pipes. In semi-continuous irrigation treatment, nutrients flow four to six times for each of ten minutes depending on plant development and the estimated evapotranspiration occurring, while in a continuous nutrient system the nutrients are streamed for twenty-four hours without stopping at a maximum flow rate of 13.7 L per second.

LO-TO splittings, effective charges and interactions in electro-optic meta-nitroaniline crystal as studied by polarized IR reflection and transmission spectra

Science.gov (United States)

Szostak, M. M.; Le Calvé, N.; Romain, F.; Pasquier, B.

1994-10-01

The polarized IR reflection spectra of the meta-nitroaniline ( m-NA) single crystal along the a, b and c crystallographic axes as well as the b and c polarized transmission spectra have been measured in the 100-400 cm -1 region. The LO-TO splitting values have been calculated from the reflection spectra by fitting them with the four parameter dielectric function. The dipole moment derivatives, relevant to dynamic effective charges, of the vibrations have also been calculated and used to check the applicability of the oriented gas model (OGM) to reflection spectra. The discrepancies from the OGM have been discussed in terms of vibronic couplings, weak hydrogen bondings (HB) and intramolecular charge transfer.

Parametrization relating the fermionic mass spectra

International Nuclear Information System (INIS)

Kleppe, A.

1993-01-01

When parametrizing the fermionic mass spectra in terms of the unit matrix and a recursive matrix scrR 0 , which corresponds to an underlying scaling pattern in the mass spectra, each fermionic sector is characterized by three parameters: k, α, and R. Using the set of relations displayed by the parameters of the different sectors, it is possible to formulate a ''family Lagrangian'' which for each sector encompasses all the families. Relations between quark masses are furthermore deduced from these ''family Lagrangians.'' Using the relations between the parameters of the different charge sectors, it is also possible to ''derive'' the quark mass spectra from the (charged) leptonic mass spectrum

Continuous Glucose Monitoring: Current Use in Diabetes Management and Possible Future Applications.

Science.gov (United States)

Vettoretti, Martina; Cappon, Giacomo; Acciaroli, Giada; Facchinetti, Andrea; Sparacino, Giovanni

2018-05-01

The recent announcement of the production of new low-cost continuous glucose monitoring (CGM) sensors, the approval of marketed CGM sensors for making treatment decisions, and new reimbursement criteria have the potential to revolutionize CGM use. After briefly summarizing current CGM applications, we discuss how, in our opinion, these changes are expected to extend CGM utilization beyond diabetes patients, for example, to subjects with prediabetes or even healthy individuals. We also elaborate on how the integration of CGM data with other relevant information, for example, health records and other medical device/wearable sensor data, will contribute to creating a digital data ecosystem that will improve our understanding of the etiology and complications of diabetes and will facilitate the development of data analytics for personalized diabetes management and prevention.

Program LEP to addition of gamma spectra from germanium detectors; Programa LEPS para suma de espectros gammas de detectores de germanio

Energy Technology Data Exchange (ETDEWEB)

Romero, L

1986-07-01

The LEP program, written in FORTRAN IV, performs the addition of two spectra, collected with different detectors, from the same sample. This application, adds the two gamma spectra obtained from two opposite LEPS Germanium Detectors (Low Energy Photon Spectrometer), correcting the differences (channel/energy) between both two spectra, and fitting them before adding. The total-spectrum is recorded at the computer memory as a single spectrum. The necessary equipment, to run this program is: - Two opposite germanium detectors, with their associate electronics. - Multichannel analyzer (2048 memory channel minimum) - Computer on-line interfacing to multichannel analyzer. (Author) 4 refs.

Program for the analysis of pulse height spectra and the background from a proportional detector

International Nuclear Information System (INIS)

Flores-Llamas, H.; Yee-Madeira, H.; Contreras-Puente, G.; Zamorano-Ulloa, R.

1991-01-01

A PC-Fortran program is presented for fitting of lineshapes and the analysis of pulse height spectra obtainable with proportional detectors. The common fitting and analysis of pulse height spectra by means of mixed Gaussian lineshapes is readily improved by using Voigt lineshapes. In addition, the background can be evaluated during the fitting process without the need of extra measurements. As an application of the program, a pulse height transmission spectrum accumulated with a static 57 Co source and detected with an argon-metane proportional detector, was least squares fitted to an elaborated complex trial lineshape function containing two Voigt lines plus a straight line. The fitting straight line parameters a and b characterize quantitatively the background. The very good PC-fitting obtained shows that the fitting of experimental spectra with the more realistic Voigt lineshapes is no longer a formidable task and that it is possible to evaluate and subtract the background inherent to the experiment during the fitting process. (orig.)

Artificial intelligence analysis of paraspinal power spectra.

Science.gov (United States)

Oliver, C W; Atsma, W J

1996-10-01

OBJECTIVE: As an aid to discrimination of sufferers with back pain an artificial intelligence neural network was constructed to differentiate paraspinal power spectra. DESIGN: Clinical investigation using surface electromyography. METHOD: The surface electromyogram power spectra from 60 subjects, 33 non-back-pain sufferers and 27 chronic back pain sufferers were used to construct a back propagation neural network that was then tested. Subjects were placed on a test frame in 30 degrees of lumbar forward flexion. An isometric load of two-thirds maximum voluntary contraction was held constant for 30 s whilst surface electromyograms were recorded at the level of the L(4-5). Paraspinal power spectra were calculated and loaded into the input layer of a three-layer back propagation network. The neural network classified the spectra into normal or back pain type. RESULTS: The back propagation neural was shown to have satisfactory convergence with a specificity of 79% and a sensitivity of 80%. CONCLUSIONS: Artificial intelligence neural networks appear to be a useful method of differentiating paraspinal power spectra in back-pain sufferers.

The spanwise spectra in wall-bounded turbulence

Science.gov (United States)

Wang, Hong-Ping; Wang, Shi-Zhao; He, Guo-Wei

2018-06-01

The pre-multiplied spanwise energy spectra of streamwise velocity fluctuations are investigated in this paper. Two distinct spectral peaks in the spanwise spectra are observed in low-Reynolds-number wall-bounded turbulence. The spectra are calculated from direct numerical simulation (DNS) of turbulent channel flows and zero-pressure-gradient boundary layer flows. These two peaks locate in the near-wall and outer regions and are referred to as the inner peak and the outer peak, respectively. This result implies that the streamwise velocity fluctuations can be separated into large and small scales in the spanwise direction even though the friction Reynolds number Re_τ can be as low as 1000. The properties of the inner and outer peaks in the spanwise spectra are analyzed. The locations of the inner peak are invariant over a range of Reynolds numbers. However, the locations of the outer peak are associated with the Reynolds number, which are much higher than those of the outer peak of the pre-multiplied streamwise energy spectra of the streamwise velocity.

Seismic spectra of events at regional distances

International Nuclear Information System (INIS)

Springer, D.L.; Denny, M.D.

1976-01-01

About 40 underground nuclear explosions detonated at the Nevada Test Site (NTS) were chosen for analysis of their spectra and any relationships they might have to source parameters such as yield, depth of burial, etc. The sample covered a large yield range (less than 20 kt to greater than 1 Mt). Broadband (0.05 to 20 Hz) data recorded by the four-station seismic network operated by Lawrence Livermore Laboratory were analyzed in a search for unusual explosion signatures in their spectra. Long time windows (total wave train) as well as shorter windows (for instance, P/sub n/) were used as input to calculate the spectra. Much variation in the spectra of the long windows is typical although some gross features are similar, such as a dominant peak in the microseismic window. The variation is such that selection of corner frequencies is impractical and yield scaling could not be determined. Spectra for one NTS earthquake showed more energy in the short periods (less than 1 sec) as well as in the long periods (greater than 8 sec) compared to those for NTS explosions

Sequential Analysis of Gamma Spectra

International Nuclear Information System (INIS)

Fayez-Hassan, M.; Hella, Kh.M.

2009-01-01

This work shows how easy one can deal with a huge number of gamma spectra. The method can be used for radiation monitoring. It is based on the macro feature of the windows XP connected to QBASIC software. The routine was used usefully in generating accurate results free from human errors. One hundred measured gamma spectra were fully analyzed in 10 minutes using our fast and automated method controlling the Genie 2000 gamma acquisition analysis software.

NONLINEAR PLANT PIECEWISE-CONTINUOUS MODEL MATRIX PARAMETERS ESTIMATION

Directory of Open Access Journals (Sweden)

Roman L. Leibov

2017-09-01

Full Text Available This paper presents a nonlinear plant piecewise-continuous model matrix parameters estimation technique using nonlinear model time responses and random search method. One of piecewise-continuous model application areas is defined. The results of proposed approach application for aircraft turbofan engine piecewisecontinuous model formation are presented

Application of the method of continued fractions for electron scattering by linear molecules

International Nuclear Information System (INIS)

Lee, M.-T.; Iga, I.; Fujimoto, M.M.; Lara, O.; Brasilia Univ., DF

1995-01-01

The method of continued fractions (MCF) of Horacek and Sasakawa is adapted for the first time to study low-energy electron scattering by linear molecules. Particularly, we have calculated the reactance K-matrices for an electron scattered by hydrogen molecule and hydrogen molecular ion as well as by a polar LiH molecule in the static-exchange level. For all the applications studied herein. the calculated physical quantities converge rapidly, even for a strongly polar molecule such as LiH, to the correct values and in most cases the convergence is monotonic. Our study suggests that the MCF could be an efficient method for studying electron-molecule scattering and also photoionization of molecules. (Author)

12 CFR 225.83 - What are the consequences of failing to continue to meet applicable capital and management...

Science.gov (United States)

2010-01-01

... 12 Banks and Banking 3 2010-01-01 2010-01-01 false What are the consequences of failing to continue to meet applicable capital and management requirements? 225.83 Section 225.83 Banks and Banking... AND CHANGE IN BANK CONTROL (REGULATION Y) Regulations Financial Holding Companies § 225.83 What are...

