Multidimensional simulations of core-collapse supernovae with CHIMERA

NASA Astrophysics Data System (ADS)

Lentz, Eric J.; Bruenn, S. W.; Yakunin, K.; Endeve, E.; Blondin, J. M.; Harris, J. A.; Hix, W. R.; Marronetti, P.; Messer, O. B.; Mezzacappa, A.

2014-01-01

Core-collapse supernovae are driven by a multidimensional neutrino radiation hydrodynamic (RHD) engine, and full simulation requires at least axisymmetric (2D) and ultimately symmetry-free 3D RHD simulation. We present recent and ongoing work with our multidimensional RHD supernova code CHIMERA to understand the nature of the core-collapse explosion mechanism and its consequences. Recently completed simulations of 12-25 solar mass progenitors(Woosley & Heger 2007) in well resolved (0.7 degrees in latitude) 2D simulations exhibit robust explosions meeting the observationally expected explosion energy. We examine the role of hydrodynamic instabilities (standing accretion shock instability, neutrino driven convection, etc.) on the explosion dynamics and the development of the explosion energy. Ongoing 3D and 2D simulations examine the role that simulation resolution and the removal of the imposed axisymmetry have in the triggering and development of an explosion from stellar core collapse. Companion posters will explore the gravitational wave signals (Yakunin et al.) and nucleosynthesis (Harris et al.) of our simulations.

Multi-dimensional construction of a novel active yolk@conductive shell nanofiber web as a self-standing anode for high-performance lithium-ion batteries

NASA Astrophysics Data System (ADS)

Liu, Hao; Chen, Luyi; Liang, Yeru; Fu, Ruowen; Wu, Dingcai

2015-11-01

A novel active yolk@conductive shell nanofiber web with a unique synergistic advantage of various hierarchical nanodimensional objects including the 0D monodisperse SiO2 yolks, the 1D continuous carbon shell and the 3D interconnected non-woven fabric web has been developed by an innovative multi-dimensional construction method, and thus demonstrates excellent electrochemical properties as a self-standing LIB anode.A novel active yolk@conductive shell nanofiber web with a unique synergistic advantage of various hierarchical nanodimensional objects including the 0D monodisperse SiO2 yolks, the 1D continuous carbon shell and the 3D interconnected non-woven fabric web has been developed by an innovative multi-dimensional construction method, and thus demonstrates excellent electrochemical properties as a self-standing LIB anode. Electronic supplementary information (ESI) available: Experimental details and additional information about material characterization. See DOI: 10.1039/c5nr06531c

Compact hydrogen/helium isotope mass spectrometer

DOEpatents

Funsten, Herbert O.; McComas, David J.; Scime, Earl E.

1996-01-01

The compact hydrogen and helium isotope mass spectrometer of the present invention combines low mass-resolution ion mass spectrometry and beam-foil interaction technology to unambiguously detect and quantify deuterium (D), tritium (T), hydrogen molecule (H.sub.2, HD, D.sub.2, HT, DT, and T.sub.2), .sup.3 He, and .sup.4 He concentrations and concentration variations. The spectrometer provides real-time, high sensitivity, and high accuracy measurements. Currently, no fieldable D or molecular speciation detectors exist. Furthermore, the present spectrometer has a significant advantage over traditional T detectors: no confusion of the measurements by other beta-emitters, and complete separation of atomic and molecular species of equivalent atomic mass (e.g., HD and .sup.3 He).

Multidimensional carbon allotropes as electrochemical detectors in capillary and microchip electrophoresis.

PubMed

Martín, Aída; López, Miguel Ángel; González, María Cristina; Escarpa, Alberto

2015-01-01

The main multidimensional carbon allotropes could be classified into carbon nanotubes as 1D material, graphene as 2D material, as well as graphite and diamond as 3D carbon materials. Along with this review, a discussion using these four structures as electrochemical detectors in CE and ME will permit us to explore the recent advances in this field. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Real-time broadband terahertz spectroscopic imaging by using a high-sensitivity terahertz camera

NASA Astrophysics Data System (ADS)

Kanda, Natsuki; Konishi, Kuniaki; Nemoto, Natsuki; Midorikawa, Katsumi; Kuwata-Gonokami, Makoto

2017-02-01

Terahertz (THz) imaging has a strong potential for applications because many molecules have fingerprint spectra in this frequency region. Spectroscopic imaging in the THz region is a promising technique to fully exploit this characteristic. However, the performance of conventional techniques is restricted by the requirement of multidimensional scanning, which implies an image data acquisition time of several minutes. In this study, we propose and demonstrate a novel broadband THz spectroscopic imaging method that enables real-time image acquisition using a high-sensitivity THz camera. By exploiting the two-dimensionality of the detector, a broadband multi-channel spectrometer near 1 THz was constructed with a reflection type diffraction grating and a high-power THz source. To demonstrate the advantages of the developed technique, we performed molecule-specific imaging and high-speed acquisition of two-dimensional (2D) images. Two different sugar molecules (lactose and D-fructose) were identified with fingerprint spectra, and their distributions in one-dimensional space were obtained at a fast video rate (15 frames per second). Combined with the one-dimensional (1D) mechanical scanning of the sample, two-dimensional molecule-specific images can be obtained only in a few seconds. Our method can be applied in various important fields such as security and biomedicine.

Calibration of Ge gamma-ray spectrometers for complex sample geometries and matrices

NASA Astrophysics Data System (ADS)

Semkow, T. M.; Bradt, C. J.; Beach, S. E.; Haines, D. K.; Khan, A. J.; Bari, A.; Torres, M. A.; Marrantino, J. C.; Syed, U.-F.; Kitto, M. E.; Hoffman, T. J.; Curtis, P.

2015-11-01

A comprehensive study of the efficiency calibration and calibration verification of Ge gamma-ray spectrometers was performed using semi-empirical, computational Monte-Carlo (MC), and transfer methods. The aim of this study was to evaluate the accuracy of the quantification of gamma-emitting radionuclides in complex matrices normally encountered in environmental and food samples. A wide range of gamma energies from 59.5 to 1836.0 keV and geometries from a 10-mL jar to 1.4-L Marinelli beaker were studied on four Ge spectrometers with the relative efficiencies between 102% and 140%. Density and coincidence summing corrections were applied. Innovative techniques were developed for the preparation of artificial complex matrices from materials such as acidified water, polystyrene, ethanol, sugar, and sand, resulting in the densities ranging from 0.3655 to 2.164 g cm-3. They were spiked with gamma activity traceable to international standards and used for calibration verifications. A quantitative method of tuning MC calculations to experiment was developed based on a multidimensional chi-square paraboloid.

Approximation Methods in Multidimensional Filter Design and Related Problems Encountered in Multidimensional System Design.

DTIC Science & Technology

1983-03-21

zero , it is necessary that B M(0) be nonzero. In the case considered here, B M(0) is taken to be nonsingula and withot loss of generality it may be set...452. (c.51 D. Levin, " General order Padd type rational approximants defined from a double power series," J. Inst. Maths. Applics., 18, 1976, pp. 1-8...common zeros in the closed unit bidisc, U- 2 . The 2-D setting provides a nice theoretical framework for generalization of these stabilization results to

Method of multi-dimensional moment analysis for the characterization of signal peaks

DOEpatents

Pfeifer, Kent B; Yelton, William G; Kerr, Dayle R; Bouchier, Francis A

2012-10-23

A method of multi-dimensional moment analysis for the characterization of signal peaks can be used to optimize the operation of an analytical system. With a two-dimensional Peclet analysis, the quality and signal fidelity of peaks in a two-dimensional experimental space can be analyzed and scored. This method is particularly useful in determining optimum operational parameters for an analytical system which requires the automated analysis of large numbers of analyte data peaks. For example, the method can be used to optimize analytical systems including an ion mobility spectrometer that uses a temperature stepped desorption technique for the detection of explosive mixtures.

SUB 1-Millimeter Size Fresnel Micro Spectrometer

NASA Technical Reports Server (NTRS)

Park, Yeonjoon; Koch, Laura; Song, Kyo D.; Park, Sangloon; King, Glen; Choi, Sang

2010-01-01

An ultra-small micro spectrometer with less than 1mm diameter was constructed using Fresnel diffraction. The fabricated spectrometer has a diameter of 750 nmicrometers and a focal length of 2.4 mm at 533nm wavelength. The micro spectrometer was built with a simple negative zone plate that has an opaque center with an ecliptic shadow to remove the zero-order direct beam to the aperture slit. Unlike conventional approaches, the detailed optical calculation indicates that the ideal spectral resolution and resolving power do not depend on the miniaturized size but only on the total number of rings. We calculated 2D and 3D photon distribution around the aperture slit and confirmed that improved micro-spectrometers below 1mm size can be built with Fresnel diffraction. The comparison between mathematical simulation and measured data demonstrates the theoretical resolution, measured performance, misalignment effect, and improvement for the sub-1mm Fresnel micro-spectrometer. We suggest the utilization of an array of micro spectrometers for tunable multi-spectral imaging in the ultra violet range.

Data Visualization for ESM and ELINT: Visualizing 3D and Hyper Dimensional Data

DTIC Science & Technology

2011-06-01

technique to present multiple 2D views was devised by D. Asimov . He assembled multiple two dimensional scatter plot views of the hyper dimensional...Viewing Multidimensional Data”, D. Asimov , DIAM Journal on Scientific and Statistical Computing, vol.61, pp.128-143, 1985. [2] “High-Dimensional

Multi-dimensional Fokker-Planck equation analysis using the modified finite element method

NASA Astrophysics Data System (ADS)

Náprstek, J.; Král, R.

2016-09-01

The Fokker-Planck equation (FPE) is a frequently used tool for the solution of cross probability density function (PDF) of a dynamic system response excited by a vector of random processes. FEM represents a very effective solution possibility, particularly when transition processes are investigated or a more detailed solution is needed. Actual papers deal with single degree of freedom (SDOF) systems only. So the respective FPE includes two independent space variables only. Stepping over this limit into MDOF systems a number of specific problems related to a true multi-dimensionality must be overcome. Unlike earlier studies, multi-dimensional simplex elements in any arbitrary dimension should be deployed and rectangular (multi-brick) elements abandoned. Simple closed formulae of integration in multi-dimension domain have been derived. Another specific problem represents the generation of multi-dimensional finite element mesh. Assembling of system global matrices should be subjected to newly composed algorithms due to multi-dimensionality. The system matrices are quite full and no advantages following from their sparse character can be profited from, as is commonly used in conventional FEM applications in 2D/3D problems. After verification of partial algorithms, an illustrative example dealing with a 2DOF non-linear aeroelastic system in combination with random and deterministic excitations is discussed.

Advanced Data Visualization in Astrophysics: The X3D Pathway

NASA Astrophysics Data System (ADS)

Vogt, Frédéric P. A.; Owen, Chris I.; Verdes-Montenegro, Lourdes; Borthakur, Sanchayeeta

2016-02-01

Most modern astrophysical data sets are multi-dimensional; a characteristic that can nowadays generally be conserved and exploited scientifically during the data reduction/simulation and analysis cascades. However, the same multi-dimensional data sets are systematically cropped, sliced, and/or projected to printable two-dimensional diagrams at the publication stage. In this article, we introduce the concept of the “X3D pathway” as a mean of simplifying and easing the access to data visualization and publication via three-dimensional (3D) diagrams. The X3D pathway exploits the facts that (1) the X3D 3D file format lies at the center of a product tree that includes interactive HTML documents, 3D printing, and high-end animations, and (2) all high-impact-factor and peer-reviewed journals in astrophysics are now published (some exclusively) online. We argue that the X3D standard is an ideal vector for sharing multi-dimensional data sets because it provides direct access to a range of different data visualization techniques, is fully open source, and is a well-defined standard from the International Organization for Standardization. Unlike other earlier propositions to publish multi-dimensional data sets via 3D diagrams, the X3D pathway is not tied to specific software (prone to rapid and unexpected evolution), but instead is compatible with a range of open-source software already in use by our community. The interactive HTML branch of the X3D pathway is also actively supported by leading peer-reviewed journals in the field of astrophysics. Finally, this article provides interested readers with a detailed set of practical astrophysical examples designed to act as a stepping stone toward the implementation of the X3D pathway for any other data set.

Neutral Kaon Spectrometer 2

NASA Astrophysics Data System (ADS)

Kaneta, M.; Beckford, B.; Fujii, T.; Fujii, Y.; Futatsukawa, K.; Han, Y. C.; Hashimoto, O.; Hirose, K.; Ishikawa, T.; Kanda, H.; Kimura, C.; Maeda, K.; Nakamura, S. N.; Suzuki, K.; Tsukada, K.; Yamamoto, F.; Yamazaki, H.

2018-04-01

A large-acceptance spectrometer, Neutral Kaon Spectrometer 2 (NKS2), was newly constructed to explore various photoproduction reactions in the gigaelectronvolt region at the Laboratory of Nuclear Science (LNS, currently ELPH), Tohoku University. The spectrometer consisted of a dipole magnet, drift chambers, and plastic scintillation counters. NKS2 was designed to separate pions and protons in a momentum range of less than 1 GeV/ c, and was placed in a tagged photon beamline. A cryogenic H2/D2 target fitted to the spectrometer were designed. The design and performance of the detectors are described. The results of the NKS2 experiment on analyzing strangeness photoproduction data using a 0.8-1.1 GeV tagged photon beam are also presented.

Collaborative development for setup, execution, sharing and analytics of complex NMR experiments.

PubMed

Irvine, Alistair G; Slynko, Vadim; Nikolaev, Yaroslav; Senthamarai, Russell R P; Pervushin, Konstantin

2014-02-01

Factory settings of NMR pulse sequences are rarely ideal for every scenario in which they are utilised. The optimisation of NMR experiments has for many years been performed locally, with implementations often specific to an individual spectrometer. Furthermore, these optimised experiments are normally retained solely for the use of an individual laboratory, spectrometer or even single user. Here we introduce a web-based service that provides a database for the deposition, annotation and optimisation of NMR experiments. The application uses a Wiki environment to enable the collaborative development of pulse sequences. It also provides a flexible mechanism to automatically generate NMR experiments from deposited sequences. Multidimensional NMR experiments of proteins and other macromolecules consume significant resources, in terms of both spectrometer time and effort required to analyse the results. Systematic analysis of simulated experiments can enable optimal allocation of NMR resources for structural analysis of proteins. Our web-based application (http://nmrplus.org) provides all the necessary information, includes the auxiliaries (waveforms, decoupling sequences etc.), for analysis of experiments by accurate numerical simulation of multidimensional NMR experiments. The online database of the NMR experiments, together with a systematic evaluation of their sensitivity, provides a framework for selection of the most efficient pulse sequences. The development of such a framework provides a basis for the collaborative optimisation of pulse sequences by the NMR community, with the benefits of this collective effort being available to the whole community. Copyright © 2013 Elsevier Inc. All rights reserved.

Comparative Variable Temperature Studies of Polyamide II with a Benchtop Fourier Transform and a Miniature Handheld Near-Infrared Spectrometer Using 2D-COS and PCMW-2D Analysis.

PubMed

Unger, Miriam; Pfeifer, Frank; Siesler, Heinz W

2016-07-01

The main objective of this communication is to compare the performance of a miniaturized handheld near-infrared (NIR) spectrometer with a benchtop Fourier transform near-infrared (FT-NIR) spectrometer. Generally, NIR spectroscopy is an extremely powerful analytical tool to study hydrogen-bonding changes of amide functionalities in solid and liquid materials and therefore variable temperature NIR measurements of polyamide II (PAII) have been selected as a case study. The information content of the measurement data has been further enhanced by exploiting the potential of two-dimensional correlation spectroscopy (2D-COS) and the perturbation correlation moving window two-dimensional (PCMW2D) evaluation technique. The data provide valuable insights not only into the changes of the hydrogen-bonding structure and the recrystallization of the hydrocarbon segments of the investigated PAII but also in their sequential order. Furthermore, it has been demonstrated that the 2D-COS and PCMW2D results derived from the spectra measured with the miniaturized NIR instrument are equivalent to the information extracted from the data obtained with the high-performance FT-NIR instrument. © The Author(s) 2016.

Measurements of deuterium quadrupole coupling in propiolic acid and fluorobenzenes using pulsed-beam Fourier transform microwave spectrometers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sun, Ming; Sargus, Bryan A.; Carey, Spencer J.

The pure rotational spectra of deuterated propiolic acids (HCCCOOD and DCCCOOH), 1-fluorobenzene (4-d{sub 1}), and 1,2-difluorobenzene (4-d{sub 1}) in their ground states have been measured using two Fourier transform microwave (FTMW) spectrometers at the University of Arizona. For 1-fluorobenzene (4-d{sub 1}), nine hyperfine lines of three different ΔJ = 0 and 1 transitions were measured to check the synthesis method and resolution. For 1,2-difluorobenzene (4-d{sub 1}), we obtained 44 hyperfine transitions from 1 to 12 GHz, including 14 different ΔJ = 0, 1 transitions. Deuterium quadrupole coupling constants along the three principal inertia axes were well determined. For deuterated propiolicmore » acids, 37 hyperfine lines of Pro-OD and 59 hyperfine lines of Pro-CD, covering 11 and 12 different ΔJ = − 1, 0, 1 transitions, respectively, were obtained from 5 to 16 GHz. Deuterium quadrupole coupling constants along the three inertia axes were well resolved for Pro-OD. For Pro-CD, only eQq{sub aa} was determined due to the near coincidence of the CD bond and the least principal inertia axis. Some measurements were made using a newer FTMW spectrometer employing multiple free induction decays as well as background subtraction. For 1-fluorobenzene (4-d{sub 1}) and 1,2-difluorobenzene (4-d{sub 1}), a very large-cavity (1.2 m mirror dia.) spectrometer yielded very high resolution (2 kHz) spectra.« less

Video event classification and image segmentation based on noncausal multidimensional hidden Markov models.

PubMed

Ma, Xiang; Schonfeld, Dan; Khokhar, Ashfaq A

2009-06-01

In this paper, we propose a novel solution to an arbitrary noncausal, multidimensional hidden Markov model (HMM) for image and video classification. First, we show that the noncausal model can be solved by splitting it into multiple causal HMMs and simultaneously solving each causal HMM using a fully synchronous distributed computing framework, therefore referred to as distributed HMMs. Next we present an approximate solution to the multiple causal HMMs that is based on an alternating updating scheme and assumes a realistic sequential computing framework. The parameters of the distributed causal HMMs are estimated by extending the classical 1-D training and classification algorithms to multiple dimensions. The proposed extension to arbitrary causal, multidimensional HMMs allows state transitions that are dependent on all causal neighbors. We, thus, extend three fundamental algorithms to multidimensional causal systems, i.e., 1) expectation-maximization (EM), 2) general forward-backward (GFB), and 3) Viterbi algorithms. In the simulations, we choose to limit ourselves to a noncausal 2-D model whose noncausality is along a single dimension, in order to significantly reduce the computational complexity. Simulation results demonstrate the superior performance, higher accuracy rate, and applicability of the proposed noncausal HMM framework to image and video classification.

Trends in data processing of comprehensive two-dimensional chromatography: state of the art.

PubMed

Matos, João T V; Duarte, Regina M B O; Duarte, Armando C

2012-12-01

The operation of advanced chromatographic systems, namely comprehensive two-dimensional (2D) chromatography coupled to multidimensional detectors, allows achieving a great deal of data that need special care to be processed in order to characterize and quantify as much as possible the analytes under study. The aim of this review is to identify the main trends, research needs and gaps on the techniques for data processing of multidimensional data sets obtained from comprehensive 2D chromatography. The following topics have been identified as the most promising for new developments in the near future: data acquisition and handling, peak detection and quantification, measurement of overlapping of 2D peaks, and data analysis software for 2D chromatography. The rational supporting most of the data processing techniques is based on the generalization of one-dimensional (1D) chromatography although algorithms, such as the inverted watershed algorithm, use the 2D chromatographic data as such. However, for processing more complex N-way data there is a need for using more sophisticated techniques. Apart from using other concepts from 1D chromatography, which have not been tested for 2D chromatography, there is still room for new improvements and developments in algorithms and software for dealing with 2D comprehensive chromatographic data. Copyright © 2012 Elsevier B.V. All rights reserved.

Building a symbolic computer algebra toolbox to compute 2D Fourier transforms in polar coordinates.

PubMed

Dovlo, Edem; Baddour, Natalie

2015-01-01

The development of a symbolic computer algebra toolbox for the computation of two dimensional (2D) Fourier transforms in polar coordinates is presented. Multidimensional Fourier transforms are widely used in image processing, tomographic reconstructions and in fact any application that requires a multidimensional convolution. By examining a function in the frequency domain, additional information and insights may be obtained. The advantages of our method include: •The implementation of the 2D Fourier transform in polar coordinates within the toolbox via the combination of two significantly simpler transforms.•The modular approach along with the idea of lookup tables implemented help avoid the issue of indeterminate results which may occur when attempting to directly evaluate the transform.•The concept also helps prevent unnecessary computation of already known transforms thereby saving memory and processing time.

Simultaneous 3D coincidence imaging of cationic, anionic, and neutral photo-fragments

NASA Astrophysics Data System (ADS)

Shahi, Abhishek; Albeck, Yishai; Strasser, Daniel

2018-01-01

We present the design and simulations of a 3D coincidence imaging spectrometer for fast beam photofragmentation experiments. Coincidence detection of cationic, neutral, and anionic fragments involves spectrometer aberrations that are successfully corrected by an analytical model combined with exact numerical simulations. The spectrometer performance is experimentally demonstrated by characterization of four different channels of intense 800 nm pulse interaction with F2-: F- + F photodissociation, F + F dissociative photodetachment, F+ + F dissociative ionization, and F+ + F+ coulomb explosion. Improved measurement of F2- photodissociation with a 400 nm photon allows a better determination of the F2- anion dissociation energy, 1.256 ± 0.005 eV.

Flame-Generated Vorticity Production in Premixed Flame-Vortex Interactions

NASA Technical Reports Server (NTRS)

Patnaik, G.; Kailasanath, K.

2003-01-01

In this study, we use detailed time-dependent, multi-dimensional numerical simulations to investigate the relative importance of the processes leading to FGV in flame-vortex interactions in normal gravity and microgravity and to determine if the production of vorticity in flames in gravity is the same as that in zero gravity except for the contribution of the gravity term. The numerical simulations will be performed using the computational model developed at NRL, FLAME3D. FLAME3D is a parallel, multi-dimensional (either two- or three-dimensional) flame model based on FLIC2D, which has been used extensively to study the structure and stability of premixed hydrogen and methane flames.

Optical Kerr Spatiotemporal Dark-Lump Dynamics of Hydrodynamic Origin

NASA Astrophysics Data System (ADS)

Baronio, Fabio; Wabnitz, Stefan; Kodama, Yuji

2016-04-01

There is considerable fundamental and applicative interest in obtaining nondiffractive and nondispersive spatiotemporal localized wave packets propagating in optical cubic nonlinear or Kerr media. Here, we analytically predict the existence of a novel family of spatiotemporal dark lump solitary wave solutions of the (2 +1 )D nonlinear Schrödinger equation. Dark lumps represent multidimensional holes of light on a continuous wave background. We analytically derive the dark lumps from the hydrodynamic exact soliton solutions of the (2 +1 )D shallow water Kadomtsev-Petviashvili model, inheriting their complex interaction properties. This finding opens a novel path for the excitation and control of optical spatiotemporal waveforms of hydrodynamic footprint and multidimensional optical extreme wave phenomena.

Optical Kerr Spatiotemporal Dark-Lump Dynamics of Hydrodynamic Origin.

PubMed

Baronio, Fabio; Wabnitz, Stefan; Kodama, Yuji

2016-04-29

There is considerable fundamental and applicative interest in obtaining nondiffractive and nondispersive spatiotemporal localized wave packets propagating in optical cubic nonlinear or Kerr media. Here, we analytically predict the existence of a novel family of spatiotemporal dark lump solitary wave solutions of the (2+1)D nonlinear Schrödinger equation. Dark lumps represent multidimensional holes of light on a continuous wave background. We analytically derive the dark lumps from the hydrodynamic exact soliton solutions of the (2+1)D shallow water Kadomtsev-Petviashvili model, inheriting their complex interaction properties. This finding opens a novel path for the excitation and control of optical spatiotemporal waveforms of hydrodynamic footprint and multidimensional optical extreme wave phenomena.

Building a symbolic computer algebra toolbox to compute 2D Fourier transforms in polar coordinates

PubMed Central

Dovlo, Edem; Baddour, Natalie

2015-01-01

The development of a symbolic computer algebra toolbox for the computation of two dimensional (2D) Fourier transforms in polar coordinates is presented. Multidimensional Fourier transforms are widely used in image processing, tomographic reconstructions and in fact any application that requires a multidimensional convolution. By examining a function in the frequency domain, additional information and insights may be obtained. The advantages of our method include: • The implementation of the 2D Fourier transform in polar coordinates within the toolbox via the combination of two significantly simpler transforms. • The modular approach along with the idea of lookup tables implemented help avoid the issue of indeterminate results which may occur when attempting to directly evaluate the transform. • The concept also helps prevent unnecessary computation of already known transforms thereby saving memory and processing time. PMID:26150988

No Association between the 2D:4D Fetal Testosterone Marker and Multidimensional Attentional Abilities in Children with ADHD

ERIC Educational Resources Information Center

Lemiere, Jurgen; Boets, Bart; Danckaerts, Marina

2010-01-01

Aim: It has been suggested that high levels of prenatal testosterone exposure are implied in the aetiology of attention-deficit-hyperactivity disorder (ADHD). This study examined the association between the ratio of the length of the second and fourth digits (2D:4D ratio), a marker of fetal testosterone exposure, and the presence of ADHD-related…

Nmrglue: an open source Python package for the analysis of multidimensional NMR data.

PubMed

Helmus, Jonathan J; Jaroniec, Christopher P

2013-04-01

Nmrglue, an open source Python package for working with multidimensional NMR data, is described. When used in combination with other Python scientific libraries, nmrglue provides a highly flexible and robust environment for spectral processing, analysis and visualization and includes a number of common utilities such as linear prediction, peak picking and lineshape fitting. The package also enables existing NMR software programs to be readily tied together, currently facilitating the reading, writing and conversion of data stored in Bruker, Agilent/Varian, NMRPipe, Sparky, SIMPSON, and Rowland NMR Toolkit file formats. In addition to standard applications, the versatility offered by nmrglue makes the package particularly suitable for tasks that include manipulating raw spectrometer data files, automated quantitative analysis of multidimensional NMR spectra with irregular lineshapes such as those frequently encountered in the context of biomacromolecular solid-state NMR, and rapid implementation and development of unconventional data processing methods such as covariance NMR and other non-Fourier approaches. Detailed documentation, install files and source code for nmrglue are freely available at http://nmrglue.com. The source code can be redistributed and modified under the New BSD license.

Nmrglue: An Open Source Python Package for the Analysis of Multidimensional NMR Data

PubMed Central

Helmus, Jonathan J.; Jaroniec, Christopher P.

2013-01-01

Nmrglue, an open source Python package for working with multidimensional NMR data, is described. When used in combination with other Python scientific libraries, nmrglue provides a highly flexible and robust environment for spectral processing, analysis and visualization and includes a number of common utilities such as linear prediction, peak picking and lineshape fitting. The package also enables existing NMR software programs to be readily tied together, currently facilitating the reading, writing and conversion of data stored in Bruker, Agilent/Varian, NMRPipe, Sparky, SIMPSON, and Rowland NMR Toolkit file formats. In addition to standard applications, the versatility offered by nmrglue makes the package particularly suitable for tasks that include manipulating raw spectrometer data files, automated quantitative analysis of multidimensional NMR spectra with irregular lineshapes such as those frequently encountered in the context of biomacromolecular solid-state NMR, and rapid implementation and development of unconventional data processing methods such as covariance NMR and other non-Fourier approaches. Detailed documentation, install files and source code for nmrglue are freely available at http://nmrglue.com. The source code can be redistributed and modified under the New BSD license. PMID:23456039

Measurement of emission cross sections for n = 3 → 2 transitions in Neon-like Fe XVII and Ni XIX ions

NASA Astrophysics Data System (ADS)

Lockard, Tom; Brown, Gregory V.; Hell, Natalie; Scofield, J. H.; Beiersdorfer, Peter; Porter, Frederick Scott; Kilbourne, Caroline; Kelley, Richard L.; Leutenegger, Maurice A.; Betancourt-Martinez, Gabriele

2018-06-01

The absolute excitation cross sections of the strong 1s2 2s2 2p51/2 3d3/2 1P1 → 1s2 2s2 2p6 1S0 and 1s2 2s2 2p53/2 3d5/2 3D1 → 1s2 2s2 2p6 1S0 strong resonance and intercombination lines, commonly known as 3C and 3D, have been measured in neon-like Fe16+ and Ni18+. These measurements were carried out at the Lawrence Livermore National Laboratory's EBIT-I electron beam ion trap facility using the EBIT Calorimeter Spectrometer (ECS) quantum microcalorimeter and a flat crystal spectrometer. The absolute excitation cross sections were determined by normalizing the measured spectrum to the X-ray emission from radiative recombination. The direct excitation lines 3C and 3D and radiative recombination (RR) lines were measured simultaneously using the ECS. By normalizing the measured RR flux to their theoretical cross sections, the emission from lines 3C and 3D was made absolute. Using simultaneous measurements from the higher resolution flat crystal spectrometer, it was possible to check for potential blends from lower charge states. Results of our measurements including comparison to theory, will be presented.This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344.

Cumulative area of peaks in a multidimensional high performance liquid chromatogram.

PubMed

Stevenson, Paul G; Guiochon, Georges

2013-09-20

An algorithm was developed to recognize peaks in a multidimensional separation and calculate their cumulative peak area. To find the retention times of peaks in a one dimensional chromatogram, the Savitzky-Golay smoothing filter was used to smooth and find the first through third derivatives of the experimental profiles. Close examination of the shape of these curves informs on the number of peaks that are present and provides starting values for fitting theoretical profiles. Due to the nature of comprehensive multidimensional HPLC, adjacent cut fractions may contain compounds common to more than one cut fraction. The algorithm determines which components were common in adjacent cuts and subsequently calculates the area of a two-dimensional peak profile by interpolating the surface of the 2D peaks between adjacent peaks. This algorithm was tested by calculating the cumulative peak area of a series of 2D-HPLC separations of alkylbenzenes, phenol and caffeine with varied concentrations. A good relationship was found between the concentration and the cumulative peak area. Copyright © 2013 Elsevier B.V. All rights reserved.