Energetic Proton Spectra Measured by the Van Allen Probes

Science.gov (United States)

Summers, Danny; Shi, Run; Engebretson, Mark J.; Oksavik, Kjellmar; Manweiler, Jerry W.; Mitchell, Donald G.

2017-10-01

We test the hypothesis that pitch angle scattering by electromagnetic ion cyclotron (EMIC) waves can limit ring current proton fluxes. For two chosen magnetic storms, during 17-20 March 2013 and 17-20 March 2015, we measure proton energy spectra in the region 3 ≤ L ≤ 6 using the RBSPICE-B instrument on the Van Allen Probes. The most intense proton spectra are observed to occur during the recovery periods of the respective storms. Using proton precipitation data from the POES (NOAA and MetOp) spacecraft, we deduce that EMIC wave action was prevalent at the times and L-shell locations of the most intense proton spectra. We calculate limiting ring current proton energy spectra from recently developed theory. Comparisons between the observed proton energy spectra and the theoretical limiting spectra show reasonable agreement. We conclude that the measurements of the most intense proton spectra are consistent with self-limiting by EMIC wave scattering.

SpectraPLOT, Visualization Package with a User-Friendly Graphical Interface

Science.gov (United States)

Sebald, James; Macfarlane, Joseph; Golovkin, Igor

2017-10-01

SPECT3D is a collisional-radiative spectral analysis package designed to compute detailed emission, absorption, or x-ray scattering spectra, filtered images, XRD signals, and other synthetic diagnostics. The spectra and images are computed for virtual detectors by post-processing the results of hydrodynamics simulations in 1D, 2D, and 3D geometries. SPECT3D can account for a variety of instrumental response effects so that direct comparisons between simulations and experimental measurements can be made. SpectraPLOT is a user-friendly graphical interface for viewing a wide variety of results from SPECT3D simulations, and applying various instrumental effects to the simulated images and spectra. We will present SpectraPLOT's ability to display a variety of data, including spectra, images, light curves, streaked spectra, space-resolved spectra, and drilldown plasma property plots, for an argon-doped capsule implosion experiment example. Future SpectraPLOT features and enhancements will also be discussed.

Qualitative and quantitative validation of the SINBAD code on complex HPGe gamma-ray spectra

Energy Technology Data Exchange (ETDEWEB)

Rohee, E.; Coulon, R.; Normand, S.; Carrel, F. [CEA, LIST, Laboratoire Capteurs et Architectures electroniques, F-91191 Gif-sur-Yvette, (France); Dautremer, T.; Barat, E.; Montagu, T. [CEA, LIST, Laboratoire Modelisation, Simulation et Systemes, F-91191 Gif-sur-Yvette, (France); Jammes, C. [CEA/DEN/SPEx/LDCI, Centre de Cadarache, F-13109 Saint-Paul-lez-Durance, (France)

2015-07-01

Radionuclides identification and quantification is a serious concern for many applications as safety or security of nuclear power plant or fuel cycle facility, CBRN risk identification, environmental radioprotection and waste measurements. High resolution gamma-ray spectrometry based on HPGe detectors is a performing solution for all these topics. During last decades, a great number of software has been developed to improve gamma spectra analysis. However, some difficulties remain in the analysis when photoelectric peaks are folded together with a high ratio between theirs amplitudes, when the Compton background is much larger compared to the signal of a single peak and when spectra are composed of a great number of peaks. This study deals with the comparison between conventional methods in radionuclides identification and quantification and the code called SINBAD ('Spectrometrie par Inference Non parametrique Bayesienne Deconvolutive'). For many years, SINBAD has been developed by CEA LIST for unfolding complex spectra from HPGe detectors. Contrary to conventional methods using fitting procedures, SINBAD uses a probabilistic approach with Bayesian inference to describe spectrum data. This conventional fitting method founded for example in Genie 2000 is compared with the nonparametric SINBAD approach regarding some key figures of merit as the peak centroid evaluation (identification) and peak surface evaluation (quantification). Unfriendly cases are studied for nuclides detection with closed gamma-rays energies and high photoelectric peak intensity differences. Tests are performed with spectra from the International Atomic Energy Agency (IAEA) for gamma spectra analysis software benchmark and with spectra acquired at the laboratory. Results show that SINBAD and Genie 2000 performances are quite similar with sometimes best results for SINBAD with the important difference that to achieve same performances the nonparametric method is user-friendly compared

Wavelet data analysis of micro-Raman spectra for follow-up monitoring in oral pathologies

Science.gov (United States)

Camerlingo, C.; Zenone, F.; Perna, G.; Capozzi, V.; Cirillo, N.; Gaeta, G. M.; Lepore, M.

2008-02-01

A wavelet multi-component decomposition algorithm has been used for data analysis of micro-Raman spectra from human biological samples. In particular, measurements have been performed on some samples of oral tissue and blood serum from patients affected by pemphigus vulgaris at different stages. Pemphigus is a chronic, autoimmune, blistering disease of the skin and mucous membranes with a potentially fatal outcome. The disease is characterized histologically by intradermal blisters and immunopathologically by the finding of tissue bound and circulating immunoglobulin G (IgG) antibody directed against the cell surface of keratinocytes. More than 150 spectra were measured by means of a Raman confocal microspectrometer apparatus using the 632.8 nm line of a He-Ne laser source. A discrete wavelet transform decomposition method has been applied to the recorded Raman spectra in order to overcome related to low-level signals and the presence of noise and background components due to light scattering and fluorescence. The results indicate that appropriate data processing can contribute to enlarge the medical applications of micro-Raman spectroscopy.

Monte Carlo simulation of x-ray spectra in mammography

Energy Technology Data Exchange (ETDEWEB)

Ng, K.P. [Department of Optometry and Radiography, The Hong Kong Polytechnic University, Hung Hom, Kowloon, Hong Kong (China). E-mail: benngkp at netvigator.com; Kwok, C.S.; Ng, K.P.; Tang, F.H. [Department of Optometry and Radiography, The Hong Kong Polytechnic University, Hung Hom, Kowloon, Hong Kong (China)

2000-05-01

A model for generating x-ray spectra in mammography is presented. This model used the ITS version 3 Monte Carlo code for simulating the radiation transport. Various target/filter combinations such as tungsten/aluminium, molybdenum/molybdenum, molybdenum/rhodium and rhodium/rhodium were used in the simulation. Both bremsstrahlung and characteristic x-ray production were included in the model. The simulated x-ray emission spectra were compared with two sets of spectra, those of Boone et al (1997 Med. Phys. 24 1863-74) and IPEM report 78. The {chi}{sup 2} test was used for the overall goodness of fit of the spectral data. There is good agreement between the simulated x-ray spectra and the comparison spectra as the test yielded a probability value of nearly 1. When the transmitted x-ray spectra for specific target/filter combinations were generated and compared with a measured molybdenum/rhodium spectrum and spectra generated in IPEM report 78, close agreement is also observed. This was demonstrated by the probability value for the {chi}{sup 2} test being almost 1 for all the cases. However, minor differences between the simulated spectra and the 'standard' ones are observed. (author)

Monte Carlo simulation of x-ray spectra in mammography

International Nuclear Information System (INIS)

Ng, K.P.

2000-01-01

A model for generating x-ray spectra in mammography is presented. This model used the ITS version 3 Monte Carlo code for simulating the radiation transport. Various target/filter combinations such as tungsten/aluminium, molybdenum/molybdenum, molybdenum/rhodium and rhodium/rhodium were used in the simulation. Both bremsstrahlung and characteristic x-ray production were included in the model. The simulated x-ray emission spectra were compared with two sets of spectra, those of Boone et al (1997 Med. Phys. 24 1863-74) and IPEM report 78. The χ 2 test was used for the overall goodness of fit of the spectral data. There is good agreement between the simulated x-ray spectra and the comparison spectra as the test yielded a probability value of nearly 1. When the transmitted x-ray spectra for specific target/filter combinations were generated and compared with a measured molybdenum/rhodium spectrum and spectra generated in IPEM report 78, close agreement is also observed. This was demonstrated by the probability value for the χ 2 test being almost 1 for all the cases. However, minor differences between the simulated spectra and the 'standard' ones are observed. (author)

Extracting Optical Fiber Background from Surface-Enhanced Raman Spectroscopy Spectra Based on Bi-Objective Optimization Modeling.

Science.gov (United States)

Huang, Jie; Shi, Tielin; Tang, Zirong; Zhu, Wei; Liao, Guanglan; Li, Xiaoping; Gong, Bo; Zhou, Tengyuan

2017-08-01

We propose a bi-objective optimization model for extracting optical fiber background from the measured surface-enhanced Raman spectroscopy (SERS) spectrum of the target sample in the application of fiber optic SERS. The model is built using curve fitting to resolve the SERS spectrum into several individual bands, and simultaneously matching some resolved bands with the measured background spectrum. The Pearson correlation coefficient is selected as the similarity index and its maximum value is pursued during the spectral matching process. An algorithm is proposed, programmed, and demonstrated successfully in extracting optical fiber background or fluorescence background from the measured SERS spectra of rhodamine 6G (R6G) and crystal violet (CV). The proposed model not only can be applied to remove optical fiber background or fluorescence background for SERS spectra, but also can be transferred to conventional Raman spectra recorded using fiber optic instrumentation.