2D and 3D Models of Convective Turbulence and Oscillations in Intermediate-Mass Main-Sequence Stars

NASA Astrophysics Data System (ADS)

Guzik, Joyce Ann; Morgan, Taylor H.; Nelson, Nicholas J.; Lovekin, Catherine; Kitiashvili, Irina N.; Mansour, Nagi N.; Kosovichev, Alexander

2015-08-01

We present multidimensional modeling of convection and oscillations in main-sequence stars somewhat more massive than the sun, using three separate approaches: 1) Applying the spherical 3D MHD ASH (Anelastic Spherical Harmonics) code to simulate the core convection and radiative zone. Our goal is to determine whether core convection can excite low-frequency gravity modes, and thereby explain the presence of low frequencies for some hybrid gamma Dor/delta Sct variables for which the envelope convection zone is too shallow for the convective blocking mechanism to drive g modes; 2) Using the 3D planar ‘StellarBox’ radiation hydrodynamics code to model the envelope convection zone and part of the radiative zone. Our goals are to examine the interaction of stellar pulsations with turbulent convection in the envelope, excitation of acoustic modes, and the role of convective overshooting; 3) Applying the ROTORC 2D stellar evolution and dynamics code to calculate evolution with a variety of initial rotation rates and extents of core convective overshooting. The nonradial adiabatic pulsation frequencies of these nonspherical models will be calculated using the 2D pulsation code NRO of Clement. We will present new insights into gamma Dor and delta Sct pulsations gained by multidimensional modeling compared to 1D model expectations.

Low-cost 3D printed 1  nm resolution smartphone sensor-based spectrometer: instrument design and application in ultraviolet spectroscopy.

PubMed

Wilkes, Thomas C; McGonigle, Andrew J S; Willmott, Jon R; Pering, Tom D; Cook, Joseph M

2017-11-01

We report on the development of a low-cost spectrometer, based on off-the-shelf optical components, a 3D printed housing, and a modified Raspberry Pi camera module. With a bandwidth and spectral resolution of ≈60  nm and 1 nm, respectively, this device was designed for ultraviolet (UV) remote sensing of atmospheric sulphur dioxide (SO 2 ), ≈310  nm. To the best of our knowledge, this is the first report of both a UV spectrometer and a nanometer resolution spectrometer based on smartphone sensor technology. The device performance was assessed and validated by measuring column amounts of SO 2 within quartz cells with a differential optical absorption spectroscopy processing routine. This system could easily be reconfigured to cover other UV-visible-near-infrared spectral regions, as well as alternate spectral ranges and/or linewidths. Hence, our intention is also to highlight how this framework could be applied to build bespoke, low-cost, spectrometers for a range of scientific applications.

Chapter 24: Two- and Three-Dimensional Electronic Modeling of Thin-Film Solar Cells

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kanevce, Ana; Metzger, Wyatt K

2016-07-22

Modeling can provide physical insight to device operation, help distinguish important material properties from unimportant properties, predict trends, and help interpret experimental data. Numerical modeling is also useful to simulate different electro-optical experiments, in the presence of grain boundaries (GBs) and nonplanar junctions and geometries, and to help interpret data obtained in such experiments. This chapter presents methods for effective multidimensional modeling. The first step in creating a computational model is defining and providing discretization of a 2D area or a 3D volume. Two main approaches to the discretization have been used for studying solar cells: equivalent-circuit modeling and solvingmore » semiconductor equations. The chapter gives some examples of problems that were addressed with 2D or 3D modeling and the knowledge that was gained through them. Multidimensional modeling including GBs and other material variations is necessary to explain the device physics and experimental results present in diverse thin-film technologies.« less

Enhancing Student Motivation and Engagement: The Effects of a Multidimensional Intervention

ERIC Educational Resources Information Center

Martin, Andrew J.

2008-01-01

The present study sought to investigate the effects of a multidimensional educational intervention on high school students' motivation and engagement. The intervention incorporated: (a) multidimensional targets of motivation and engagement, (b) empirically derived intervention methodology, (c) research-based risk and protective factors, (d)…

Rapid, Time-Division Multiplexed, Direct Absorption- and Wavelength Modulation-Spectroscopy

PubMed Central

Klein, Alexander; Witzel, Oliver; Ebert, Volker

2014-01-01

We present a tunable diode laser spectrometer with a novel, rapid time multiplexed direct absorption- and wavelength modulation-spectroscopy operation mode. The new technique allows enhancing the precision and dynamic range of a tunable diode laser absorption spectrometer without sacrificing accuracy. The spectroscopic technique combines the benefits of absolute concentration measurements using calibration-free direct tunable diode laser absorption spectroscopy (dTDLAS) with the enhanced noise rejection of wavelength modulation spectroscopy (WMS). In this work we demonstrate for the first time a 125 Hz time division multiplexed (TDM-dTDLAS-WMS) spectroscopic scheme by alternating the modulation of a DFB-laser between a triangle-ramp (dTDLAS) and an additional 20 kHz sinusoidal modulation (WMS). The absolute concentration measurement via the dTDLAS-technique allows one to simultaneously calibrate the normalized 2f/1f-signal of the WMS-technique. A dTDLAS/WMS-spectrometer at 1.37 μm for H2O detection was built for experimental validation of the multiplexing scheme over a concentration range from 50 to 3000 ppmV (0.1 MPa, 293 K). A precision of 190 ppbV was achieved with an absorption length of 12.7 cm and an averaging time of two seconds. Our results show a five-fold improvement in precision over the entire concentration range and a significantly decreased averaging time of the spectrometer. PMID:25405508

Frequency-Comb Based Double-Quantum Two-Dimensional Spectrum Identifies Collective Hyperfine Resonances in Atomic Vapor Induced by Dipole-Dipole Interactions

NASA Astrophysics Data System (ADS)

Lomsadze, Bachana; Cundiff, Steven T.

2018-06-01

Frequency-comb based multidimensional coherent spectroscopy is a novel optical method that enables high-resolution measurement in a short acquisition time. The method's resolution makes multidimensional coherent spectroscopy relevant for atomic systems that have narrow resonances. We use double-quantum multidimensional coherent spectroscopy to reveal collective hyperfine resonances in rubidium vapor at 100 °C induced by dipole-dipole interactions. We observe tilted and elongated line shapes in the double-quantum 2D spectra, which have never been reported for Doppler-broadened systems. The elongated line shapes suggest that the signal is predominately from the interacting atoms that have a near zero relative velocity.

Comprehensive analysis of a multidimensional liquid chromatography mass spectrometry dataset acquired on a quadrupole selecting, quadrupole collision cell, time-of-flight mass spectrometer: I. How much of the data is theoretically interpretable by search engines?

PubMed

Chalkley, Robert J; Baker, Peter R; Hansen, Kirk C; Medzihradszky, Katalin F; Allen, Nadia P; Rexach, Michael; Burlingame, Alma L

2005-08-01

An in-depth analysis of a multidimensional chromatography-mass spectrometry dataset acquired on a quadrupole selecting, quadrupole collision cell, time-of-flight (QqTOF) geometry instrument was carried out. A total of 3269 CID spectra were acquired. Through manual verification of database search results and de novo interpretation of spectra 2368 spectra could be confidently determined as predicted tryptic peptides. A detailed analysis of the non-matching spectra was also carried out, highlighting what the non-matching spectra in a database search typically are composed of. The results of this comprehensive dataset study demonstrate that QqTOF instruments produce information-rich data of which a high percentage of the data is readily interpretable.

Multidimensional NMR approaches towards highly resolved, sensitive and high-throughput quantitative metabolomics.

PubMed

Marchand, Jérémy; Martineau, Estelle; Guitton, Yann; Dervilly-Pinel, Gaud; Giraudeau, Patrick

2017-02-01

Multi-dimensional NMR is an appealing approach for dealing with the challenging complexity of biological samples in metabolomics. This article describes how spectroscopists have recently challenged their imagination in order to make 2D NMR a powerful tool for quantitative metabolomics, based on innovative pulse sequences combined with meticulous analytical chemistry approaches. Clever time-saving strategies have also been explored to make 2D NMR a high-throughput tool for metabolomics, relying on alternative data acquisition schemes such as ultrafast NMR. Currently, much work is aimed at drastically boosting the NMR sensitivity thanks to hyperpolarisation techniques, which have been used in combination with fast acquisition methods and could greatly expand the application potential of NMR metabolomics. Copyright © 2016 Elsevier Ltd. All rights reserved.

Rapid isolation, reliable characterization, and water solubility improvement of polymethoxyflavones from cold-pressed mandarin essential oil.

PubMed

Russo, Marina; Rigano, Francesca; Arigò, Adriana; Sciarrone, Danilo; Calabrò, Maria Luisa; Farnetti, Sara; Dugo, Paola; Mondello, Luigi

2016-06-01

Polymethoxyflavones possess many biological properties, as lipid-lowering, hypoglycaemic, anti-inflammatory, antioxidant, and anticancer activities, therefore, they may be employed as nutraceuticals or therapeutic agents. The scarcity of pure polymethoxyflavones on the market as well as their low water solubility limited in vivo studies and the use of polymethoxyflavones as food or pharmaceutical supplements. Since mandarin peels are a rich source of polymethoxyflavones, tangeretin, nobiletin, sinensetin, tetra-O-methyl scutellarein, and heptamethoxyflavone were purified from a nonvolatile residue of a cold-pressed mandarin essential oil using a multidimensional preparative liquid chromatographic system coupled with a photodiode array detector and a single quadrupole mass spectrometer. A new prototype, consisting of a nano-liquid chromatography system coupled with an electron ionization mass spectrometer, was used for the characterization of the pure isolated molecules. Finally, due to the collection of highly pure nobiletin and tangeretin, the ability of 2-hydroxypropyl-β-cyclodextrin to enhance the water solubility of both polymethoxyflavones was evaluated by phase solubility studies and Job's plot method. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Multi-Dimensional Asymptotically Stable 4th Order Accurate Schemes for the Diffusion Equation

NASA Technical Reports Server (NTRS)

Abarbanel, Saul; Ditkowski, Adi

1996-01-01

An algorithm is presented which solves the multi-dimensional diffusion equation on co mplex shapes to 4th-order accuracy and is asymptotically stable in time. This bounded-error result is achieved by constructing, on a rectangular grid, a differentiation matrix whose symmetric part is negative definite. The differentiation matrix accounts for the Dirichlet boundary condition by imposing penalty like terms. Numerical examples in 2-D show that the method is effective even where standard schemes, stable by traditional definitions fail.

Design of a Slab Waveguide Multiaperture Fourier Spectrometer for Water Vapor Measurements in Earth's Atmosphere

NASA Astrophysics Data System (ADS)

Sinclair, Kenneth; Florjańczyk, Mirosław; Solheim, Brian; Scott, Alan; Quine, Ben; Cheben, Pavel

Concept, theory and design of a new type of waveguide device, a multiaperture Fourier-transform planar waveguide spectrometer[1], implemented as a prototype instrument is pre-sented. The spectrometer's objective is to demonstrate the ability of the new slab waveguide technology for application in remote sensing instruments[2]. The spectrometer will use a limb viewing configuration to detect the 1.36um waveband allowing concentrations of water vapor in earth's atmosphere to be measured[3]. The most challenging aspects of the design, assembly and calibration are presented. Focus will be given to the effects of packaging the spectrometer and interfacing to the detector array. Stress-induced birefringence will affect the performance of the waveguides, therefore the design of a stress-free mounting over a range of temperatures is important. Spectral retrieval algo-rithms will have to correct for expected fabrication errors in the waveguides. Data processing algorithms will also be developed to correct for non-uniformities of input brightness through the array, making use of MMI output couplers to capture both the in-phase and anti-phase interferometer outputs. A performance assessment of an existing breadboard spectrometer will demonstrate the capability of the instrument. REFERENCES 1. M. Florjáczyk, P. Cheben, S. Janz, A. Scott, B. Solheim, and D.-X. Xu, "Multiaper-n ture planar waveguide spectrometer formed by arrayed Mach-Zehnder interferometers," Opt. Expr. 15(26), 18176-18189 (2007). 2. M. Florjáczyk, P. Cheben, S. Janz, B. Lamontagne, J. n Lapointe, A. Scott, B. Solheim, and D.-X. Xu, "Slab waveguiode spatial heterodyne spectrom-eters for remote sensing from space," Optical sensors 2009. Proceedings of the SPIE, Volume 7356 (2009)., pp. 73560V-73560V-7 (2009). 3. A. Scott, M. Florjáczyk, P. Cheben, S. Janz, n B. Solheim, and D.-X. Xu, "Micro-interferometer with high throughput for remote sensing." MOEMS and Miniaturized Systems VIII. Proceedings of the SPIE, Volume 7208 (2009)., pp. 72080G-72080G-7 (2009).

Electric Field Induced Spectra of H sub 2 and D sub 2

NASA Technical Reports Server (NTRS)

Boyd, William Joseph

1974-01-01

The frequencies of four Q-branch lines of H2 and five Q-branch lines of D2 were measured as a function of density, and their shifts were observed to be in the linear region. The individual slopes and extrapolated zero density frequency of each line was determined. Hydrogen was measured for polarizability using the integrated intensity of the Q1(0) and S1(1), H2 absorption line. A highly automated technique for determining the response function of the spectrometer using digitally recorded data is presented. For the Q1(0) and Q1(1) lines of H2 the halfwidths were measured as a function of electric field intensity at constant pressure, and again at several densities and compared to previously measured widths. Technical and operational details of equipment built for this experiment, and for the five-meter Littrow spectrometer used, are described. Modifications of the spectrometer optics to accept the Stark cell are discussed.

A multidimensional finite element method for CFD

NASA Technical Reports Server (NTRS)

Pepper, Darrell W.; Humphrey, Joseph W.

1991-01-01

A finite element method is used to solve the equations of motion for 2- and 3-D fluid flow. The time-dependent equations are solved explicitly using quadrilateral (2-D) and hexahedral (3-D) elements, mass lumping, and reduced integration. A Petrov-Galerkin technique is applied to the advection terms. The method requires a minimum of computational storage, executes quickly, and is scalable for execution on computer systems ranging from PCs to supercomputers.

Symmetric convolution of asymmetric multidimensional sequences using discrete trigonometric transforms.

PubMed

Foltz, T M; Welsh, B M

1999-01-01

This paper uses the fact that the discrete Fourier transform diagonalizes a circulant matrix to provide an alternate derivation of the symmetric convolution-multiplication property for discrete trigonometric transforms. Derived in this manner, the symmetric convolution-multiplication property extends easily to multiple dimensions using the notion of block circulant matrices and generalizes to multidimensional asymmetric sequences. The symmetric convolution of multidimensional asymmetric sequences can then be accomplished by taking the product of the trigonometric transforms of the sequences and then applying an inverse trigonometric transform to the result. An example is given of how this theory can be used for applying a two-dimensional (2-D) finite impulse response (FIR) filter with nonlinear phase which models atmospheric turbulence.

Multidimensional Multiphysics Simulation of TRISO Particle Fuel

DOE Office of Scientific and Technical Information (OSTI.GOV)

J. D. Hales; R. L. Williamson; S. R. Novascone

2013-11-01

Multidimensional multiphysics analysis of TRISO-coated particle fuel using the BISON finite-element based nuclear fuels code is described. The governing equations and material models applicable to particle fuel and implemented in BISON are outlined. Code verification based on a recent IAEA benchmarking exercise is described, and excellant comparisons are reported. Multiple TRISO-coated particles of increasing geometric complexity are considered. It is shown that the code's ability to perform large-scale parallel computations permits application to complex 3D phenomena while very efficient solutions for either 1D spherically symmetric or 2D axisymmetric geometries are straightforward. Additionally, the flexibility to easily include new physical andmore » material models and uncomplicated ability to couple to lower length scale simulations makes BISON a powerful tool for simulation of coated-particle fuel. Future code development activities and potential applications are identified.« less

Assessing Construct Validity Using Multidimensional Item Response Theory.

ERIC Educational Resources Information Center

Ackerman, Terry A.

The concept of a user-specified validity sector is discussed. The idea of the validity sector combines the work of M. D. Reckase (1986) and R. Shealy and W. Stout (1991). Reckase developed a methodology to represent an item in a multidimensional latent space as a vector. Item vectors are computed using multidimensional item response theory item…

6D Visualization of Multidimensional Data by Means of Cognitive Technology

NASA Astrophysics Data System (ADS)

Vitkovskiy, V.; Gorohov, V.; Komarinskiy, S.

2010-12-01

On the basis of the cognitive graphics concept, we worked out the SW-system for visualization and analysis. It allows to train and to aggravate intuition of researcher, to raise his interest and motivation to the creative, scientific cognition, to realize process of dialogue with the very problems simultaneously. The Space Hedgehog system is the next step in the cognitive means of the multidimensional data analyze. The technique and technology cognitive 6D visualization of the multidimensional data is developed on the basis of the cognitive visualization research and technology development. The Space Hedgehog system allows direct dynamic visualization of 6D objects. It is developed with use of experience of the program Space Walker creation and its applications.

Integrated multidimensional and comprehensive 2D GC analysis of fatty acid methyl esters.

PubMed

Zeng, Annie Xu; Chin, Sung-Tong; Marriott, Philip J

2013-03-01

Fatty acid methyl ester (FAME) profiling in complex fish oil and milk fat samples was studied using integrated comprehensive 2D GC (GC × GC) and multidimensional GC (MDGC). Using GC × GC, FAME compounds--cis- and trans-isomers, and essential fatty acid isomers--ranging from C18 to C22 in fish oil and C18 in milk fat were clearly displayed in contour plot format according to structural properties and patterns, further identified based on authentic standards. Incompletely resolved regions were subjected to MDGC, with Cn (n = 18, 20) zones transferred to a (2)D column. Elution behavior of C18 FAME on various (2)D column phases (ionic liquids IL111, IL100, IL76, and modified PEG) was evaluated. Individual isolated Cn zones demonstrated about four-fold increased peak capacities. The IL100 provided superior separation, good peak shape, and utilization of elution space. For milk fat-derived FAME, the (2)D chromatogram revealed at least three peaks corresponding to C18:1, more than six peaks for cis/trans-C18:2 isomers, and two peaks for C18:3. More than 17 peaks were obtained for the C20 region of fish oil-derived FAMEs using MDGC, compared with ten peaks using GC × GC. The MDGC strategy is useful for improved FAME isomer separation and confirmation. © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Study and evaluation of impulse mass spectrometers for ion analysis in the D and E regions of the ionosphere

NASA Technical Reports Server (NTRS)

Kendall, B. R.

1979-01-01

Theoretical and numerical analyses were made of planar, cylindrical and spherical electrode time-of-flight mass spectrometers in order to optimize their operating conditions. A numerical analysis of potential barrier gating in time-of-flight spectrometers was also made. The results were used in the design of several small mass spectrometers. These were constructed and tested in a laboratory space simulator. Detailed experimental studies of a miniature cylindrical electrode time of flight mass spectrometer and of a miniature hemispherical electrode time of flight mass spectrometer were made. The extremely high sensitivity of these instruments and their ability to operate at D region pressures with an open source make them ideal instruments for D region ion composition measurements.

Evaluation of Comprehensive 2-D Gas Chromatography-Time-Of-Flight Mass Spectrometry for 209 Chlorinated Biphenyl Congeners in Two Chromatographic Runs

EPA Science Inventory

This research evaluates a recently developed comprehensive 2-D GC coupled with a time-of-flight (TOF) mass spectrometer for the potential separation of 209 PCB congeners, using a sequence of 1-D and 2-D chromatographic modes. In two consecutive chromatographic runs, using a 40 m,...

Analysis of a crossed Bragg cell acousto-optical spectrometer for SETI

NASA Technical Reports Server (NTRS)

Gulkis, S.

1989-01-01

The search for radio signals from extraterrestrial intelligent beings (SETI) requires the use of large instantaneous bandwidth (500 MHz) and high resolution (20 Hz) spectrometers. Digital systems with a high degree of modularity can be used to provide this capability, and this method has been widely discussed. Another technique for meeting the SETI requirement is to use a crossed Bragg cell spectrometer as described by Psaltis and Casasent. This technique makes use of the Folded Spectrum concept, introduced by Thomas. The Folded Spectrum is a 2-D Fourier Transform of a raster scanned 1-D signal. It is directly related to the long 1-D spectrum of the original signal and is ideally suited for optical signal processing. The folded spectrum technique has received little attention to date, primarily because early systems made use of photographic film which are unsuitable for the real time data analysis and voluminous data requirements of SETI. An analysis of the crossed Bragg cell spectrometer is presented as a method to achieve the spectral processing requirements for SETI. Systematic noise contributions unique to the Bragg cell system will be discussed.

Analysis of a crossed Bragg cell acousto-optical spectrometer for SETI.

PubMed

Gulkis, S

1989-01-01

The search for radio signals from extraterrestrial intelligent beings (SETI) requires the use of large instantaneous bandwidth (500 MHz) and high resolution (20 Hz) spectrometers. Digital systems with a high degree of modularity can be used to provide this capability, and this method has been widely discussed. Another technique for meeting the SETI requirement is to use a crossed Bragg cell spectrometer as described by Psaltis and Casasent. This technique makes use of the Folded Spectrum concept, introduced by Thomas. The Folded Spectrum is a 2-D Fourier Transform of a raster scanned 1-D signal. It is directly related to the long 1-D spectrum of the original signal and is ideally suited for optical signal processing. The folded spectrum technique has received little attention to date, primarily because early systems made use of photographic film which are unsuitable for the real time data analysis and voluminous data requirements of SETI. An analysis of the crossed Bragg cell spectrometer is presented as a method to achieve the spectral processing requirements for SETI. Systematic noise contributions unique to the Bragg cell system will be discussed.

Analysis of a crossed Bragg cell acousto-optical spectrometer for SETI

NASA Astrophysics Data System (ADS)

Gulkis, Samuel

The search for radio signals from extraterrestrial intelligent beings (SETI) requires the use of large instantaneous bandwidth (500 MHz) and high resolution (20 Hz) spectrometers. Digital systems with a high degree of modularity can be used to provide this capability, and this method has been widely discussed. Another technique for meeting the SETI requirement is to use a crossed Bragg cell spectrometer as described by Psaltis and Casasent. This technique makes use of the Folded Spectrum concept, introduced by Thomas. The Folded Spectrum is a 2-D Fourier Transform of a raster scanned 1-D signal. It is directly related to the long 1-D spectrum of the original signal and is ideally suited for optical signal processing. The folded spectrum technique has received little attention to date, primarily because early systems made use of photographic film which are unsuitable for the real time data analysis and voluminous data requirements of SETI. An analysis of the crossed Bragg cell spectrometer is presented as a method to achieve the spectral processing requirements for SETI. Systematic noise contributions unique to the Bragg cell system will be discussed.

The compact neutron spectrometer at ASDEX Upgrade.

PubMed

Giacomelli, L; Zimbal, A; Tittelmeier, K; Schuhmacher, H; Tardini, G; Neu, R

2011-12-01

The first neutron spectrometer of ASDEX Upgrade (AUG) was installed in November 2008. It is a compact neutron spectrometer (CNS) based on a BC501A liquid scintillating detector, which can simultaneously measure 2.45-MeV and 14-MeV neutrons emitted from deuterium (D) plasmas and γ radiation. The scintillating detector is coupled to a digital pulse shape discrimination data acquisition (DPSD) system capable of count rates up to 10(6) s(-1). The DPSD system can operate in acquisition and processing mode. With the latter n-γ discrimination is performed off-line based on the two-gate method. The paper describes the tests of the CNS and its installation at AUG. The neutron emission from the D plasma measured during a discharge with high auxiliary heating power was used to validate the CNS performance. The study of the optimal settings for the DPSD data processing to maximize the n-γ discrimination capability of the CNS is reported. The CNS measured both 2.45-MeV and 14-MeV neutrons emitted in AUG D plasmas with a maximum count rate of 5.4 × 10(5) s(-1) (>10 times higher than similar spectrometers previously achieved) with an efficiency of 9.3 × 10(-10) events per AUG neutron.

Practical alignment method for X-ray spectral measurement in micro-CT system based on 3D printing technology.

PubMed

Ren, Liqiang; Wu, Di; Li, Yuhua; Zheng, Bin; Chen, Yong; Yang, Kai; Liu, Hong

2016-06-01

This study presents a practical alignment method for X-ray spectral measurement in a rotating gantry based micro-computed tomography (micro-CT) system using three-dimensional (3D) printing technology. In order to facilitate the spectrometer placement inside the gantry, supporting structures including a cover and a stand were dedicatedly designed and printed using a 3D printer. According to the relative position between the spectrometer and the stand, the upright projection of the spectrometer collimator onto the stand was determined and then marked by a tungsten pinhole. Thus, a visible alignment indicator of the X-ray central beam and the spectrometer collimator represented by the pinhole was established in the micro-CT live mode. Then, a rough alignment could be achieved through repeatedly adjusting and imaging the stand until the pinhole was located at the center of the acquired projection image. With the spectrometer being positioned back onto the stand, the precise alignment was completed by slightly translating the spectrometer-stand assembly around the rough location, until finding a "sweet spot" with the highest photon rate and proper distribution of the X-ray photons in the resultant spectrum. The spectra were acquired under precise alignment and misalignment of approximately 0.2, 0.5, and 1.0mm away from the precise alignment position, and then were compared in qualitative and quantitative analyses. Qualitative analysis results show that, with slight misalignment, the photon rate is reduced from 1302 to 1098, 1031, and 416 photons/second (p/s), respectively, and the characteristic peaks in the acquired spectra are gradually deteriorated. Quantitative analysis indicates that the energy resolutions for characteristic peak of K α1 were calculated as 1.56% for precise alignment, while were 1.84% and 2.40% for slight misalignment of 0.2mm and 0.5mm. The mean energies were reduced from 43.93keV under precise alignment condition to 40.97, 39.63 and 37.78keV when misaligned. Accurate spectral measurements in micro-CT systems are significantly influenced by the alignment precision. This practical alignment method using 3D printing technology could be readily applied to other rotating gantry based micro-CT systems with modified design of the supporting structures and careful considerations of the spectrometer and gantry dimensions.

Practical alignment method for X-ray spectral measurement in micro-CT system based on 3D printing technology

PubMed Central

Ren, Liqiang; Wu, Di; Li, Yuhua; Zheng, Bin; Chen, Yong; Yang, Kai; Liu, Hong

2016-01-01

This study presents a practical alignment method for X-ray spectral measurement in a rotating gantry based micro-computed tomography (micro-CT) system using three-dimensional (3D) printing technology. In order to facilitate the spectrometer placement inside the gantry, supporting structures including a cover and a stand were dedicatedly designed and printed using a 3D printer. According to the relative position between the spectrometer and the stand, the upright projection of the spectrometer collimator onto the stand was determined and then marked by a tungsten pinhole. Thus, a visible alignment indicator of the X-ray central beam and the spectrometer collimator represented by the pinhole was established in the micro-CT live mode. Then, a rough alignment could be achieved through repeatedly adjusting and imaging the stand until the pinhole was located at the center of the acquired projection image. With the spectrometer being positioned back onto the stand, the precise alignment was completed by slightly translating the spectrometer-stand assembly around the rough location, until finding a “sweet spot” with the highest photon rate and proper distribution of the X-ray photons in the resultant spectrum. The spectra were acquired under precise alignment and misalignment of approximately 0.2, 0.5, and 1.0mm away from the precise alignment position, and then were compared in qualitative and quantitative analyses. Qualitative analysis results show that, with slight misalignment, the photon rate is reduced from 1302 to 1098, 1031, and 416 photons/second (p/s), respectively, and the characteristic peaks in the acquired spectra are gradually deteriorated. Quantitative analysis indicates that the energy resolutions for characteristic peak of Kα1 were calculated as 1.56% for precise alignment, while were 1.84% and 2.40% for slight misalignment of 0.2mm and 0.5mm. The mean energies were reduced from 43.93keV under precise alignment condition to 40.97, 39.63 and 37.78keV when misaligned. Accurate spectral measurements in micro-CT systems are significantly influenced by the alignment precision. This practical alignment method using 3D printing technology could be readily applied to other rotating gantry based micro-CT systems with modified design of the supporting structures and careful considerations of the spectrometer and gantry dimensions. PMID:27777787

X-ray and extreme ultraviolet spectroscopy on DIII-D

NASA Astrophysics Data System (ADS)

Victor, B. S.; Allen, S. L.; Beiersdorfer, P.; Magee, E. W.

2017-06-01

Two spectrometers were installed to measure tungsten emission in the core of DIII-D plasmas during a metal rings experimental campaign. The spectral range of the high-resolution (1340 spectral channels), variable-ruled grating X-ray and Extreme Ultraviolet Spectrometer (XEUS) extends from 10-71 dot A. The spectral range of the second spectrometer, the Long-Wavelength Extreme Ultraviolet Spectrometer (LoWEUS), measures between 31-174 dot A. Three groups of tungsten lines were identified with XEUS: W38+-W45+ from 47-63 dot A, W27+-W35+ from 45-55 dot A, and W28+-W33+ from 16-30 dot A. Emission lines from tungsten charge states W28+, W43+, W44+, and W45+ are identified and the line amplitude is presented versus time. Peak emission of W43+-W45+ occurs between core Te=2.5-3 keV, and peak emission of W28+ occurs at core Te<=1.3 keV. One group of tungsten lines, W40+-W45+, between 120-140 dot A, was identified with LoWEUS. W43+-W45+ lines measured with LoWEUS track the sawtooth cycle. Sensitivity to the sawtooth cycle and the correlation of the peak emission with core electron temperature show that these spectrometers track the on-axis tungsten emission of DIII-D plasmas.

Remote Imaging by Nanosecond Terahertz Spectrometer with Standoff Detector

NASA Astrophysics Data System (ADS)

Huang, J.-G.; Huang, Z.-M.; Andreev, Yu. M.; Kokh, K. A.; Lanskii, G. V.; Potekaev, A. I.; Svetlichnyi, V. A.

2018-01-01

Creation and application of the remote imaging spectrometer based on high power nanosecond terahertz source with standoff detector is reported. 2D transmission images of metal objects hided in nonconductive (dielectric) materials were recorded. Reflection images of metal objects mounted on silicon wafers are recorded with simultaneous determination of the wafer parameters (thickness/material).

Broadband 2D electronic spectrometer using white light and pulse shaping: noise and signal evaluation at 1 and 100 kHz.

PubMed

Kearns, Nicholas M; Mehlenbacher, Randy D; Jones, Andrew C; Zanni, Martin T

2017-04-03

We have developed a broad bandwidth two-dimensional electronic spectrometer that operates shot-to-shot at repetition rates up to 100 kHz using an acousto-optic pulse shaper. It is called a two-dimensional white-light (2D-WL) spectrometer because the input is white-light supercontinuum. Methods for 100 kHz data collection are studied to understand how laser noise is incorporated into 2D spectra during measurement. At 100 kHz, shot-to-shot scanning of the delays and phases of the pulses in the pulse sequence produces a 2D spectrum 13-times faster and with the same signal-to-noise as using mechanical stages and a chopper. Comparing 100 to 1 kHz repetition rates, data acquisition time is decreased by a factor of 200, which is beyond the improvement expected by the repetition rates alone due to reduction in 1/f noise. These improvements arise because shot-to-shot readout and modulation of the pulse train at 100 kHz enables the electronic coherences to be measured faster than the decay in correlation between laser intensities. Using white light supercontinuum for the pump and probe pulses produces high signal-to-noise spectra on samples with optical densities <0.1 within a few minutes of averaging and an instrument response time of <46 fs thereby demonstrating that that simple broadband continuum sources, although weak, are sufficient to create high quality 2D spectra with >200 nm bandwidth.

2D Array of Far-infrared Thermal Detectors: Noise Measurements and Processing Issues

NASA Technical Reports Server (NTRS)

Lakew, B.; Aslam, S.; Stevenson, T.

2008-01-01

A magnesium diboride (MgB2) detector 2D array for use in future space-based spectrometers is being developed at GSFC. Expected pixel sensitivities and comparison to current state-of-the-art infrared (IR) detectors will be discussed.