Near IR spectra of symbiotic stars

International Nuclear Information System (INIS)

Andrillat, Y.

1982-01-01

The author reports on recent observations from the near IR spectra of symbiotic stars. The helium and oxygen lines useful for the construction of theoretical models are identified. Observations for cool stars and novae (nebular phase) are outlined and the spectra of specific symbiotic stars between lambdalambda 8000-11000 are presented and discussed. (Auth./C.F.)

High-resolution spectroscopy in superfluid helium droplets. Investigation of vibrational fine structures in electronic spectra of phthalocyanine and porphyrin derivatives

Energy Technology Data Exchange (ETDEWEB)

Riechers, Ricarda Eva Friederike Elisabeth

2011-03-22

Since a considerably large variety of substituted compounds is commercially available and the electronic excitation spectra fit well into the spectral range covered by the continuous wave dye laser used for this study several porphyrin and phthalocyanine derivatives substituted with different types and numbers of alkyl and aryl groups were chosen as molecular probes. Recording fluorescence excitation and dispersed emission spectra revealed exclusively sharp transitions for all species. A change of the molecule's electrostatic moments, primarily and most effectively, a change of the molecular dipole moment regarding both magnitude and orientation, was identified as the main contribution for line broadening effects. Apart from the sharp lines presented in their fluorescence excitation spectra, the phthalocyanine derivatives investigated for this study, namely chloro-aluminium-phthalocyanine (AlClPc) and tetra-tertbutyl-phthalocyanine (TTBPc), exhibited more than one emission spectrum.

High-resolution spectroscopy in superfluid helium droplets. Investigation of vibrational fine structures in electronic spectra of phthalocyanine and porphyrin derivatives

International Nuclear Information System (INIS)

Riechers, Ricarda Eva Friederike Elisabeth

2011-01-01

Since a considerably large variety of substituted compounds is commercially available and the electronic excitation spectra fit well into the spectral range covered by the continuous wave dye laser used for this study several porphyrin and phthalocyanine derivatives substituted with different types and numbers of alkyl and aryl groups were chosen as molecular probes. Recording fluorescence excitation and dispersed emission spectra revealed exclusively sharp transitions for all species. A change of the molecule's electrostatic moments, primarily and most effectively, a change of the molecular dipole moment regarding both magnitude and orientation, was identified as the main contribution for line broadening effects. Apart from the sharp lines presented in their fluorescence excitation spectra, the phthalocyanine derivatives investigated for this study, namely chloro-aluminium-phthalocyanine (AlClPc) and tetra-tertbutyl-phthalocyanine (TTBPc), exhibited more than one emission spectrum.

Non-LTE Stellar Population Synthesis of Globular Clusters Using Synthetic Integrated Light Spectra. I. Constructing the IL Spectra

Science.gov (United States)

Young, Mitchell. E.; Short, C. Ian

2017-02-01

We present an investigation of the globular cluster population synthesis method of McWilliam & Bernstein, focusing on the impact of non-LTE (NLTE) modeling effects and color-magnitude diagram (CMD) discretization. Johnson-Cousins-Bessel U - B, B-V, V-I, and J-K colors are produced for 96 synthetic integrated light (IL) spectra with two different discretization prescriptions and three degrees of NLTE treatment. These color values are used to compare NLTE- and LTE-derived population ages. Relative contributions of different spectral types to the IL spectra for different wavebands are measured. IL NLTE spectra are shown to be more luminous in the UV and optical than LTE spectra, but show stronger absorption features in the IR. The main features showing discrepancies between NLTE and LTE IL spectra may be attributed to light metals, primarily Fe I, Ca I, and Ti I, as well as TiO molecular bands. Main-sequence stars are shown to have negligible NLTE effects at IR wavelengths compared to more evolved stars. Photometric color values are shown to vary at the millimagnitude level as a function of CMD discretization. Finer CMD sampling for the upper main sequence and turnoff, base of the red giant branch, and the horizontal branch minimizes this variation. Differences in ages derived from LTE and NLTE IL spectra are found to range from 0.55 to 2.54 Gyr, comparable to the uncertainty in GC ages derived from color indices with observational uncertainties of 0.01 mag, the limiting precision of the Harris catalog.

High-Quality Medium-Resolution Gamma-Ray Spectra from Certified Reference Uranium and Plutonium Materials

International Nuclear Information System (INIS)

Zsigrai, J.; Muehleisen, A.; ); Weber, A.-L.; Funk, P.; Berlizov, A.; Mintcheva, J.

2015-01-01

The Institute of Transuranium Elements (ITU) has made an effort to record a collection of medium resolution gamma-ray spectra from well-characterized U and Pu certified reference materials CRM-171 (also known as SRM-969), CBNM-271, and Harwell PIDIE standards. The goal of this exercise was twofold: (i) to complement the international database of reference gamma-ray spectra with high-quality data for medium resolution spectrometers, and (ii) to feed Phase I of the U/Pu isotopic inter-comparison exercise that is being jointly organized by the ESARDA NDA Working Group and IAEA. Phase II of the exercise will be fed by similar spectra recorded by Institute for Radiological Protection and Nuclear Safety (IRSN). These activities are supported through a joint Member State Support Programmes (MSSP) task and aimed at delivering reliable methodologies for the determination of U/Pu isotopic composition using medium resolution gamma-spectrometers. The latter have obvious benefits for in-field applications, amongst which are better usability, portability and maintainability. As the spectra will be made available online for software developers and end users, ultimately this will also contribute to sustainability as well as the improved and validated performance of existing U/Pu isotopic codes. The spectra were recorded using the IAEA's standard Lanthanum Bromide (LaBr3(Ce)) (2.0'' x 0.5'') and Cadmium Zink Telluride (CdZnTe) (500 mm''3) detectors and acquisition electronics. Aiming to acquire the highest quality reference data, the spectra were measured for long acquisition times, ensuring very good counting statistics across potentially useful spectral intervals — up to 1 MeV for the CdZnTe and up to 2.6 MeV for the LaBr3(Ce) detectors. Great attention was also paid to ensure that the measurement geometry was stable and reproducible, and the spectra had minimum influence from background radiation and pile-up effects. The paper will briefly

Path integral Liouville dynamics: Applications to infrared spectra of OH, water, ammonia, and methane

International Nuclear Information System (INIS)

Liu, Jian; Zhang, Zhijun

2016-01-01

Path integral Liouville dynamics (PILD) is applied to vibrational dynamics of several simple but representative realistic molecular systems (OH, water, ammonia, and methane). The dipole-derivative autocorrelation function is employed to obtain the infrared spectrum as a function of temperature and isotopic substitution. Comparison to the exact vibrational frequency shows that PILD produces a reasonably accurate peak position with a relatively small full width at half maximum. PILD offers a potentially useful trajectory-based quantum dynamics approach to compute vibrational spectra of molecular systems

Computer Processing Of Tunable-Diode-Laser Spectra

Science.gov (United States)

May, Randy D.

1991-01-01

Tunable-diode-laser spectrometer measuring transmission spectrum of gas operates under control of computer, which also processes measurement data. Measurements in three channels processed into spectra. Computer controls current supplied to tunable diode laser, stepping it through small increments of wavelength while processing spectral measurements at each step. Program includes library of routines for general manipulation and plotting of spectra, least-squares fitting of direct-transmission and harmonic-absorption spectra, and deconvolution for determination of laser linewidth and for removal of instrumental broadening of spectral lines.

Biological Action Spectra (invited paper)

Energy Technology Data Exchange (ETDEWEB)

Gruijl, F.R. de

2000-07-01

Ultraviolet (UV) radiation induces a wide variety of biological responses: ranging in humans from well-known short-term effects like sunburn to long-term effects like skin cancer. The wavelength dependencies ('action spectra') of the responses can differ significantly, depending on the UV-targeted molecules (their absorption spectra), their localisation (transmission to the target depth) and the photochemical reactions involved (e.g. quantum yields, competing reaction). An action spectrum (e.g. of sunburn) is usually determined in a wavelength by wavelength analysis of the response. This is not always possible (e.g. in case of skin cancer), and an action spectrum may then be extracted mathematically from differences in responses to broadband UV sources of various spectral compositions (yielding 'biological spectral weights'). However, relative spectral weights may shift with exposure levels and contributions from different wavelengths may not always add up. Under these circumstances conventional analyses will yield different action spectra for different experimental conditions. (author)

Biological Action Spectra (invited paper)

International Nuclear Information System (INIS)

Gruijl, F.R. de

2000-01-01

Ultraviolet (UV) radiation induces a wide variety of biological responses: ranging in humans from well-known short-term effects like sunburn to long-term effects like skin cancer. The wavelength dependencies ('action spectra') of the responses can differ significantly, depending on the UV-targeted molecules (their absorption spectra), their localisation (transmission to the target depth) and the photochemical reactions involved (e.g. quantum yields, competing reaction). An action spectrum (e.g. of sunburn) is usually determined in a wavelength by wavelength analysis of the response. This is not always possible (e.g. in case of skin cancer), and an action spectrum may then be extracted mathematically from differences in responses to broadband UV sources of various spectral compositions (yielding 'biological spectral weights'). However, relative spectral weights may shift with exposure levels and contributions from different wavelengths may not always add up. Under these circumstances conventional analyses will yield different action spectra for different experimental conditions. (author)

Double photoionisation spectra of molecules

CERN Document Server

Eland, John

2017-01-01

This book contains spectra of the doubly charged positive ions (dications) of some 75 molecules, including the major constituents of terrestrial and planetary atmospheres and prototypes of major chemical groups. It is intended to be a new resource for research in all areas of molecular spectroscopy involving high energy environments, both terrestrial and extra-terrestrial. All the spectra have been produced by photoionisation using laboratory lamps or synchrotron radiation and have been measured using the magnetic bottle time-of-flight technique by coincidence detection of correlated electron pairs. Full references to published work on the same species are given, though for several molecules these are the first published spectra. Double ionisation energies are listed and discussed in relation to the molecular electronic structure of the molecules. A full introduction to the field of molecular double ionisation is included and the mechanisms by which double photoionisation can occur are examined in detail. A p...