Composition and evolution of the atmosphere of Venus

NASA Technical Reports Server (NTRS)

Donahue, Thomas (Principal Investigator)

1996-01-01

The contract year started by analyzing Jovian atmospheric data acquired by the Galileo Probe Mass Spectrometer (GPMS). Two Venus hydrogen projects got underway as well. The first study strives to understand how to reconcile the standard treatment of the evolution of the H2O and HDO resevoirs on Venus over 4.5 Gyr in the presence of H and D escape and injection by comets. The second study is calculating the charge exchange contribution to hydrogen loss rates, using realistic models for exospheric H, H(+), D, D(+), and ion temperature from PV data. This report includes the following papers as attachments and supporting data: 'The Galileo Probe Mass Spectrometer: Composition of Jupiter's Atmosphere'; 'Chemical Composition Measurements of the Atmosphere of Jupiter with the Galileo Probe Mass Spectrometer'; 'Ion/Neutral Escape of Hydrogen and Deuterium: Evolution of Water'; 'Hydrogen and Deuterium in the Thermosphere of Venus: Solar Cycle Variations and Escape'; and 'Solar Cycle Variations in H(+) and D(+) Densities in the Venus Ionosphere: Implications for Escape'.

Multidimensional Interactive Radiology Report and Analysis: standardization of workflow and reporting for renal mass tracking and quantification

NASA Astrophysics Data System (ADS)

Hwang, Darryl H.; Ma, Kevin; Yepes, Fernando; Nadamuni, Mridula; Nayyar, Megha; Liu, Brent; Duddalwar, Vinay; Lepore, Natasha

2015-12-01

A conventional radiology report primarily consists of a large amount of unstructured text, and lacks clear, concise, consistent and content-rich information. Hence, an area of unmet clinical need consists of developing better ways to communicate radiology findings and information specific to each patient. Here, we design a new workflow and reporting system that combines and integrates advances in engineering technology with those from the medical sciences, the Multidimensional Interactive Radiology Report and Analysis (MIRRA). Until recently, clinical standards have primarily relied on 2D images for the purpose of measurement, but with the advent of 3D processing, many of the manually measured metrics can be automated, leading to better reproducibility and less subjective measurement placement. Hence, we make use this newly available 3D processing in our workflow. Our pipeline is used here to standardize the labeling, tracking, and quantifying of metrics for renal masses.

Innovative optical spectrometers for ice core sciences and atmospheric monitoring at polar regions

NASA Astrophysics Data System (ADS)

Grilli, Roberto; Alemany, Olivier; Chappellaz, Jérôme; Desbois, Thibault; Faïn, Xavier; Kassi, Samir; Kerstel, Erik; Legrand, Michel; Marrocco, Nicola; Méjean, Guillaume; Preunkert, Suzanne; Romanini, Daniele; Triest, Jack; Ventrillard, Irene

2015-04-01

In this talk recent developments accomplished from a collaboration between the Laboratoire Interdisciplinaire de Physique (LIPhy) and the Laboratoire de Glaciologie et Géophysique de l'Environnement (LGGE) both in Grenoble (France), are discussed, covering atmospheric chemistry of high reactive species in polar regions and employing optical spectrometers for both in situ and laboratory measurements of glacial archives. In the framework of an ANR project, a transportable spectrometer based on the injection of a broadband frequency comb laser into a high-finesse optical cavity for the detection of IO, BrO, NO2 and H2CO has been realized.[1] The robust spectrometer provides shot-noise limited measurements for as long as 10 minutes, reaching detection limits of 0.04, 2, 10 and 200 ppt (2σ) for the four species, respectively. During the austral summer of 2011/12 the instrument has been used for monitoring, for the first time, NO2, IO and BrO at Dumont d'Urville Station at East of Antarctica. The measurements highlighted a different chemistry between East and West coast, with the halogen chemistry being promoted to the West and the OH and NOx chemistry on the East.[2] In the framework of a SUBGLACIOR project, an innovative drilling probe has been realized. The instrument is capable of retrieving in situ real-time vertical profiles of CH4 and δD of H2O trapped inside the ice sheet down to more than 3 km of depth within a single Antarctic season. The drilling probe containing an embedded OFCEAS (optical-feedback cavity-enhanced absorption spectroscopy) spectrometer will be extremely useful for (i) identify potential sites for investigating the oldest ice (aiming 1.5 Myrs BP records for resolving a major climate reorganization called the Mid-Pleistocene transition occurred around 1 Myrs ago) and (ii) providing direct access to past temperatures and climate cycles thanks to the vertical distribution of two key climatic signatures.[3] The spectrometer provides detection limit of 0.2 ppbv for CH4 and a precision of 0.2o on the δD of H2O within ~1 min of integration time. The spectrometer and the home-made gas sampling has been tested during an oceanographic campaign last summer in the Mediterranean Sea, measuring the vertical distribution of CH4 dissolved in seawater. The project is now moving forward its final goal which consists of employing the probe for a first test season at Concordia station during the Austral summer of 2016/17, and then for the 'oldest ice challenge' drilling season scheduled in the Austral summer of 2017/18. Finally, preliminary results on the isotope ratio measurements of CO18O,13CO2 and 13CO18O will be presented. A novel spectrometer, based on OFCAES technique employing a Quantum Cascade Laser around 4.4 μm wavelength, offers a precision below 0.05 o for the three isotopic anomalies, for 200 ppmv of CO2 samples. The optical device will be employed for laboratory experiments coupling it with a continuous ice-crushing extraction system for analyzing trapped bubbles of gas in Antarctica ice cores. [1] R. Grilli, G. Méjean, S. Kassi, I. Ventrillard, C. Abd-Alrahman, and D. Romanini, 'Frequency Comb Based Spectrometer for in Situ and Real Time Measurements of IO, BrO, NO2, and H2CO at pptv and ppqv Levels.,' Environ. Sci. Technol., vol. 46, no. 19, pp. 10704-10, Oct. 2012. [2] R. Grilli, M. Legrand, A. Kukui, G. Méjean, S. Preunkert, and D. Romanini, 'First investigations of IO, BrO, and NO2 summer atmospheric levels at a coastal East Antarctic site using mode-locked cavity enhanced absorption spectroscopy,' Geophys. Res. Lett., vol. 40, pp. 1-6, Feb. 2013. [3] R. Grilli, N. Marrocco, T. Desbois, C. Guillerm, J. Triest, E. Kerstel, and D. Romanini, 'Invited Article: SUBGLACIOR: An optical analyzer embedded in an Antarctic ice probe for exploring the past climate,' Rev. Sci. Instrum., vol. 85, no. 111301, pp. 1-7, 2014.

Numerical simulation of multi-dimensional NMR response in tight sandstone

NASA Astrophysics Data System (ADS)

Guo, Jiangfeng; Xie, Ranhong; Zou, Youlong; Ding, Yejiao

2016-06-01

Conventional logging methods have limitations in the evaluation of tight sandstone reservoirs. The multi-dimensional nuclear magnetic resonance (NMR) logging method has the advantage that it can simultaneously measure transverse relaxation time (T 2), longitudinal relaxation time (T 1) and diffusion coefficient (D). In this paper, we simulate NMR measurements of tight sandstone with different wettability and saturations by the random walk method and obtain the magnetization decays of Carr-Purcell-Meiboom-Gill pulse sequences with different wait times (TW) and echo spacings (TE) under a magnetic field gradient, resulting in D-T 2-T 1 maps by the multiple echo trains joint inversion method. We also study the effects of wettability, saturation, signal-to-noise ratio (SNR) of data and restricted diffusion on the D-T 2-T 1 maps in tight sandstone. The results show that with decreasing wetting fluid saturation, the surface relaxation rate of the wetting fluid gradually increases and the restricted diffusion phenomenon becomes more and more obvious, which leads to the wetting fluid signal moving along the direction of short relaxation and the direction of the diffusion coefficient decreasing in D-T 2-T 1 maps. Meanwhile, the non-wetting fluid position in D-T 2-T 1 maps does not change with saturation variation. With decreasing SNR, the ability to identify water and oil signals based on NMR maps gradually decreases. The wetting fluid D-T 1 and D-T 2 correlations in NMR diffusion-relaxation maps of tight sandstone are obtained through expanding the wetting fluid restricted diffusion models, and are further applied to recognize the wetting fluid in simulated D-T 2 maps and D-T 1 maps.

Design of a k-space spectrometer for ultra-broad waveband spectral domain optical coherence tomography.

PubMed

Lan, Gongpu; Li, Guoqiang

2017-03-07

Nonlinear sampling of the interferograms in wavenumber (k) space degrades the depth-dependent signal sensitivity in conventional spectral domain optical coherence tomography (SD-OCT). Here we report a linear-in-wavenumber (k-space) spectrometer for an ultra-broad bandwidth (760 nm-920 nm) SD-OCT, whereby a combination of a grating and a prism serves as the dispersion group. Quantitative ray tracing is applied to optimize the linearity and minimize the optical path differences for the dispersed wavenumbers. Zemax simulation is used to fit the point spread functions to the rectangular shape of the pixels of the line-scan camera and to improve the pixel sampling rates. An experimental SD-OCT is built to test and compare the performance of the k-space spectrometer with that of a conventional one. Design results demonstrate that this k-space spectrometer can reduce the nonlinearity error in k-space from 14.86% to 0.47% (by approximately 30 times) compared to the conventional spectrometer. The 95% confidence interval for RMS diameters is 5.48 ± 1.76 μm-significantly smaller than both the pixel size (14 μm × 28 μm) and the Airy disc (25.82 μm in diameter, calculated at the wavenumber of 7.548 μm -1 ). Test results demonstrate that the fall-off curve from the k-space spectrometer exhibits much less decay (maximum as -5.20 dB) than the conventional spectrometer (maximum as -16.84 dB) over the whole imaging depth (2.2 mm).

Design of a k-space spectrometer for ultra-broad waveband spectral domain optical coherence tomography

NASA Astrophysics Data System (ADS)

Lan, Gongpu; Li, Guoqiang

2017-03-01

Nonlinear sampling of the interferograms in wavenumber (k) space degrades the depth-dependent signal sensitivity in conventional spectral domain optical coherence tomography (SD-OCT). Here we report a linear-in-wavenumber (k-space) spectrometer for an ultra-broad bandwidth (760 nm-920 nm) SD-OCT, whereby a combination of a grating and a prism serves as the dispersion group. Quantitative ray tracing is applied to optimize the linearity and minimize the optical path differences for the dispersed wavenumbers. Zemax simulation is used to fit the point spread functions to the rectangular shape of the pixels of the line-scan camera and to improve the pixel sampling rates. An experimental SD-OCT is built to test and compare the performance of the k-space spectrometer with that of a conventional one. Design results demonstrate that this k-space spectrometer can reduce the nonlinearity error in k-space from 14.86% to 0.47% (by approximately 30 times) compared to the conventional spectrometer. The 95% confidence interval for RMS diameters is 5.48 ± 1.76 μm—significantly smaller than both the pixel size (14 μm × 28 μm) and the Airy disc (25.82 μm in diameter, calculated at the wavenumber of 7.548 μm-1). Test results demonstrate that the fall-off curve from the k-space spectrometer exhibits much less decay (maximum as -5.20 dB) than the conventional spectrometer (maximum as -16.84 dB) over the whole imaging depth (2.2 mm).

Enhancing the ABAQUS Thermomechanics Code to Simulate Steady and Transient Fuel Rod Behavior

DOE Office of Scientific and Technical Information (OSTI.GOV)

R. L. Williamson; D. A. Knoll

2009-09-01

A powerful multidimensional fuels performance capability, applicable to both steady and transient fuel behavior, is developed based on enhancements to the commercially available ABAQUS general-purpose thermomechanics code. Enhanced capabilities are described, including: UO2 temperature and burnup dependent thermal properties, solid and gaseous fission product swelling, fuel densification, fission gas release, cladding thermal and irradiation creep, cladding irradiation growth , gap heat transfer, and gap/plenum gas behavior during irradiation. The various modeling capabilities are demonstrated using a 2D axisymmetric analysis of the upper section of a simplified multi-pellet fuel rod, during both steady and transient operation. Computational results demonstrate the importancemore » of a multidimensional fully-coupled thermomechanics treatment. Interestingly, many of the inherent deficiencies in existing fuel performance codes (e.g., 1D thermomechanics, loose thermo-mechanical coupling, separate steady and transient analysis, cumbersome pre- and post-processing) are, in fact, ABAQUS strengths.« less

An off Axis Cavity Enhanced Absorption Spectrometer and a Rapid Scan Spectrometer with a Room-Temperature External Cavity Quantum Cascade Laser

NASA Astrophysics Data System (ADS)

Liu, Xunchen; Kang, Cheolhwa; Xu, Yunjie

2009-06-01

Quantum cascade laser (QCL) is a new type of mid-infrared tunable diode lasers with superior output power and mode quality. Recent developments, such as room temperature operation, wide frequency tunability, and narrow line width, make QCLs an ideal light source for high resolution spectroscopy. Two slit jet infrared spectrometers, namely an off-axis cavity enhanced absorption (CEA) spectrometer and a rapid scan spectrometer with an astigmatic multi-pass cell assembly, have been coupled with a newly purchased room temperature tunable mod-hop-free QCL with a frequency coverage from 1592 cm^{-1} to 1698 cm^{-1} and a scan rate of 0.1 cm^{-1}/ms. Our aim is to utilize these two sensitive spectrometers, that are equipped with a molecular jet expansion, to investigate the chiral molecules-(water)_n clusters. To demonstrate the resolution and sensitivity achieved, the rovibrational transitions of the static N_2O gas and the bending rovibrational transitions of the Ar-water complex, a test system, at 1634 cm^{-1} have been measured. D. Hofstetter and J. Faist in High performance quantum cascade lasers and their applications, Vol.89 Springer-Verlag Berlin & Heidelberg, 2003, pp. 61-98. Y. Xu, X. Liu, Z. Su, R. M. Kulkarni, W. S. Tam, C. Kang, I. Leonov and L. D'Agostino, Proc. Spie, 2009, 722208 (1-11). M. J. Weida and D. J. Nesbitt, J. Chem. Phys. 1997, 106, 3078-3089.

Selection of the NIR region for a regression model of the ethanol concentration in fermentation process by an online NIR and mid-IR dual-region spectrometer and 2D heterospectral correlation spectroscopy.

PubMed

Nishii, Takashi; Genkawa, Takuma; Watari, Masahiro; Ozaki, Yukihiro

2012-01-01

A new selection procedure of an informative near-infrared (NIR) region for regression model building is proposed that uses an online NIR/mid-infrared (mid-IR) dual-region spectrometer in conjunction with two-dimensional (2D) NIR/mid-IR heterospectral correlation spectroscopy. In this procedure, both NIR and mid-IR spectra of a liquid sample are acquired sequentially during a reaction process using the NIR/mid-IR dual-region spectrometer; the 2D NIR/mid-IR heterospectral correlation spectrum is subsequently calculated from the obtained spectral data set. From the calculated 2D spectrum, a NIR region is selected that includes bands of high positive correlation intensity with mid-IR bands assigned to the analyte, and used for the construction of a regression model. To evaluate the performance of this procedure, a partial least-squares (PLS) regression model of the ethanol concentration in a fermentation process was constructed. During fermentation, NIR/mid-IR spectra in the 10000 - 1200 cm(-1) region were acquired every 3 min, and a 2D NIR/mid-IR heterospectral correlation spectrum was calculated to investigate the correlation intensity between the NIR and mid-IR bands. NIR regions that include bands at 4343, 4416, 5778, 5904, and 5955 cm(-1), which result from the combinations and overtones of the C-H group of ethanol, were selected for use in the PLS regression models, by taking the correlation intensity of a mid-IR band at 2985 cm(-1) arising from the CH(3) asymmetric stretching vibration mode of ethanol as a reference. The predicted results indicate that the ethanol concentrations calculated from the PLS regression models fit well to those obtained by high-performance liquid chromatography. Thus, it can be concluded that the selection procedure using the NIR/mid-IR dual-region spectrometer combined with 2D NIR/mid-IR heterospectral correlation spectroscopy is a powerful method for the construction of a reliable regression model.