Marketing Continuing Education: A Study of Price Strategies. Occasional Papers in Continuing Education, No. 11.

Science.gov (United States)

Lamoureux, Marvin E.

The objective of the study conducted at the Centre for Continuing Education (CCE) at the University of British Columbia was to determine that threshold pricing not only existed for continuing education courses, but also was applicable to an administrative decision-making structure. The first part of the three-part investigation analyzed consumer…

Quantum synchrotron spectra from semirelativistic electrons in teragauss magnetic fields

International Nuclear Information System (INIS)

Brainerd, J.J.

1987-01-01

Synchrotron spectra are calculated from quantum electrodynamic transition rates for thermal and power-law electron distributions. It is shown that quantum effects appear in thermal spectra when the photon energy is greater than the electron temperature, and in power-law spectra when the electron energy in units of the electron rest mass times the magnetic field strength in units of the critical field strength is of order unity. These spectra are compared with spectra calculated from the ultrarelativistic approximation for synchrotron emission. It is found that the approximation for the power-law spectra is good, and the approximation for thermal spectra produces the shape of the spectrum accurately but fails to give the correct normalization. Single photon pair creation masks the quantum effects for power-law distributions, so only modifications to thermal spectra are important for gamma-ray bursts. 13 references

Soft x-ray absorption spectra of ilmenite family.

Science.gov (United States)

Agui, A; Mizumaki, M; Saitoh, Y; Matsushita, T; Nakatani, T; Fukaya, A; Torikai, E

2001-03-01

We have carried out soft x-ray absorption spectroscopy to study the electronic structure of ilmenite family, such as MnTiO3, FeTiO3, and CoTiO3 at the soft x-ray beamline, BL23SU, at the SPring-8. The Ti and M L2,3 absorption spectra of MTiO3 (M=Mn, Fe, and Co) show spectra of Ti4+ and M2+ electron configurations, respectively. Except the Fe L2,3 spectrum, those spectra were understood within the O(h) symmetry around the transition metal ions. The Fe L3-edge spectrum clearly shows a doublet peak at the L3 edge, which is attributed to Fe2+ state, moreover the very high-resolution the L-edge spectra of transition metals show fine structures. The spectra of those ilmenites are compared.

Control method for multi-input multi-output non-Gaussian random vibration test with cross spectra consideration

Directory of Open Access Journals (Sweden)

Ronghui ZHENG

2017-12-01

Full Text Available A control method for Multi-Input Multi-Output (MIMO non-Gaussian random vibration test with cross spectra consideration is proposed in the paper. The aim of the proposed control method is to replicate the specified references composed of auto spectral densities, cross spectral densities and kurtoses on the test article in the laboratory. It is found that the cross spectral densities will bring intractable coupling problems and induce difficulty for the control of the multi-output kurtoses. Hence, a sequential phase modification method is put forward to solve the coupling problems in multi-input multi-output non-Gaussian random vibration test. To achieve the specified responses, an improved zero memory nonlinear transformation is utilized first to modify the Fourier phases of the signals with sequential phase modification method to obtain one frame reference response signals which satisfy the reference spectra and reference kurtoses. Then, an inverse system method is used in frequency domain to obtain the continuous stationary drive signals. At the same time, the matrix power control algorithm is utilized to control the spectra and kurtoses of the response signals further. At the end of the paper, a simulation example with a cantilever beam and a vibration shaker test are implemented and the results support the proposed method very well. Keywords: Cross spectra, Kurtosis control, Multi-input multi-output, Non-Gaussian, Random vibration test

Stochastic generation of continuous wave spectra

DEFF Research Database (Denmark)

Trulsen, J.; Dysthe, K. B.; Pécseli, Hans

1983-01-01

Wave packets of electromagnetic or Langmuir waves trapped in a well between oscillating reflectors are considered. An equation for the temporal evolution of the probability distribution for the carrier wave number is derived, and solved analytically in terms of moments in the limits of long...

Cis- and trans-perfluorodecalin: Infrared spectra, radiative efficiency and global warming potential

Science.gov (United States)

Le Bris, Karine; DeZeeuw, Jasmine; Godin, Paul J.; Strong, Kimberly

2017-12-01

Perfluorodecalin (PFD) is a molecule used in various medical applications for its capacity to dissolve gases. This potent greenhouse gas was detected for the first time in the atmosphere in 2005. We present infrared absorption cross-section spectra of a pure vapour of cis- and trans-perfluorodecalin at a resolution of 0.1 cm-1. Measurements were performed in the 560-3000 cm-1 spectral range using Fourier transform spectroscopy. The spectra have been compared with previous experimental data and theoretical calculations by density functional theory. The new experimental absorption cross-sections have been used to calculate a lifetime-corrected radiative efficiency at 300 K of 0.62 W m-2 ppb-1 and 0.57 W.m-2.ppb-1 for the cis and trans isomers respectively. This leads to a 100-year time horizon global warming potential of 8030 for cis-PFD and 7440 for trans-PFD.

Automaton for spectra measurement of charged particles detected in nuclear photoemulsions

International Nuclear Information System (INIS)

Bauehr, R.; Krzhemenek, Ya.; Piskorzh, Sh.; Svoboda, Z.; Shkaba, V.

1978-01-01

The electronic equipment is described for measuring the spectra of charged particles detected in nuclear photoemulsions. With regard to function, the electronic equipment may be classified as follows: unit for analog processing of signals, logic for track recognition and device for controlling and recording measurement results. The analog processing unit incorporates eight identical channels, each of which consists of a flexible light pipe, a photomultiplier, an amplifier, an amplitude analyzer, and a marker. Eight memory shift registers forming a data field are used for determining the presence of a track in an emulsion area being analyzed. The following track recognition criteria are used: (a) trace image in a logical form forms a continuous path in the register field; (b) the length of the continuous image should constitute at least five channels; and (c) tracks longer than five channels are recorded only once. The scanning plates of 700 mm long takes three hours. Accuracy of determination of the longitudinal coordinate is 25 μm

Plasma extraction rate and collection efficiency during therapeutic plasma exchange with Spectra Optia in comparison with Haemonetics MCS+.

Science.gov (United States)

Lambert, Catherine; Gericke, Marion; Smith, Richard; Hermans, Cedric

2011-01-01

For therapeutic plasma exchange (TPE), continuous and intermittent flow separators are known to be efficient. This study was undertaken to compare the performances of the Spectra Optia, a continuous flow centrifugal apheresis system recently developed by CaridianBCT, with the Haemonetics Multicomponents System (MCS)+ apheresis system based on intermittent flow centrifugation. The primary objective of the study was to compare the time required to exchange one total plasma volume with both separators. The secondary objectives were to determine the plasma exchange efficiency, the plasma extraction rate, the percentage of target exchange volume achieved, and the loss of cellular components. The study involved prospectively paired comparison of 16 TPE on each device performed in patients with chronic diseases treated with TPE. The time required to exchange 1 total plasma volume was 182 ± 36 minutes for MCS+ procedures and 100 ± 20 minutes for the Spectra Optia procedures (P higher plasma extraction rate was achieved (30.2 ± 4.3 vs 16.8 ± 3.4 mL/min, respectively, P exchange efficiency was slightly better with the Spectra Optia compared with the MCS+ procedures (83.4 ± 7.0 vs 80.0 ± 8.5%, P higher extraction rate and exchange efficiency than the MCS+ allowing to remove the same amount of plasma in less time, by processing less blood. It also removes significantly less platelets than the MCS+ separator. Copyright © 2010 Wiley-Liss, Inc.

Towards a full reference library of MS(n) spectra. II: A perspective from the library of pesticide spectra extracted from the literature/Internet.