Monitoring mechanistic details in the synthesis of pyrimidines via real-time, ultrafast multidimensional NMR spectroscopy

PubMed Central

Pardo, Zulay D.; Olsen, Greg; Fernández-Valle, María Encarnación; Frydman, Lucio; Martínez-Álvarez, Roberto; Herrera, Antonio

2016-01-01

Recent years have witnessed unprecedented advances in the development of fast multidimensional NMR acquisition techniques. This progress could open valuable new opportunities for the elucidation of chemical and biochemical processes. This study demonstrates one such capability, with the first real-time 2D dynamic analysis of a complex organic reaction relying on unlabeled substrates. Implementing such measurements required the development of new ultrafast 2D methods, capable of monitoring multiple spectral regions of interest as the reaction progressed. The alternate application of these acquisitions in an interleaved, excitation-optimized fashion, allowed us to extract new structural and dynamic insight concerning the reaction between aliphatic ketones and triflic anhydride in the presence of nitriles to yield alkylpyrimidines. Up to 2500 2D NMR data sets were thus collected over the course of this nearly 100 min long reaction, in an approach resembling that used in functional magnetic resonance imaging. With the aid of these new frequency-selective low-gradient-strength experiments, supplemented by chemical shift calculations of the spectral coordinates observed in the 2D heteronuclear correlations, previously postulated intermediates involved in the alkylpyrimidine formation process could be confirmed, and hitherto undetected ones were revealed. The potential and limitations of the resulting methods are discussed. PMID:22283498

Nonlinear dynamics of the 3D FMS and Alfven wave beams propagating in plasma of ionosphere and magnetosphere

NASA Astrophysics Data System (ADS)

Belashov, Vasily

We study the formation, structure, stability and dynamics of the multidimensional soliton-like beam structures forming on the low-frequency branch of oscillation in the ionospheric and magnetospheric plasma for cases when beta=4pinT/B(2) <<1 and beta>1. In first case with the conditions omega>{k_{yz}}(2,) v_{x}$<

Multidimensional Space-Time Methodology for Development of Planetary and Space Sciences, S-T Data Management and S-T Computational Tomography

NASA Astrophysics Data System (ADS)

Andonov, Zdravko

This R&D represent innovative multidimensional 6D-N(6n)D Space-Time (S-T) Methodology, 6D-6nD Coordinate Systems, 6D Equations, new 6D strategy and technology for development of Planetary Space Sciences, S-T Data Management and S-T Computational To-mography. . . The Methodology is actual for brain new RS Microwaves' Satellites and Compu-tational Tomography Systems development, aimed to defense sustainable Earth, Moon, & Sun System evolution. Especially, extremely important are innovations for monitoring and protec-tion of strategic threelateral system H-OH-H2O Hydrogen, Hydroxyl and Water), correspond-ing to RS VHRS (Very High Resolution Systems) of 1.420-1.657-22.089GHz microwaves. . . One of the Greatest Paradox and Challenge of World Science is the "transformation" of J. L. Lagrange 4D Space-Time (S-T) System to H. Minkovski 4D S-T System (O-X,Y,Z,icT) for Einstein's "Theory of Relativity". As a global result: -In contemporary Advanced Space Sciences there is not real adequate 4D-6D Space-Time Coordinate System and 6D Advanced Cosmos Strategy & Methodology for Multidimensional and Multitemporal Space-Time Data Management and Tomography. . . That's one of the top actual S-T Problems. Simple and optimal nD S-T Methodology discovery is extremely important for all Universities' Space Sci-ences' Education Programs, for advances in space research and especially -for all young Space Scientists R&D!... The top ten 21-Century Challenges ahead of Planetary and Space Sciences, Space Data Management and Computational Space Tomography, important for successfully de-velopment of Young Scientist Generations, are following: 1. R&D of W. R. Hamilton General Idea for transformation all Space Sciences to Time Sciences, beginning with 6D Eukonal for 6D anisotropic mediums & velocities. Development of IERS Earth & Space Systems (VLBI; LLR; GPS; SLR; DORIS Etc.) for Planetary-Space Data Management & Computational Planetary & Space Tomography. 2. R&D of S. W. Hawking Paradigm for 2D Complex Time and Quan-tum Wave Cosmology Paradigm for Decision of the Main Problem of Contemporary Physics. 3. R&D of Einstein-Minkowski Geodesies' Paradigm in the 4D-Space-Time Continuum to 6D-6nD Space-Time Continuum Paradigms and 6D S-T Equations. . . 4. R&D of Erwin Schrüdinger 4D S-T Universe' Evolutional Equation; It's David Bohm 4D generalization for anisotropic mediums and innovative 6D -for instantaneously quantum measurement -Bohm-Schrüdinger 6D S-T Universe' Evolutional Equation. 5. R&D of brain new 6D Planning of S-T Experi-ments, brain new 6D Space Technicks and Space Technology Generalizations, especially for 6D RS VHRS Research, Monitoring and 6D Computational Tomography. 6. R&D of "6D Euler-Poisson Equations" and "6D Kolmogorov Turbulence Theory" for GeoDynamics and for Space Dynamics as evolution of Gauss-Riemann Paradigms. 7. R&D of N. Boneff NASA RD for Asteroid "Eros" & Space Science' Laws Evolution. 8. R&D of H. Poincare Paradigm for Nature and Cosmos as 6D Group of Transferences. 9. R&D of K. Popoff N-Body General Problem & General Thermodynamic S-T Theory as Einstein-Prigogine-Landau' Paradigms Development. ü 10. R&D of 1st GUT since 1958 by N. S. Kalitzin (Kalitzin N. S., 1958: Uber eine einheitliche Feldtheorie. ZAHeidelberg-ARI, WZHUmnR-B., 7 (2), 207-215) and "Multitemporal Theory of Relativity" -With special applications to Photon Rockets and all Space-Time R&D. GENERAL CONCLUSION: Multidimensional Space-Time Methodology is advance in space research, corresponding to the IAF-IAA-COSPAR Innovative Strategy and R&D Programs -UNEP, UNDP, GEOSS, GMES, Etc.

High temperature GaAs X-ray detectors

NASA Astrophysics Data System (ADS)

Lioliou, G.; Whitaker, M. D. C.; Barnett, A. M.

2017-12-01

Two GaAs p+-i-n+ mesa X-ray photodiodes were characterized for their electrical and photon counting X-ray spectroscopic performance over the temperature range of 100 °C to -20 °C. The devices had 10 μm thick i layers with different diameters: 200 μm (D1) and 400 μm (D2). The electrical characterization included dark current and capacitance measurements at internal electric field strengths of up to 50 kV/cm. The determined properties of the two devices were compared with previously reported results that were made with a view to informing the future development of photon counting X-ray spectrometers for harsh environments, e.g., X-ray fluorescence spectroscopy of planetary surfaces in high temperature environments. The best energy resolution obtained (Full Width at Half Maximum at 5.9 keV) decreased from 2.00 keV at 100 °C to 0.66 keV at -20 °C for the spectrometer with D1, and from 2.71 keV at 100 °C to 0.71 keV at -20 °C for the spectrometer with D2. Dielectric noise was found to be the dominant source of noise in the spectra, apart from at high temperatures and long shaping times, where the main source of photopeak broadening was found to be the white parallel noise.

Development of achiral and chiral 2D HPLC methods for analysis of albendazole metabolites in microsomal fractions using multivariate analysis for the in vitro metabolism.

PubMed

Belaz, Kátia Roberta A; Pereira-Filho, Edenir Rodrigues; Oliveira, Regina V

2013-08-01

In this work, the development of two multidimensional liquid chromatography methods coupled to a fluorescence detector is described for direct analysis of microsomal fractions obtained from rat livers. The chiral multidimensional method was then applied for the optimization of the in vitro metabolism of albendazole by experimental design. Albendazole was selected as a model drug because of its anthelmintics properties and recent potential for cancer treatment. The development of two fully automated achiral-chiral and chiral-chiral high performance liquid chromatography (HPLC) methods for the determination of albendazole (ABZ) and its metabolites albendazole sulphoxide (ABZ-SO), albendazole sulphone (ABZ-SO2) and albendazole 2-aminosulphone (ABZ-SO2NH2) in microsomal fractions are described. These methods involve the use of a phenyl (RAM-phenyl-BSA) or octyl (RAM-C8-BSA) restricted access media bovine serum albumin column for the sample clean-up, followed by an achiral phenyl column (15.0×0.46cmI.D.) or a chiral amylose tris(3,5-dimethylphenylcarbamate) column (15.0×0.46cmI.D.). The chiral 2D HPLC method was applied to the development of a compromise condition for the in vitro metabolism of ABZ by means of experimental design involving multivariate analysis. Copyright © 2013 Elsevier B.V. All rights reserved.

Visualizing Mixed Variable-Type Multidimensional Data Using Tree Distances

DTIC Science & Technology

2015-09-01

24 1. The Regression Method .................................................. 25 2. Maximum Deviance Ratio Method... Deviance Change as a Factor of the Amount of Correlation? ................................................... 50 B. A PROPOSED SOLUTION...Splice mapping using d1 ...................... 36 Figure 18. Reduction in 2R analog ( deviance ratio-DevRat) per variable for the Splice data

Innovative Application of a Multidimensional Item Response Model in Assessing the Influence of Social Desirability on the Pseudo-Relationship between Self-Efficacy and Behavior

ERIC Educational Resources Information Center

Watson, Kathy; Baranowski, Tom; Thompson, Debbe; Jago, Russell; Baranowski, Janice; Klesges, Lisa M.

2006-01-01

This study examined multidimensional item response theory (MIRT) modeling to assess social desirability (SocD) influences on self-reported physical activity self-efficacy (PASE) and fruit and vegetable self-efficacy (FVSE). The observed sample included 473 Houston-area adolescent males (10-14 years). SocD (nine items), PASE (19 items) and FVSE (21…

X-ray and extreme ultraviolet spectroscopy on DIII-D

DOE Office of Scientific and Technical Information (OSTI.GOV)

Victor, Brian S.; Allen, Steve L.; Beiersdorfer, P.

Two spectrometers were installed to measure tungsten emission in the core of DIII-D plasmas during a metal rings experimental campaign. The spectral range of the high-resolution (1340 spectral channels), variable-ruled grating X-ray and Extreme Ultraviolet Spectrometer (XEUS) extends from10–71more » $$\\dot{A}$$ . The spectral range of the second spectrometer, the Long-Wavelength Extreme Ultraviolet Spectrometer (LoWEUS), measures between 31–174$$\\dot{A}$$ . Three groups of tungsten lines were identified with XEUS: W 38+-W 45+ from 47–63$$\\dot{A}$$ , W 27+-W 35+ from 45–55$$\\dot{A}$$ , and W 28+-W 33+ from 16–30$$\\dot{A}$$ . Emission lines from tungsten charge states W 28+, W 43+, W 44+, and W 45+ are identified and the line amplitude is presented versus time. Peak emission of W 43+-W 45+ occurs between core Te=2.5-3 keV, and peak emission of W28+ occurs at core Te 1:3 keV. One group of tungsten lines, W 40+-W 45+, between 120–140$$\\dot{A}$$ , was identified with LoWEUS. W 43+- W 45+ lines measured with LoWEUS track the sawtooth cycle. Furthermore, sensitivity to the sawtooth cycle and the correlation of the peak emission with core electron temperature show that these spectrometers track the on-axis tungsten emission of DIII-D plasmas.« less

X-ray and extreme ultraviolet spectroscopy on DIII-D

DOE PAGES

Victor, Brian S.; Allen, Steve L.; Beiersdorfer, P.; ...

2017-06-14

Two spectrometers were installed to measure tungsten emission in the core of DIII-D plasmas during a metal rings experimental campaign. The spectral range of the high-resolution (1340 spectral channels), variable-ruled grating X-ray and Extreme Ultraviolet Spectrometer (XEUS) extends from10–71more » $$\\dot{A}$$ . The spectral range of the second spectrometer, the Long-Wavelength Extreme Ultraviolet Spectrometer (LoWEUS), measures between 31–174$$\\dot{A}$$ . Three groups of tungsten lines were identified with XEUS: W 38+-W 45+ from 47–63$$\\dot{A}$$ , W 27+-W 35+ from 45–55$$\\dot{A}$$ , and W 28+-W 33+ from 16–30$$\\dot{A}$$ . Emission lines from tungsten charge states W 28+, W 43+, W 44+, and W 45+ are identified and the line amplitude is presented versus time. Peak emission of W 43+-W 45+ occurs between core Te=2.5-3 keV, and peak emission of W28+ occurs at core Te 1:3 keV. One group of tungsten lines, W 40+-W 45+, between 120–140$$\\dot{A}$$ , was identified with LoWEUS. W 43+- W 45+ lines measured with LoWEUS track the sawtooth cycle. Furthermore, sensitivity to the sawtooth cycle and the correlation of the peak emission with core electron temperature show that these spectrometers track the on-axis tungsten emission of DIII-D plasmas.« less

Astigmatism correction of a non-imaging double spectrometer fitted with a 2D array detector

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yaney, P.P.; Ernst, S.L.; Blackshire, J.

1992-12-01

A SPEX 1401 double spectrometer was adapted for a liquid nitrogen cooled CCD detector to permit both spectral and spatial analysis of ceramic specimens in a laser Raman microprobe system. The exit image of the spectrometer suffers from astigmatism due to off-axis spherical mirrors. A cylindrical lens was added before the CCD to correct for the astigmatism. The spectrometer and several lenses were modeled using an optical ray tracing program to characterize the astigmatism and to optimize the locations of the lens and the detector. The astigmatism and the spot pattern sizes determined by the model were in good agreementmore » with he observed performance of the modified spectrometer-detector system. Typical spot patterns fell within the 23 {mu}m square pixel size.« less

A multi scale multi-dimensional thermo electrochemical modelling of high capacity lithium-ion cells

NASA Astrophysics Data System (ADS)

Tourani, Abbas; White, Peter; Ivey, Paul

2014-06-01

Lithium iron phosphate (LFP) and lithium manganese oxide (LMO) are competitive and complementary to each other as cathode materials for lithium-ion batteries, especially for use in electric vehicles. A multi scale multi-dimensional physic-based model is proposed in this paper to study the thermal behaviour of the two lithium-ion chemistries. The model consists of two sub models, a one dimensional (1D) electrochemical sub model and a two dimensional (2D) thermo-electric sub model, which are coupled and solved concurrently. The 1D model predicts the heat generation rate (Qh) and voltage (V) of the battery cell through different load cycles. The 2D model of the battery cell accounts for temperature distribution and current distribution across the surface of the battery cell. The two cells are examined experimentally through 90 h load cycles including high/low charge/discharge rates. The experimental results are compared with the model results and they are in good agreement. The presented results in this paper verify the cells temperature behaviour at different operating conditions which will lead to the design of a cost effective thermal management system for the battery pack.

Extended wavelength anisotropy resolved multidimensional emission spectroscopy (ARMES) measurements: better filters, validation standards, and Rayleigh scatter removal methods

NASA Astrophysics Data System (ADS)

Casamayou-Boucau, Yannick; Ryder, Alan G.

2017-09-01

Anisotropy resolved multidimensional emission spectroscopy (ARMES) provides valuable insights into multi-fluorophore proteins (Groza et al 2015 Anal. Chim. Acta 886 133-42). Fluorescence anisotropy adds to the multidimensional fluorescence dataset information about the physical size of the fluorophores and/or the rigidity of the surrounding micro-environment. The first ARMES studies used standard thin film polarizers (TFP) that had negligible transmission between 250 and 290 nm, preventing accurate measurement of intrinsic protein fluorescence from tyrosine and tryptophan. Replacing TFP with pairs of broadband wire grid polarizers enabled standard fluorescence spectrometers to accurately measure anisotropies between 250 and 300 nm, which was validated with solutions of perylene in the UV and Erythrosin B and Phloxine B in the visible. In all cases, anisotropies were accurate to better than ±1% when compared to literature measurements made with Glan Thompson or TFP polarizers. Better dual wire grid polarizer UV transmittance and the use of excitation-emission matrix measurements for ARMES required complete Rayleigh scatter elimination. This was achieved by chemometric modelling rather than classical interpolation, which enabled the acquisition of pure anisotropy patterns over wider spectral ranges. In combination, these three improvements permit the accurate implementation of ARMES for studying intrinsic protein fluorescence.

Observation and explanation of two-dimensional interconversion of oximes with multiple heart-cutting using comprehensive multidimensional gas chromatography.

PubMed

Kulsing, Chadin; Nolvachai, Yada; Wong, Yong Foo; Glouzman, Melissa I; Marriott, Philip J

2018-04-20

Real-time interconversion processes produce unconventional peak broadening in gas chromatography (GC), and can be used to generate kinetic and thermodynamic data. In this study, an unusual separation situation in comprehensive two dimensional GC where two dimensional interconversion (i.e. a raised plateau in both first and second dimension, 1 D and 2 D) was observed in analysis of oxime isomers. This resulted in a characteristic and unusual rectangular peak shape in the two dimensional result. A related theoretical approach was introduced to explain the peak shape supported by simulation results which can be varied depending on concentration profiles and kinetics of the process. The simulated results were supported by experimental results obtained by a comprehensive heart-cut multidimensional GC (H/C MDGC) approach which was developed to clearly investigate isomerisation of E/Z oxime molecules in both 1 D and 2 D separations under different isothermal conditions. The carrier gas flow and oven temperature were selected according to initial results for 1D interconversion on a poly(ethyleneglycol) stationary phase, which was further used in both 1 D and 2 D separations to result in broad zones of oxime interconversion in both dimensions. The method involved repetitive injections of oxime sample, then sampling contiguous fractions of sample into a long 2 D column which is intended to promote considerable interconversion. Comprehensiveness arises from the fact that the whole sample is sampled from the 1 D to the 2 D column, with the long 2 D column replacing the short 2 D column used in classical comprehensive two-dimensional gas chromatography, where the latter will not promote sufficient interconversion. Data processing and presentation permits a 'rectangular' distribution corresponding to the separated compounds, characteristic of this experiment. Copyright © 2018 Elsevier B.V. All rights reserved.

Design of a k-space spectrometer for ultra-broad waveband spectral domain optical coherence tomography

PubMed Central

Lan, Gongpu; Li, Guoqiang

2017-01-01

Nonlinear sampling of the interferograms in wavenumber (k) space degrades the depth-dependent signal sensitivity in conventional spectral domain optical coherence tomography (SD-OCT). Here we report a linear-in-wavenumber (k-space) spectrometer for an ultra-broad bandwidth (760 nm–920 nm) SD-OCT, whereby a combination of a grating and a prism serves as the dispersion group. Quantitative ray tracing is applied to optimize the linearity and minimize the optical path differences for the dispersed wavenumbers. Zemax simulation is used to fit the point spread functions to the rectangular shape of the pixels of the line-scan camera and to improve the pixel sampling rates. An experimental SD-OCT is built to test and compare the performance of the k-space spectrometer with that of a conventional one. Design results demonstrate that this k-space spectrometer can reduce the nonlinearity error in k-space from 14.86% to 0.47% (by approximately 30 times) compared to the conventional spectrometer. The 95% confidence interval for RMS diameters is 5.48 ± 1.76 μm—significantly smaller than both the pixel size (14 μm × 28 μm) and the Airy disc (25.82 μm in diameter, calculated at the wavenumber of 7.548 μm−1). Test results demonstrate that the fall-off curve from the k-space spectrometer exhibits much less decay (maximum as −5.20 dB) than the conventional spectrometer (maximum as –16.84 dB) over the whole imaging depth (2.2 mm). PMID:28266502

Automated clean-up, separation and detection of polycyclic aromatic hydrocarbons in particulate matter extracts from urban dust and diesel standard reference materials using a 2D-LC/2D-GC system.

PubMed

Ahmed, Trifa M; Lim, Hwanmi; Bergvall, Christoffer; Westerholm, Roger

2013-10-01

A multidimensional, on-line coupled liquid chromatographic/gas chromatographic system was developed for the quantification of polycyclic aromatic hydrocarbons (PAHs). A two-dimensional liquid chromatographic system (2D-liquid chromatography (LC)), with three columns having different selectivities, was connected on-line to a two-dimensional gas chromatographic system (2D-gas chromatography (GC)). Samples were cleaned up by combining normal elution and column back-flush of the LC columns to selectively remove matrix constituents and isolate well-defined, PAH enriched fractions. Using this system, the sequential removal of polar, mono/diaromatic, olefinic and alkane compounds from crude extracts was achieved. The LC/GC coupling was performed using a fused silica transfer line into a programmable temperature vaporizer (PTV) GC injector. Using the PTV in the solvent vent mode, excess solvent was removed and the enriched PAH sample extract was injected into the GC. The 2D-GC setup consisted of two capillary columns with different stationary phase selectivities. Heart-cutting of selected PAH compounds in the first GC column (first dimension) and transfer of these to the second GC column (second dimension) increased the baseline resolutions of closely eluting PAHs. The on-line system was validated using the standard reference materials SRM 1649a (urban dust) and SRM 1975 (diesel particulate extract). The PAH concentrations measured were comparable to the certified values and the fully automated LC/GC system performed the clean-up, separation and detection of PAHs in 16 extracts in less than 24 h. The multidimensional, on-line 2D-LC/2D-GC system eliminated manual handling of the sample extracts and minimised the risk of sample loss and contamination, while increasing accuracy and precision.

Multi-purpose two- and three-dimensional momentum imaging of charged particles for attosecond experiments at 1 kHz repetition rate

DOE Office of Scientific and Technical Information (OSTI.GOV)

Månsson, Erik P., E-mail: erik.mansson@sljus.lu.se; Sorensen, Stacey L.; Gisselbrecht, Mathieu

2014-12-15

We report on the versatile design and operation of a two-sided spectrometer for the imaging of charged-particle momenta in two dimensions (2D) and three dimensions (3D). The benefits of 3D detection are to discern particles of different mass and to study correlations between fragments from multi-ionization processes, while 2D detectors are more efficient for single-ionization applications. Combining these detector types in one instrument allows us to detect positive and negative particles simultaneously and to reduce acquisition times by using the 2D detector at a higher ionization rate when the third dimension is not required. The combined access to electronic andmore » nuclear dynamics available when both sides are used together is important for studying photoreactions in samples of increasing complexity. The possibilities and limitations of 3D momentum imaging of electrons or ions in the same spectrometer geometry are investigated analytically and three different modes of operation demonstrated experimentally, with infrared or extreme ultraviolet light and an atomic/molecular beam.« less

A high-resolution imaging x-ray crystal spectrometer for high energy density plasmas

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chen, Hui, E-mail: chen33@llnl.gov, E-mail: bitter@pppl.gov; Magee, E.; Nagel, S. R.

2014-11-15

Adapting a concept developed for magnetic confinement fusion experiments, an imaging crystal spectrometer has been designed and tested for HED plasmas. The instrument uses a spherically bent quartz [211] crystal with radius of curvature of 490.8 mm. The instrument was tested at the Titan laser at Lawrence Livermore National Laboratory by irradiating titanium slabs with laser intensities of 10{sup 19}–10{sup 20} W/cm{sup 2}. He-like and Li-like Ti lines were recorded, from which the spectrometer performance was evaluated. This spectrometer provides very high spectral resolving power (E/dE > 7000) while acquiring a one-dimensional image of the source.

High resolution 4-D spectroscopy with sparse concentric shell sampling and FFT-CLEAN.

PubMed

Coggins, Brian E; Zhou, Pei

2008-12-01

Recent efforts to reduce the measurement time for multidimensional NMR experiments have fostered the development of a variety of new procedures for sampling and data processing. We recently described concentric ring sampling for 3-D NMR experiments, which is superior to radial sampling as input for processing by a multidimensional discrete Fourier transform. Here, we report the extension of this approach to 4-D spectroscopy as Randomized Concentric Shell Sampling (RCSS), where sampling points for the indirect dimensions are positioned on concentric shells, and where random rotations in the angular space are used to avoid coherent artifacts. With simulations, we show that RCSS produces a very low level of artifacts, even with a very limited number of sampling points. The RCSS sampling patterns can be adapted to fine rectangular grids to permit use of the Fast Fourier Transform in data processing, without an apparent increase in the artifact level. These artifacts can be further reduced to the noise level using the iterative CLEAN algorithm developed in radioastronomy. We demonstrate these methods on the high resolution 4-D HCCH-TOCSY spectrum of protein G's B1 domain, using only 1.2% of the sampling that would be needed conventionally for this resolution. The use of a multidimensional FFT instead of the slow DFT for initial data processing and for subsequent CLEAN significantly reduces the calculation time, yielding an artifact level that is on par with the level of the true spectral noise.

High Resolution 4-D Spectroscopy with Sparse Concentric Shell Sampling and FFT-CLEAN

PubMed Central

Coggins, Brian E.; Zhou, Pei

2009-01-01

SUMMARY Recent efforts to reduce the measurement time for multidimensional NMR experiments have fostered the development of a variety of new procedures for sampling and data processing. We recently described concentric ring sampling for 3-D NMR experiments, which is superior to radial sampling as input for processing by a multidimensional discrete Fourier transform. Here, we report the extension of this approach to 4-D spectroscopy as Randomized Concentric Shell Sampling (RCSS), where sampling points for the indirect dimensions are positioned on concentric shells, and where random rotations in the angular space are used to avoid coherent artifacts. With simulations, we show that RCSS produces a very low level of artifacts, even with a very limited number of sampling points. The RCSS sampling patterns can be adapted to fine rectangular grids to permit use of the Fast Fourier Transform in data processing, without an apparent increase in the artifact level. These artifacts can be further reduced to the noise level using the iterative CLEAN algorithm developed in radioastronomy. We demonstrate these methods on the high resolution 4-D HCCH-TOCSY spectrum of protein G's B1 domain, using only 1.2% of the sampling that would be needed conventionally for this resolution. The use of a multidimensional FFT instead of the slow DFT for initial data processing and for subsequent CLEAN significantly reduces the calculation time, yielding an artifact level that is on par with the level of the true spectral noise. PMID:18853260

Ionospheric research

NASA Technical Reports Server (NTRS)

1975-01-01

Data from research on ionospheric D, E, and F, regions are reported. Wave propagation, mass spectrometer measurements, and atmospheric reactions of HO2 with NO and NO2 and NH2 with NO and O2 are summarized.

Joint Oil Analysis Program Spectrometer Standards SCP Science (Conostan) Qualification Report for D19-0, D3-100, and D12-XXX Series Standards

DTIC Science & Technology

2015-05-20

Joint Oil Analysis Program Spectrometer Standards SCP Science (Conostan) Qualification Report For D19-0, D3-100, and D12- XXX Series Standards NF...Candidate Type D19-0 ICP-AES Results ..................................................................... 4 Table V. Candidate Type D12- XXX ...Physical Property Results .................................................. 5 Table VI. Candidate Type D12- XXX Rotrode-AES Results

Lineshape analysis of coherent multidimensional optical spectroscopy using incoherent light

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ulness, Darin J.; Turner, Daniel B., E-mail: dturner@nyu.edu

2015-06-07

Coherent two-dimensional electronic spectroscopy using incoherent (noisy) light, I{sup (4)} 2D ES, holds intriguing challenges and opportunities. One challenge is to determine how I{sup (4)} 2D ES compares to femtosecond 2D ES. Here, we merge the sophisticated energy-gap Hamiltonian formalism that is often used to model femtosecond 2D ES with the factorized time-correlation formalism that is needed to describe I{sup (4)} 2D ES. The analysis reveals that in certain cases the energy-gap Hamiltonian is insufficient to model the spectroscopic technique correctly. The results using a modified energy-gap Hamiltonian show that I{sup (4)} 2D ES can reveal detailed lineshape information, but,more » contrary to prior reports, does not reveal dynamics during the waiting time.« less

Coherent multi-dimensional spectroscopy at optical frequencies in a single beam with optical readout

NASA Astrophysics Data System (ADS)

Seiler, Hélène; Palato, Samuel; Kambhampati, Patanjali

2017-09-01

Ultrafast coherent multi-dimensional spectroscopies form a powerful set of techniques to unravel complex processes, ranging from light-harvesting, chemical exchange in biological systems to many-body interactions in quantum-confined materials. Yet these spectroscopies remain complex to implement at the high frequencies of vibrational and electronic transitions, thereby limiting their widespread use. Here we demonstrate the feasibility of two-dimensional spectroscopy at optical frequencies in a single beam. Femtosecond optical pulses are spectrally broadened to a relevant bandwidth and subsequently shaped into phase coherent pulse trains. By suitably modulating the phases of the pulses within the beam, we show that it is possible to directly read out the relevant optical signals. This work shows that one needs neither complex beam geometries nor complex detection schemes in order to measure two-dimensional spectra at optical frequencies. Our setup provides not only a simplified experimental design over standard two-dimensional spectrometers but its optical readout also enables novel applications in microscopy.

157 nm Photodissociation of Dipeptide Ions Containing N-Terminal Arginine

NASA Astrophysics Data System (ADS)

Webber, Nathaniel; He, Yi; Reilly, James P.

2014-02-01

Twenty singly-charged dipeptide ions with N-terminal arginine were photodissociated using 157 nm light in both a linear ion-trap mass spectrometer and a MALDI-TOF-TOF mass spectrometer. Analogous to previous work on dipeptides containing C-terminal arginine, this set of samples enabled insights into the photofragmentation propensities associated with individual residues. In addition to familiar products such as a-, d-, and immonium ions, m2 and m2+13 ions were also observed. Certain side chains tended to cleave between their β and γ carbons without necessarily forming d- or w-type ions, and a few other ions were produced by the high-energy fragmentation of multiple bonds.

A system of three-dimensional complex variables

NASA Technical Reports Server (NTRS)

Martin, E. Dale

1986-01-01

Some results of a new theory of multidimensional complex variables are reported, including analytic functions of a three-dimensional (3-D) complex variable. Three-dimensional complex numbers are defined, including vector properties and rules of multiplication. The necessary conditions for a function of a 3-D variable to be analytic are given and shown to be analogous to the 2-D Cauchy-Riemann equations. A simple example also demonstrates the analogy between the newly defined 3-D complex velocity and 3-D complex potential and the corresponding ordinary complex velocity and complex potential in two dimensions.