Science.gov (United States)

Milman, Boris L; Zhurkovich, Inna K

2011-12-30

To gain perspective on building full transferable libraries of MS(n) spectra from their diverse/numerous collections, a new library was built from 1723 MS(>1) spectra (mainly MS² spectra) of 490 pesticides and related compounds. Spectra acquired on different types of tandem instruments in various experimental conditions were extracted from 168 literature articles and Internet sites. Testing of the library was based on searches where 'unknown' and reference spectra originated from different sources (mainly from different laboratories) were cross-compared. The NIST 05 MS² library was added to the reference spectra. The library searches were performed with all the test spectra or were divided into different subsamples containing (a) various numbers of replicate spectra of test compounds or (b) spectra acquired from different instrument types. Thus, the dependence of true/false search (identification) result rates on different factors was explored. The percentage of 1st rank correct identifications (true positives) for the only 'unknown' mass spectrum and two and more reference spectra and matching precursor ion m/z values was 89%. For qualified matches, above the cut-off match factor, that rate decreased to 80%. The corresponding rates based on the best match for two and more 'unknown' and reference spectral replicates were 89-94%. For quadrupole instruments, the rates were even higher: 91-95% (one 'unknown' spectrum) and 90-100% (two and more such spectra). This study shows that MS² spectral libraries generated from the numerous literature/Internet sources are not less efficient for the goal of identification of unknown compounds including pesticides than very common EI-MS¹ libraries and are almost as efficient as the most productive from current MS² spectral databases. Such libraries may be used as individual reference databases or supplements to large experimental spectral collections covering many groups of abundant compounds and different types of tandem

Investigation of gamma spectra analysis

International Nuclear Information System (INIS)

Wu Huailong; Liu Suping; Hao Fanhua; Gong Jian; Liu Xiaoya

2006-01-01

In the investigation of radiation fingerprint comparison, it is found out that some of the popular gamma spectra analysis software have shortcomings, which decrease the radiation fingerprint comparison precision. So a new analysis software is developed for solving the problems. In order to display the advantage of developed program, some typical simulative warhead gamma spectra are analyzed respectively by present software and GAMMAVISION and GENNIE2000. Present software can be applied not only in nuclear warheads deep-cuts verification, but also in any radiation measurement field. (authors)

Scaling properties of the transverse mass spectra

International Nuclear Information System (INIS)

Schaffner-Bielich, J.

2002-01-01

Motivated from the formation of an initial state of gluon-saturated matter, we discuss scaling relations for the transverse mass spectra at BNL's relativistic heavy-ion collider (RHIC). We show on linear plots, that the transverse mass spectra for various hadrons can be described by an universal function in m t . The transverse mass spectra for different centralities can be rescaled into each other. Finally, we demonstrate that m t -scaling is also present in proton-antiproton collider data and compare it to m t -scaling at RHIC. (orig.)

Stabilization of spectra provided by a gamma-ray spectrometer. Application to the construction of a stabilizer

International Nuclear Information System (INIS)

Detourne, G.

1967-06-01

This research is concerned with the stabilization of spectra provided by a gamma-ray spectrometer. It is required to hold the calibration straight line of the spectrometer in a position which is fixed initially to better than 5x10 -5 channel. A prototype numerical stabilizer has been constructed : the SPECTROSTAB; it is made up of two independent control loops; one of these makes the spectrometer gain depend on the derivatives of a reference peak at high energies; the other makes the origin of the energy scale depend on the derivatives of a second reference peak at low energies A theoretical study of the behaviour of a control loop shows that a direct action stabilizer gives the most accurate stabilization; the loss in resolving power on the theoretical peaks of the spectra attains about 1 % with a scintillation detector, and 10 % with a semi-conductor detector. Various tests show that the expected results are obtained and that the displacement of the spectral peaks produced by the derivatives are hidden by errors in the calculation of the peak abscissae. (author) [fr

Principal spectra describing magnetooptic permittivity tensor in cubic crystals

Energy Technology Data Exchange (ETDEWEB)

Hamrlová, Jana [Nanotechnology Centre, VSB – Technical University of Ostrava, listopadu 15, Ostrava, 708 33 Czech Republic (Czech Republic); IT4Innovations Centre, VSB – Technical University of Ostrava, listopadu 15, Ostrava, 708 33 Czech Republic (Czech Republic); Legut, Dominik [IT4Innovations Centre, VSB – Technical University of Ostrava, listopadu 15, Ostrava, 708 33 Czech Republic (Czech Republic); Veis, Martin [Faculty of Mathematics and Physics, Charles University, Ke Karlovu 3, Prague, 121 16 Czech Republic (Czech Republic); Pištora, Jaromír [Nanotechnology Centre, VSB – Technical University of Ostrava, listopadu 15, Ostrava, 708 33 Czech Republic (Czech Republic); Hamrle, Jaroslav, E-mail: jaroslav.hamrle@vsb.cz [IT4Innovations Centre, VSB – Technical University of Ostrava, listopadu 15, Ostrava, 708 33 Czech Republic (Czech Republic); Faculty of Mathematics and Physics, Charles University, Ke Karlovu 3, Prague, 121 16 Czech Republic (Czech Republic); Department of Physics, VSB – Technical University of Ostrava, 17. listopadu 15, Ostrava, 708 33 Czech Republic (Czech Republic)

2016-12-15

We provide unified phenomenological description of magnetooptic effects being linear and quadratic in magnetization. The description is based on few principal spectra, describing elements of permittivity tensor up to the second order in magnetization. Each permittivity tensor element for any magnetization direction and any sample surface orientation is simply determined by weighted summation of the principal spectra, where weights are given by crystallographic and magnetization orientations. The number of principal spectra depends on the symmetry of the crystal. In cubic crystals owning point symmetry we need only four principal spectra. Here, the principal spectra are expressed by ab initio calculations for bcc Fe, fcc Co and fcc Ni in optical range as well as in hard and soft x-ray energy range, i.e. at the 2p- and 3p-edges. We also express principal spectra analytically using modified Kubo formula.

Continuity theory

CERN Document Server

Nel, Louis

2016-01-01

This book presents a detailed, self-contained theory of continuous mappings. It is mainly addressed to students who have already studied these mappings in the setting of metric spaces, as well as multidimensional differential calculus. The needed background facts about sets, metric spaces and linear algebra are developed in detail, so as to provide a seamless transition between students' previous studies and new material. In view of its many novel features, this book will be of interest also to mature readers who have studied continuous mappings from the subject's classical texts and wish to become acquainted with a new approach. The theory of continuous mappings serves as infrastructure for more specialized mathematical theories like differential equations, integral equations, operator theory, dynamical systems, global analysis, topological groups, topological rings and many more. In light of the centrality of the topic, a book of this kind fits a variety of applications, especially those that contribute to ...

Applications of neural network prediction of conformational states for small peptides from spectra and of fold classes

DEFF Research Database (Denmark)

Bohr, Henrik; Røgen, Peter; Jalkanen, Karl J.

2001-01-01

but already at this stage they could be compared with reasonable agreements to experiments. The neural networks are shown to be good in distinguishing the different conformers of the small alanine peptides. especially when in the gas phase. Also the task of predicting protein fold-classes, defined from line...... to construct vibrational spectra for each of the conformational states with low energy. From the spectra, neural networks could be trained to distinguish between the various states and thus be able to generate a larger set of relevant structures and their relation to secondary structures of the peptides....... The calculations were done both with solvent atoms (up to ten water molecules) and without, and hence the neural networks could be used to monitor the influence of the solvent on hydrogen bond formation. The calculations at this stage only involved very short peptide fragments of a few alanine amino acids...

Application of a Bonner sphere spectrometer for determination of the energy spectra of neutrons generated by ≈1 MJ plasma focus

Czech Academy of Sciences Publication Activity Database

Králík, M.; Krása, Josef; Velyhan, Andriy; Scholz, M.; Ivanova-Stanik, I.M.; Bienkowska, B.; Miklaszewski, R.; Schmidt, H.; Řezáč, K.; Klír, D.; Kravárik, J.; Kubeš, P.

2010-01-01

Roč. 81, č. 11 (2010), 113503/1-113503/5 ISSN 0034-6748 R&D Projects: GA MŠk LA08024 Grant - others:FP-6 EU(XE) RITA-CT2006-26095 Institutional research plan: CEZ:AV0Z10100523 Keywords : plasma focus * fusion DD neutrons * Bonner sphere spectrometer * energy spectra of scattered neutrons * unfolded and calculated spectra Subject RIV: BL - Plasma and Gas Discharge Physics Impact factor: 1.598, year: 2010

Continuous modelling study of numerical volumes - Applications to the visualization of anatomical structures

International Nuclear Information System (INIS)

Goret, C.

1990-12-01

Several technics of imaging (IRM, image scanners, tomoscintigraphy, echography) give numerical informations presented by means of a stack of parallel cross-sectional images. Since many years, 3-D mathematical tools have been developed and allow the 3 D images synthesis of surfaces. In first part, we give the technics of numerical volume exploitation and their medical applications to diagnosis and therapy. The second part is about a continuous modelling of the volume with a tensor product of cubic splines. We study the characteristics of this representation and its clinical validation. Finally, we treat of the problem of surface visualization of objects contained in the volume. The results show the interest of this model and allow to propose specifications for 3-D workstation realization [fr

Analysis of COSIMA spectra: Bayesian approach

Directory of Open Access Journals (Sweden)

H. J. Lehto

2015-06-01

secondary ion mass spectrometer (TOF-SIMS spectra. The method is applied to the COmetary Secondary Ion Mass Analyzer (COSIMA TOF-SIMS mass spectra where the analysis can be broken into subgroups of lines close to integer mass values. The effects of the instrumental dead time are discussed in a new way. The method finds the joint probability density functions of measured line parameters (number of lines, and their widths, peak amplitudes, integrated amplitudes and positions. In the case of two or more lines, these distributions can take complex forms. The derived line parameters can be used to further calibrate the mass scaling of TOF-SIMS and to feed the results into other analysis methods such as multivariate analyses of spectra. We intend to use the method, first as a comprehensive tool to perform quantitative analysis of spectra, and second as a fast tool for studying interesting targets for obtaining additional TOF-SIMS measurements of the sample, a property unique to COSIMA. Finally, we point out that the Bayesian method can be thought of as a means to solve inverse problems but with forward calculations, only with no iterative corrections or other manipulation of the observed data.

Generate tri-directional spectra-compatible time histories using HHT method

Energy Technology Data Exchange (ETDEWEB)

Li, Bo; Xie, Wei-Chau, E-mail: xie@uwaterloo.ca; Pandey, Mahesh D.

2016-11-15

Highlights: • Hilbert–Huang Transform are applied to modify real earthquake records. • Generate tri-directional time histories compatible with target spectra. • Both GRS and FRS are considered as target spectra. • Target spectra with multiple damping ratios are considered. - Abstract: This paper proposes two algorithms to generate spectrum-compatible time histories based on two approaches recommended by USNRC Standard Review Plan 3.7.1. Hilbert–Huang Transform technique is used to analyze frequency contents and amplitudes of seed motions. Through adjusting the frequency contents and amplitudes of seed motions, spectrum-compatible time histories are obtained. The first algorithm is to generate tri-directional time histories compatible with multi-damping target design spectra (ground response spectra or floor response spectra). The second algorithm is to generate tri-directional time histories compatible with single-damping target design spectra. Examples are presented to demonstrate versatility of these two proposed algorithms to generate spectra-compatible time histories.

Generate tri-directional spectra-compatible time histories using HHT method

International Nuclear Information System (INIS)

Li, Bo; Xie, Wei-Chau; Pandey, Mahesh D.

2016-01-01

Highlights: • Hilbert–Huang Transform are applied to modify real earthquake records. • Generate tri-directional time histories compatible with target spectra. • Both GRS and FRS are considered as target spectra. • Target spectra with multiple damping ratios are considered. - Abstract: This paper proposes two algorithms to generate spectrum-compatible time histories based on two approaches recommended by USNRC Standard Review Plan 3.7.1. Hilbert–Huang Transform technique is used to analyze frequency contents and amplitudes of seed motions. Through adjusting the frequency contents and amplitudes of seed motions, spectrum-compatible time histories are obtained. The first algorithm is to generate tri-directional time histories compatible with multi-damping target design spectra (ground response spectra or floor response spectra). The second algorithm is to generate tri-directional time histories compatible with single-damping target design spectra. Examples are presented to demonstrate versatility of these two proposed algorithms to generate spectra-compatible time histories.

Systematic evaluation of prompt neutron spectra in fission

International Nuclear Information System (INIS)

Osawa, Takaaki

1995-01-01

To create the nuclear data fail JEND-32, the prompt fission neutron spectra X(E) of 233 U, 235 U, 238 U and 239 Pu were reevaluated and some improvement were added to the calculation models. We tried to extend the calculation method of fission spectra of nuclides with poor measurement data in consideration of increasing the importance of nuclear data of minor actinoids. We improved and extended the following five points. (1) On JENDL-3.1, the fission spectra of principal fissible materials had been calculated by the Modland-Nix model which the neutron emissions of fragments were calculated under the approximation of the constant inverse process cross section. In the paper, the spectra were calculated by the use of the inverse process cross section depend on the energy obtained by the calculation of the optical model. The result showed the increase of low energy components and the softening effect of spectra (2) On JENDL-3.1, the all fission processes were assumed to undergo (n,f) reaction. In the paper, they were calculated by the multi-chance fission such as (n, n'f), (n, 2nf) and (n, 3nf) etc. Softening of the spectra (En > 6 MeV) was obtained by this method. (3) The level density parameter (LDP) has been assumed as a = A/C in either case of light fragment (LF) and heavy fragment (HF) in the original Madland-Nix model. But we used LDP based on the Ignatyuk model under consideration of the shell effects of nuclear fragments, hence the neutron spectra of heavy fragments were hardening. (4) Nuclear temperature of both fragments had been assumed to be the same at original model, but now R T = Tm/TmH was derived to calculate them. The ratio of middle/both side components of spectra was changed. (5) Unknown neutron fission spectra of minor actinide were able to the assumed on the basis of Moriyama-Ohnishi model. (S.Y.)

VACTIV-DELPHI graphical dialog based program for the analysis of gamma-ray spectra

International Nuclear Information System (INIS)

Zlokazov, V.B.

2002-01-01

The program VACTIV - Visual ACTIV - has been developed for the analysis of gamma-ray spectra and is a standard graphical dialog based Windows XX application, driven by a menu, mouse and keyboard. On the one hand, it is a conversion of an existing Fortran program ACTIV to the DELPHI-5 language; on the other hand, it is a transformation of the sequential syntax of Fortran programming to a new object-oriented style, based on the organization of event interaction. Since VACTIV is seemingly the first attempt of applying the newest programming languages and styles to systems of spectrum analysis, the goal of its creation was both getting a convenient and efficient technique for data processing, their methods and events. Now the program is widely used for the processing of gamma-ray spectra in experiments on activation analysis

Investigation of gamma spectra analysis

International Nuclear Information System (INIS)

Wu Huailong; Liu Suping; Hao Fanhua

2006-12-01

During the investigation of radiation fingerprint comparison, it is found out that the popular gamma spectra analysis softwares are faultful, which decrease the precision of radiation fingerprint comparison. So a new analysis software is development for solving the problems. In order to display the advantage of new program, some typical simulative gamma spectra of radiation source are analyzed respectively by our software and GAMMAVISION and GENNIE2000. The software can be applied not only in nuclear warheads deep-cuts verification, but also in any radiation measurement field. (authors)

Generation of synthetic gamma spectra with MATLAB

International Nuclear Information System (INIS)

Palmerio, Julian J.; Coppo, Anibal D.

2009-01-01

Objectives: The aim of this work is the simulation of gamma spectra using the MATLAB program to generate the calibration curves in efficiency, which will be used to measure radioactive waste in drums. They are necessary for the proper characterization of these drums. A Monte Carlo simulation was basically developed with the random number generator Mersenne Twister and nuclear data obtained from NIST. This paper shows the results obtained and difficulties encountered until today. The physical correction of the simulated spectra has been the only aspect we have been working, up to this moment. Procedures: A simplified representation of the 'Laboratorio de Verificacion y Control de la Calidad' was chosen. Drums with cemented liquid waste are routinely measured in this laboratory. The commercial program MCNP was also used to get a valid reference in the field of simulation of spectra. We analyzed the spectra obtained by MATLAB in the light of classical literature photon detection and the spectrum obtained by MCNP. Conclusions: Currently the program developed seems adequate to simulate a measurement in the 'Laboratorio de Verificacion y Control de la Calidad'. The spectra obtained by MATLAB seem to physically represent what is observed in real spectra. However, it is a slow program. The current development efforts are directed to improve the speed of simulation. An alternative is to use the CUDA language for NVIDIA video cards to parallelized the simulation. An adequate simulation of the electronic measuring chain is also needed to obtain better representations of the shapes of the peaks. (author)

Continuity of Local Time: An applied perspective

OpenAIRE

Ramirez, Jorge M.; Waymire, Edward C.; Thomann, Enrique A.

2015-01-01

Continuity of local time for Brownian motion ranks among the most notable mathematical results in the theory of stochastic processes. This article addresses its implications from the point of view of applications. In particular an extension of previous results on an explicit role of continuity of (natural) local time is obtained for applications to recent classes of problems in physics, biology and finance involving discontinuities in a dispersion coefficient. The main theorem and its corolla...

Incorporating Nuisance Parameters in Likelihoods for Multisource Spectra

CERN Document Server

Conway, J.S.

2011-01-01

We describe here the general mathematical approach to constructing likelihoods for fitting observed spectra in one or more dimensions with multiple sources, including the effects of systematic uncertainties represented as nuisance parameters, when the likelihood is to be maximized with respect to these parameters. We consider three types of nuisance parameters: simple multiplicative factors, source spectra "morphing" parameters, and parameters representing statistical uncertainties in the predicted source spectra.

A continuous-time random-walk approach to the Cole-Davidson dielectric response of dipolar liquids

DEFF Research Database (Denmark)

Szabat, B.; Langner, K. M.; Klösgen-Buchkremer, Beate Maria

2004-01-01

We show how the Cole-Davidson relaxation response, characteristic of alcoholic systems, can be derived within the framework of the continuous-time random walk (CTRW). Using the random-variable formalism, we indicate that the high-frequency power law of dielectric spectra is determined by the heavy...

A continuous-time random-walk approach to the Cole-Davidson dielectric response of dipolar liquids

DEFF Research Database (Denmark)

Szabat, Bozena; Langner, Karol M.; Klösgen, Beate Maria

2005-01-01

We show how the Cole-Davidson relaxation response, characteristic of alcoholic systems, can be derived within the framework of the continuous-time random walk 4CTRW). Using the random-variable formalism, we indicate that the high-frequency power law of dielectric spectra is determined by the heav...

Mapping SOC in a river catchment by integrating laboratory spectra wavelength with remote sensing spectra

DEFF Research Database (Denmark)

Peng, Yi; Xiong, Xiong; Knadel, Maria

There is potential to use soil ·-proximal and remote sensing derived spectra concomitantly to develop soil organic carbon (SOC) models. Yet mixing spectral data from different sources and technologies to improve soil models is still in its infancy. The objective of this study was to incorporate...... soil spectral features indicative of SOC from laboratory visible near-infrared reflectance (vis-NlR) spectra and incorporate them with remote sensing (RS) images to improve predictions of top SOC in the Skjem river catchment, Denmark. The secondary objective was to improve prediction results...

Naturally enhanced ion-acoustic spectra and their interpretation

DEFF Research Database (Denmark)

Sedgemore-Schulthess, K.J.F.; St. Maurice, J.P.

2001-01-01

acceleration, wave-particle and wave-wave interactions in the ionosphere, and their association with magnetospheric processes. There is now a substantial body of literature documenting observations of enhanced ion-acoustic spectra, but there remains controversy over generation mechanisms. We present a review...... years there has been much interest in naturally occurring (as opposed to artificially stimulated) enhanced ion-acoustic spectra seen in the auroral zone and cusp/cleft region. A study of the plasma instability processes that lead to such spectra will help us to better understand auroral particle...... of literature documenting observations of naturally enhanced ion-acoustic spectra, observed mainly along the geomagnetic field direction, along with a discussion of the theories put forward to explain such phenomena....

Application of neural networks and its prospect. 1. General comment on application to nuclear fusion and plasma researches

International Nuclear Information System (INIS)

Takeda, Tatsuoki

2006-01-01

The back ground of application of neutral networks to R and D of scientific field and increasing of application fields are stated. A definition of neural networks, the kinds of neural networks and functions, error back propagation, and generalization are explained. An application of multi-layer neural networks to nuclear fusion and plasma researches are described by inverse problem, interpolation, time series prediction, and computerized tomography. Some examples of researches such as MHD of plasma from magnetic probe data of fusion reactor systems, parameter prediction of distribution of the impurity spectra and the charge exchange neutral particle energy spectra, disruption prediction, and residual minimization training neural network are commented. (S.Y.)

A system for the obtention and analysis of diffuse reflection spectra from biological tissue

International Nuclear Information System (INIS)

La Cadena, A. de; La Rosa, J. de; Stolik, S.

2012-01-01

The diffuse reflection spectroscopy is a technique with is possible to study biological tissue. In the field of the biomedical applications is useful for diagnostic purposes, since is possible to analyze biological tissue in a non invasive way. also, can be used with therapeutical purposes, for example in photodynamic therapy or laser surgery because with this technique it can be determined the biological effects produced by these treatments. In this paper is shown the development of a system to obtain and analyze diffuse reflection spectra of biological tissues, using a LED as a light source, that emits light between 400-700nm. The system has an interface for the regulation of the emittance of the LED. For diffuse reflectance spectra analysis, we use an HR4000CG-UV-NIR spectrometer. (Author)

Algebraic descriptions of nuclear and molecular rotation-vibration spectra

International Nuclear Information System (INIS)

Roosmalen, O.S. van.

1982-01-01

The application of algebraic models to the description of rotational and vibrational degrees of freedom of nuclei and molecules are discussed. Simple model Hamiltonians are shown to give good agreement with the energy spectra of diatomic molecules and nuclei. Some formal aspects of path integral methods for many-boson systems are treated. The two representations for the quantum mechanical propagator are compared and appear to be identical in leading order in 1/N (N is the number of bosons). Approximations for both are static and dynamic problems are discussed. Applications of mean field techniques are also treated. A description of tri- and tetra-atomic molecules in terms of a U(4)xU(4) and U(4)xU(4)xU(4) group structure is given. Linear molecules appear to correspond with symmetries of O(4) type. S-matrix elements are calculated to test mean field methods, and the results compared with exact calculations. (Auth.)

Independent component analysis-based algorithm for automatic identification of Raman spectra applied to artistic pigments and pigment mixtures.

Science.gov (United States)

González-Vidal, Juan José; Pérez-Pueyo, Rosanna; Soneira, María José; Ruiz-Moreno, Sergio

2015-03-01

A new method has been developed to automatically identify Raman spectra, whether they correspond to single- or multicomponent spectra. The method requires no user input or judgment. There are thus no parameters to be tweaked. Furthermore, it provides a reliability factor on the resulting identification, with the aim of becoming a useful support tool for the analyst in the decision-making process. The method relies on the multivariate techniques of principal component analysis (PCA) and independent component analysis (ICA), and on some metrics. It has been developed for the application of automated spectral analysis, where the analyzed spectrum is provided by a spectrometer that has no previous knowledge of the analyzed sample, meaning that the number of components in the sample is unknown. We describe the details of this method and demonstrate its efficiency by identifying both simulated spectra and real spectra. The method has been applied to artistic pigment identification. The reliable and consistent results that were obtained make the methodology a helpful tool suitable for the identification of pigments in artwork or in paint in general.

Energy spectra of vibron and cluster models in molecular and nuclear systems

Science.gov (United States)

Jalili Majarshin, A.; Sabri, H.; Jafarizadeh, M. A.

2018-03-01

The relation of the algebraic cluster model, i.e., of the vibron model and its extension, to the collective structure, is discussed. In the first section of the paper, we study the energy spectra of vibron model, for diatomic molecule then we derive the rotation-vibration spectrum of 2α, 3α and 4α configuration in the low-lying spectrum of 8Be, 12C and 16O nuclei. All vibrational and rotational states with ground and excited A, E and F states appear to have been observed, moreover the transitional descriptions of the vibron model and α-cluster model were considered by using an infinite-dimensional algebraic method based on the affine \\widehat{SU(1,1)} Lie algebra. The calculated energy spectra are compared with experimental data. Applications to the rotation-vibration spectrum for the diatomic molecule and many-body nuclear clusters indicate that there are solvable models and they can be approximated very well using the transitional theory.

Automated element identification for EDS spectra evaluation using quantification and integrated spectra simulation approaches

International Nuclear Information System (INIS)

Eggert, F

2010-01-01

This work describes first real automated solution for qualitative evaluation of EDS spectra in X-ray microanalysis. It uses a combination of integrated standardless quantitative evaluation, computation of analytical errors to a final uncertainty, and parts of recently developed simulation approaches. Multiple spectra reconstruction assessments and peak searches of the residual spectrum are powerful enough to solve the qualitative analytical question automatically for totally unknown specimens. The integrated quantitative assessment is useful to improve the confidence of the qualitative analysis. Therefore, the qualitative element analysis becomes a part of integrated quantitative spectrum evaluation, where the quantitative results are used to iteratively refine element decisions, spectrum deconvolution, and simulation steps.

Cross-correlation analysis of Ge/Li/ spectra

International Nuclear Information System (INIS)

MacDonald, R.; Robertson, A.; Kennett, T.J.; Prestwich, W.V.

1974-01-01

A sensitive technique is proposed for activation analysis using cross-correlation and improved spectral orthogonality achieved through use of a rectangular zero area digital filter. To test the accuracy and reliability of the cross-correlation procedure five spectra obtained with a Ge/Li detector were combined in different proportions. Gaussian distributed statistics were then added to the composite spectra by means of a pseudo-random number generator. The basis spectra used were 76 As, 82 Br, 72 Ga, 77 Ge, and room background. In general, when the basis spectra were combined in roughly comparable proportions the accuracy of the techique proved to be excelent (>1%). However, of primary importance was the ability of the correlation technique to identify low intensity components in the presence of high intensity components. It was found that the detection threshold for Ge, for example, was not reached until the Ge content in the unfiltered spectrum was <0.16%. (T.G.)

Auger spectra of alkanes

International Nuclear Information System (INIS)

Rye, R.R.; Jennison, D.R.; Houston, J.E.

1980-01-01

The gas-phase Auger line shapes of the linear alkanes C 1 through C 6 and of neopentane are presented and analyzed. The general shape of the spectra are characteristic of carbon in a tetrahedral environment with the major feature in all cases occurring at approx.249 eV. The relatively large spectral changes found between methane and ethane results from the direct interaction of the terminal methyl groups in ethane, and the spectra of the higher alkanes are shown to be a composite of contributions from terminal methyl and interior methylene group carbon atoms. Theoretical analysis based on a one-electron approximation is shown to be capable of making a molecular orbital assignment by comparing calculated vertical transitions to features in the Auger spectra of ethane and propane, and, in the case of ethane, of differentiating between the 2 E/sub g/ and 2 A/sub 1g/ assignment of the ground state of (C 2 H 6 ) + . A one-electron based molecular orbital treatment, however, is shown to partially break down in propane and neopentane. Analysis of neopentane and the observed absence of any noticeable major peak energy shift with increasing molecular size (as predicted by the one-electron treatment) suggests that some Auger final states occur in which both valence holes are localized on the same subunit of the molecule

40 CFR Table 14 to Subpart Xxxx of... - Continuous Compliance With the Emission Limitations for Puncture Sealant Application Affected...

Science.gov (United States)

2010-07-01

... 40 Protection of Environment 12 2010-07-01 2010-07-01 true Continuous Compliance With the Emission Limitations for Puncture Sealant Application Affected Sources 14 Table 14 to Subpart XXXX of Part 63... Hazardous Air Pollutants: Rubber Tire Manufacturing Pt. 63, Subpt. XXXX, Table 14 Table 14 to Subpart XXXX...

Study of X-Ray and $\\gamma$-Ray Spectra from Antiprotonic Atoms at the Slowly Extracted Antiproton Beam of LEAR

CERN Multimedia

2002-01-01

This experiment will study the X-ray spectra of antiprotonic atoms and the $\\gamma$ spectra of residual nuclei after the antiproton absorption. We intend to begin with measurements on selected isotopically pure targets. Strong interaction effects, the antiproton absorption and the atomic cascade are analysed through the measurement of energies, lineshapes, relative and absolute intensities of all observable lines. The experiments are continued to determine st in resolved fine structure levels and in different isotopes of the same element. Coincidence techniques may be applied. All components of the experimental set-up are already existing from previous experiments and we could begin the measurements with any slowly extracted beam of low energy at LEAR.

ACCELERATED FITTING OF STELLAR SPECTRA

Energy Technology Data Exchange (ETDEWEB)

Ting, Yuan-Sen; Conroy, Charlie [Harvard–Smithsonian Center for Astrophysics, 60 Garden Street, Cambridge, MA 02138 (United States); Rix, Hans-Walter [Max Planck Institute for Astronomy, Königstuhl 17, D-69117 Heidelberg (Germany)

2016-07-20

Stellar spectra are often modeled and fitted by interpolating within a rectilinear grid of synthetic spectra to derive the stars’ labels: stellar parameters and elemental abundances. However, the number of synthetic spectra needed for a rectilinear grid grows exponentially with the label space dimensions, precluding the simultaneous and self-consistent fitting of more than a few elemental abundances. Shortcuts such as fitting subsets of labels separately can introduce unknown systematics and do not produce correct error covariances in the derived labels. In this paper we present a new approach—Convex Hull Adaptive Tessellation (chat)—which includes several new ideas for inexpensively generating a sufficient stellar synthetic library, using linear algebra and the concept of an adaptive, data-driven grid. A convex hull approximates the region where the data lie in the label space. A variety of tests with mock data sets demonstrate that chat can reduce the number of required synthetic model calculations by three orders of magnitude in an eight-dimensional label space. The reduction will be even larger for higher dimensional label spaces. In chat the computational effort increases only linearly with the number of labels that are fit simultaneously. Around each of these grid points in the label space an approximate synthetic spectrum can be generated through linear expansion using a set of “gradient spectra” that represent flux derivatives at every wavelength point with respect to all labels. These techniques provide new opportunities to fit the full stellar spectra from large surveys with 15–30 labels simultaneously.

Increasing the applicability of density functional theory. V. X-ray absorption spectra with ionization potential corrected exchange and correlation potentials

Energy Technology Data Exchange (ETDEWEB)

Verma, Prakash; Bartlett, Rodney J., E-mail: bartlett@qtp.ufl.edu [Quantum Theory Project, University of Florida, Gainesville, Florida 32611 (United States)

2016-07-21

Core excitation energies are computed with time-dependent density functional theory (TD-DFT) using the ionization energy corrected exchange and correlation potential QTP(0,0). QTP(0,0) provides C, N, and O K-edge spectra to about an electron volt. A mean absolute error (MAE) of 0.77 and a maximum error of 2.6 eV is observed for QTP(0,0) for many small molecules. TD-DFT based on QTP (0,0) is then used to describe the core-excitation spectra of the 22 amino acids. TD-DFT with conventional functionals greatly underestimates core excitation energies, largely due to the significant error in the Kohn-Sham occupied eigenvalues. To the contrary, the ionization energy corrected potential, QTP(0,0), provides excellent approximations (MAE of 0.53 eV) for core ionization energies as eigenvalues of the Kohn-Sham equations. As a consequence, core excitation energies are accurately described with QTP(0,0), as are the core ionization energies important in X-ray photoionization spectra or electron spectroscopy for chemical analysis.

Increasing the applicability of density functional theory. V. X-ray absorption spectra with ionization potential corrected exchange and correlation potentials.

Science.gov (United States)

Verma, Prakash; Bartlett, Rodney J

2016-07-21

Core excitation energies are computed with time-dependent density functional theory (TD-DFT) using the ionization energy corrected exchange and correlation potential QTP(0,0). QTP(0,0) provides C, N, and O K-edge spectra to about an electron volt. A mean absolute error (MAE) of 0.77 and a maximum error of 2.6 eV is observed for QTP(0,0) for many small molecules. TD-DFT based on QTP (0,0) is then used to describe the core-excitation spectra of the 22 amino acids. TD-DFT with conventional functionals greatly underestimates core excitation energies, largely due to the significant error in the Kohn-Sham occupied eigenvalues. To the contrary, the ionization energy corrected potential, QTP(0,0), provides excellent approximations (MAE of 0.53 eV) for core ionization energies as eigenvalues of the Kohn-Sham equations. As a consequence, core excitation energies are accurately described with QTP(0,0), as are the core ionization energies important in X-ray photoionization spectra or electron spectroscopy for chemical analysis.

Ultraviolet spectra of planetary nebulae

International Nuclear Information System (INIS)

Adams, S.; Seaton, M.J.

1982-01-01

Features observed in infrared spectra suggest that certain very low excitation (VLE) nebulae have low C/O abundance ratios (Cohen and Barlow 1980; Aitken and Roche 1982). Fluxes in the multiplets [O II] lambda 2470 and C II] lambda 2326 have been measured for the VLE nebula He He 2-131 = HD 138403 using IUE high-dispersion spectra. An analysis similar to that of Harrington et al. (1980) for IC 418 gives C/O = 0.3 for He 2-131, compared with C/O = 1.3 for IC 418 and 0.6 for the Sun. (author)

Raman spectra studies of dipeptides

International Nuclear Information System (INIS)

Blanchard, Simone.

1977-10-01

This work deals with the homogenous and heterogeneous dipeptides derived from alanine and glycine, in the solid state or in aqueous solutions, in the zwitterions or chlorhydrates form. The Raman spectra comparative study of these various forms of hydrogenated or deuterated compounds allows to specify some of the attributions which are necessary in the conformational study of the like tripeptides. These compounds contain only one peptidic group; therefore there is no possibility of intramolecular hydrogen bond which caracterise vibrations of non bonded peptidic groups and end groups. Infrared spectra of solid dipeptides will be presented and discussed in the near future [fr

Comparison of fish-community size spectra based on length ...

African Journals Online (AJOL)

Estimates of fish-community size spectra are promising indicators of the impact of fishing on fish assemblages. Size spectra consist of logarithmic graphs of abundance plotted against fish body size. Size spectra may either be constructed from length frequency data or estimated from the mean sizes and abundances of the ...

Microdosimetric spectra measurements of JANUS neutrons

Energy Technology Data Exchange (ETDEWEB)

Marshall, I.R.; Williamson, F.S.

1985-01-01

Neutron radiation from the JANUS reactor at Argonne National Laboratory is being used with increasing frequency for major biological experiments. The fast neutron spectrum has a Kerma-weighted mean energy of 0.8 MeV and low gamma-ray contamination. In 1984 the JANUS fission converter plate of highly enriched uranium was replaced by one made of low-enriched uranium. We recorded microdosimetric spectra at several different positions in the high-flux irradiation room of JANUS before the change of the converter plate. Each set of measurements consisted of spectra taken at three different site diameters (0.5, 1.0, and 5.0 ..mu..m) and in both ''attenuator up'' and ''attenuator down'' configurations. At two conventional dosimetry reference positions, two sets of measurements were recorded. At three biological reference positions, measurements simulating several biological irradiation conditions, were taken. The dose rate at each position was estimated and compared with dose rates obtained previously by conventional dosimetry. Comparison of the different measurements showed no major change in spectra as a function of position or irradiation condition. First results from similar sets of measurements recorded after the installment of the new converter plate indicate no major change in the spectra. 11 refs., 4 figs., 5 tabs.

Microdosimetric spectra measurements of JANUS neutrons

International Nuclear Information System (INIS)

Marshall, I.R.; Williamson, F.S.

1985-01-01

Neutron radiation from the JANUS reactor at Argonne National Laboratory is being used with increasing frequency for major biological experiments. The fast neutron spectrum has a Kerma-weighted mean energy of 0.8 MeV and low gamma-ray contamination. In 1984 the JANUS fission converter plate of highly enriched uranium was replaced by one made of low-enriched uranium. We recorded microdosimetric spectra at several different positions in the high-flux irradiation room of JANUS before the change of the converter plate. Each set of measurements consisted of spectra taken at three different site diameters (0.5, 1.0, and 5.0 μm) and in both ''attenuator up'' and ''attenuator down'' configurations. At two conventional dosimetry reference positions, two sets of measurements were recorded. At three biological reference positions, measurements simulating several biological irradiation conditions, were taken. The dose rate at each position was estimated and compared with dose rates obtained previously by conventional dosimetry. Comparison of the different measurements showed no major change in spectra as a function of position or irradiation condition. First results from similar sets of measurements recorded after the installment of the new converter plate indicate no major change in the spectra. 11 refs., 4 figs., 5 tabs

Fourier transform infrared spectra applications to chemical systems

CERN Document Server

Ferraro, John R

1985-01-01

The final and largest volume to complete this four-volume treatise is published in response to the intense commercial and research interest in Fourier Transform Interferometry.Presenting current information from leading experts in the field, Volume 4 introduces new information on, for example, applications of Diffuse Reflectance Spectroscopy in the Far-Infrared Region. The editors place emphasis on surface studies and address advances in Capillary Gas Chromatography - Fourier Transform Interferometry.Volume 4 especially benefits spectroscopists and physicists, as well as researchers