Revisiting the Fundamental Analytical Solutions of Heat and Mass Transfer: The Kernel of Multirate and Multidimensional Diffusion

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhou, Quanlin; Oldenburg, Curtis M.; Rutqvist, Jonny

There are two types of analytical solutions of temperature/concentration in and heat/mass transfer through boundaries of regularly shaped 1D, 2D, and 3D blocks. These infinite-series solutions with either error functions or exponentials exhibit highly irregular but complementary convergence at different dimensionless times, t d0. In this paper, approximate solutions were developed by combining the error-function-series solutions for early times and the exponential-series solutions for late times and by using time partitioning at the switchover time, t d0. The combined solutions contain either the leading term of both series for normal-accuracy approximations (with less than 0.003 relative error) or the firstmore » two terms for high-accuracy approximations (with less than 10-7 relative error) for 1D isotropic (spheres, cylinders, slabs) and 2D/3D rectangular blocks (squares, cubes, rectangles, and rectangular parallelepipeds). This rapid and uniform convergence for rectangular blocks was achieved by employing the same time partitioning with individual dimensionless times for different directions and the product of their combined 1D slab solutions. The switchover dimensionless time was determined to minimize the maximum approximation errors. Furthermore, the analytical solutions of first-order heat/mass flux for 2D/3D rectangular blocks were derived for normal-accuracy approximations. These flux equations contain the early-time solution with a three-term polynomial in √td and the late-time solution with the limited-term exponentials for rectangular blocks. The heat/mass flux equations and the combined temperature/concentration solutions form the ultimate kernel for fast simulations of multirate and multidimensional heat/mass transfer in porous/fractured media with millions of low-permeability blocks of varying shapes and sizes.« less

Revisiting the Fundamental Analytical Solutions of Heat and Mass Transfer: The Kernel of Multirate and Multidimensional Diffusion

DOE PAGES

Zhou, Quanlin; Oldenburg, Curtis M.; Rutqvist, Jonny; ...

2017-10-24

There are two types of analytical solutions of temperature/concentration in and heat/mass transfer through boundaries of regularly shaped 1D, 2D, and 3D blocks. These infinite-series solutions with either error functions or exponentials exhibit highly irregular but complementary convergence at different dimensionless times, t d0. In this paper, approximate solutions were developed by combining the error-function-series solutions for early times and the exponential-series solutions for late times and by using time partitioning at the switchover time, t d0. The combined solutions contain either the leading term of both series for normal-accuracy approximations (with less than 0.003 relative error) or the firstmore » two terms for high-accuracy approximations (with less than 10-7 relative error) for 1D isotropic (spheres, cylinders, slabs) and 2D/3D rectangular blocks (squares, cubes, rectangles, and rectangular parallelepipeds). This rapid and uniform convergence for rectangular blocks was achieved by employing the same time partitioning with individual dimensionless times for different directions and the product of their combined 1D slab solutions. The switchover dimensionless time was determined to minimize the maximum approximation errors. Furthermore, the analytical solutions of first-order heat/mass flux for 2D/3D rectangular blocks were derived for normal-accuracy approximations. These flux equations contain the early-time solution with a three-term polynomial in √td and the late-time solution with the limited-term exponentials for rectangular blocks. The heat/mass flux equations and the combined temperature/concentration solutions form the ultimate kernel for fast simulations of multirate and multidimensional heat/mass transfer in porous/fractured media with millions of low-permeability blocks of varying shapes and sizes.« less

Computed tomography imaging spectrometer (CTIS) with 2D reflective grating for ultraviolet to long-wave infrared detection especially useful for surveying transient events

NASA Technical Reports Server (NTRS)

Muller, Richard E. (Inventor); Mouroulis, Pantazis Z. (Inventor); Maker, Paul D. (Inventor); Wilson, Daniel W. (Inventor)

2003-01-01

The optical system of this invention is an unique type of imaging spectrometer, i.e. an instrument that can determine the spectra of all points in a two-dimensional scene. The general type of imaging spectrometer under which this invention falls has been termed a computed-tomography imaging spectrometer (CTIS). CTIS's have the ability to perform spectral imaging of scenes containing rapidly moving objects or evolving features, hereafter referred to as transient scenes. This invention, a reflective CTIS with an unique two-dimensional reflective grating, can operate in any wavelength band from the ultraviolet through long-wave infrared. Although this spectrometer is especially useful for rapidly occurring events it is also useful for investigation of some slow moving phenomena as in the life sciences.

Multi-dimensional Core-Collapse Supernova Simulations with Neutrino Transport

NASA Astrophysics Data System (ADS)

Pan, Kuo-Chuan; Liebendörfer, Matthias; Hempel, Matthias; Thielemann, Friedrich-Karl

We present multi-dimensional core-collapse supernova simulations using the Isotropic Diffusion Source Approximation (IDSA) for the neutrino transport and a modified potential for general relativity in two different supernova codes: FLASH and ELEPHANT. Due to the complexity of the core-collapse supernova explosion mechanism, simulations require not only high-performance computers and the exploitation of GPUs, but also sophisticated approximations to capture the essential microphysics. We demonstrate that the IDSA is an elegant and efficient neutrino radiation transfer scheme, which is portable to multiple hydrodynamics codes and fast enough to investigate long-term evolutions in two and three dimensions. Simulations with a 40 solar mass progenitor are presented in both FLASH (1D and 2D) and ELEPHANT (3D) as an extreme test condition. It is found that the black hole formation time is delayed in multiple dimensions and we argue that the strong standing accretion shock instability before black hole formation will lead to strong gravitational waves.

Laser based water equilibration method for d18O determination of water samples

NASA Astrophysics Data System (ADS)

Mandic, Magda; Smajgl, Danijela; Stoebener, Nils

2017-04-01

Determination of d18O with water equilibration method using mass spectrometers equipped with equilibration unit or Gas Bench is known already for many years. Now, with development of laser spectrometers this extends methods and possibilities to apply different technologies in laboratory but also in the field. The Thermo Scientific™ Delta Ray™ Isotope Ratio Infrared Spectrometer (IRIS) analyzer with the Universal Reference Interface (URI) Connect and Teledyne Cetac ASX-7100 offers high precision and throughput of samples. It employs optical spectroscopy for continuous measurement of isotope ratio values and concentration of carbon dioxide in ambient air, and also for analysis of discrete samples from vials, syringes, bags, or other user-provided sample containers. Test measurements and conformation of precision and accuracy of method determination d18O in water samples were done in Thermo Fisher application laboratory with three lab standards, namely ANST, Ocean II and HBW. All laboratory standards were previously calibrated with international reference material VSMOW2 and SLAP2 to assure accuracy of the isotopic values of the water. With method that we present in this work achieved repeatability and accuracy are 0.16‰ and 0.71‰, respectively, which fulfill requirements of regulatory method for wine and must after equilibration with CO2.

Enhancing the ABAQUS thermomechanics code to simulate multipellet steady and transient LWR fuel rod behavior

DOE Office of Scientific and Technical Information (OSTI.GOV)

R. L. Williamson

A powerful multidimensional fuels performance analysis capability, applicable to both steady and transient fuel behavior, is developed based on enhancements to the commercially available ABAQUS general-purpose thermomechanics code. Enhanced capabilities are described, including: UO2 temperature and burnup dependent thermal properties, solid and gaseous fission product swelling, fuel densification, fission gas release, cladding thermal and irradiation creep, cladding irradiation growth, gap heat transfer, and gap/plenum gas behavior during irradiation. This new capability is demonstrated using a 2D axisymmetric analysis of the upper section of a simplified multipellet fuel rod, during both steady and transient operation. Comparisons are made between discrete andmore » smeared-pellet simulations. Computational results demonstrate the importance of a multidimensional, multipellet, fully-coupled thermomechanical approach. Interestingly, many of the inherent deficiencies in existing fuel performance codes (e.g., 1D thermomechanics, loose thermomechanical coupling, separate steady and transient analysis, cumbersome pre- and post-processing) are, in fact, ABAQUS strengths.« less

Pulmonary tumor measurements from x-ray computed tomography in one, two, and three dimensions.

PubMed

Villemaire, Lauren; Owrangi, Amir M; Etemad-Rezai, Roya; Wilson, Laura; O'Riordan, Elaine; Keller, Harry; Driscoll, Brandon; Bauman, Glenn; Fenster, Aaron; Parraga, Grace

2011-11-01

We evaluated the accuracy and reproducibility of three-dimensional (3D) measurements of lung phantoms and patient tumors from x-ray computed tomography (CT) and compared these to one-dimensional (1D) and two-dimensional (2D) measurements. CT images of three spherical and three irregularly shaped tumor phantoms were evaluated by three observers who performed five repeated measurements. Additionally, three observers manually segmented 29 patient lung tumors five times each. Follow-up imaging was performed for 23 tumors and response criteria were compared. For a single subject, imaging was performed on nine occasions over 2 years to evaluate multidimensional tumor response. To evaluate measurement accuracy, we compared imaging measurements to ground truth using analysis of variance. For estimates of precision, intraobserver and interobserver coefficients of variation and intraclass correlations (ICC) were used. Linear regression and Pearson correlations were used to evaluate agreement and tumor response was descriptively compared. For spherical shaped phantoms, all measurements were highly accurate, but for irregularly shaped phantoms, only 3D measurements were in high agreement with ground truth measurements. All phantom and patient measurements showed high intra- and interobserver reproducibility (ICC >0.900). Over a 2-year period for a single patient, there was disagreement between tumor response classifications based on 3D measurements and those generated using 1D and 2D measurements. Tumor volume measurements were highly reproducible and accurate for irregular, spherical phantoms and patient tumors with nonuniform dimensions. Response classifications obtained from multidimensional measurements suggest that 3D measurements provide higher sensitivity to tumor response. Copyright © 2011 AUR. Published by Elsevier Inc. All rights reserved.

Compact multichannel MEMS based spectrometer for FBG sensing

NASA Astrophysics Data System (ADS)

Ganziy, D.; Rose, B.; Bang, O.

2017-04-01

We propose a novel type of compact multichannel MEMS based spectrometer, where we replace the linear detector with a Digital Micromirror Device (DMD). The DMD is typically cheaper and has better pixel sampling than an InGaAs detector used in the 1550 nm range, which leads to cost reduction and better performance. Moreover, the DMD is a 2D array, which means that multichannel systems can be implemented without any additional optical components in the spectrometer. This makes the proposed interrogator highly cost-effective. The digital nature of the DMD also provides opportunities for advanced programmable spectroscopy.

Diagnostic Tools for Plasma Wind Tunnels and Reentry Vehicles at the IRS

DTIC Science & Technology

2000-04-01

activ n e pronte . pwindkanal", Dissertation, Universittit Stuttgart, 1998. A mass spectrometer probe can be used with low [A.9] Auweter-Kurtz, M., Laure...obtained ffrom experiments at a plasma state with a mass flowFig. B2.28: RtooOISobandfrom dintensities in a 3D -view rate of 2 g/s air and an ambient...spectrometer work is based on the estimations either in solid food stuffs or organic chopped-light (AC) principle which is illustrated in materials ( e.g

Enhanced Vibrational Echo Correlation Spectrometer for the Study of Molecular Dynamics, Structures, and Analytical Applications

DTIC Science & Technology

2006-09-10

ultrafast IR 2D vibrational echo spectrometer. The major improvement involved a new dual MCT array detector composed of two 32 x 1 element MCT IR... detector arrays. The dual array makes it possible to improve signal- to- noise ratio in the heterodyne detection of the vibrational echo signal. To...are dispersed in a monochromator and then detected with the new 2x32-element MCT IR array detector . As discussed above, the function of the local

Reducing seed dependent variability of non-uniformly sampled multidimensional NMR data

NASA Astrophysics Data System (ADS)

Mobli, Mehdi

2015-07-01

The application of NMR spectroscopy to study the structure, dynamics and function of macromolecules requires the acquisition of several multidimensional spectra. The one-dimensional NMR time-response from the spectrometer is extended to additional dimensions by introducing incremented delays in the experiment that cause oscillation of the signal along "indirect" dimensions. For a given dimension the delay is incremented at twice the rate of the maximum frequency (Nyquist rate). To achieve high-resolution requires acquisition of long data records sampled at the Nyquist rate. This is typically a prohibitive step due to time constraints, resulting in sub-optimal data records to the detriment of subsequent analyses. The multidimensional NMR spectrum itself is typically sparse, and it has been shown that in such cases it is possible to use non-Fourier methods to reconstruct a high-resolution multidimensional spectrum from a random subset of non-uniformly sampled (NUS) data. For a given acquisition time, NUS has the potential to improve the sensitivity and resolution of a multidimensional spectrum, compared to traditional uniform sampling. The improvements in sensitivity and/or resolution achieved by NUS are heavily dependent on the distribution of points in the random subset acquired. Typically, random points are selected from a probability density function (PDF) weighted according to the NMR signal envelope. In extreme cases as little as 1% of the data is subsampled. The heavy under-sampling can result in poor reproducibility, i.e. when two experiments are carried out where the same number of random samples is selected from the same PDF but using different random seeds. Here, a jittered sampling approach is introduced that is shown to improve random seed dependent reproducibility of multidimensional spectra generated from NUS data, compared to commonly applied NUS methods. It is shown that this is achieved due to the low variability of the inherent sensitivity of the random subset chosen from a given PDF. Finally, it is demonstrated that metrics used to find optimal NUS distributions are heavily dependent on the inherent sensitivity of the random subset, and such optimisation is therefore less critical when using the proposed sampling scheme.

Ultrafast structural molecular dynamics investigated with 2D infrared spectroscopy methods.

PubMed

Kraack, Jan Philip

2017-10-25

Ultrafast, multi-dimensional infrared (IR) spectroscopy has been advanced in recent years to a versatile analytical tool with a broad range of applications to elucidate molecular structure on ultrafast timescales, and it can be used for samples in a many different environments. Following a short and general introduction on the benefits of 2D IR spectroscopy, the first part of this chapter contains a brief discussion on basic descriptions and conceptual considerations of 2D IR spectroscopy. Outstanding classical applications of 2D IR are used afterwards to highlight the strengths and basic applicability of the method. This includes the identification of vibrational coupling in molecules, characterization of spectral diffusion dynamics, chemical exchange of chemical bond formation and breaking, as well as dynamics of intra- and intermolecular energy transfer for molecules in bulk solution and thin films. In the second part, several important, recently developed variants and new applications of 2D IR spectroscopy are introduced. These methods focus on (i) applications to molecules under two- and three-dimensional confinement, (ii) the combination of 2D IR with electrochemistry, (iii) ultrafast 2D IR in conjunction with diffraction-limited microscopy, (iv) several variants of non-equilibrium 2D IR spectroscopy such as transient 2D IR and 3D IR, and (v) extensions of the pump and probe spectral regions for multi-dimensional vibrational spectroscopy towards mixed vibrational-electronic spectroscopies. In light of these examples, the important open scientific and conceptual questions with regard to intra- and intermolecular dynamics are highlighted. Such questions can be tackled with the existing arsenal of experimental variants of 2D IR spectroscopy to promote the understanding of fundamentally new aspects in chemistry, biology and materials science. The final part of the chapter introduces several concepts of currently performed technical developments, which aim at exploiting 2D IR spectroscopy as an analytical tool. Such developments embrace the combination of 2D IR spectroscopy and plasmonic spectroscopy for ultrasensitive analytics, merging 2D IR spectroscopy with ultra-high-resolution microscopy (nanoscopy), future variants of transient 2D IR methods, or 2D IR in conjunction with microfluidics. It is expected that these techniques will allow for groundbreaking research in many new areas of natural sciences.

Two-dimensional sum-frequency generation (2D SFG) spectroscopy: Summary of principles and its application to amyloid fiber monolayers

PubMed Central

Ghosh, Ayanjeet; Ho, Jia-Jung; Serrano, Arnaldo L.; Skoff, David R.; Zhang, Tianqi; Zanni, Martin T.

2015-01-01

By adding a mid-infrared pulse shaper to a sum-frequency generation (SFG) spectrometer, we have built a 2D SFG spectrometer capable of measuring spectra analogous to 2D IR spectra but with monolayer sensitivity and SFG selection rules. In this paper, we describe the experimental apparatus and provide an introduction to 2D SFG spectroscopy to help the reader interpret 2D SFG spectra. The main aim of this manuscript is to report 2D SFG spectra of the amyloid forming peptide FGAIL. FGAIL is a critical segment of the human islet amyloid polypeptide (hIAPP or amylin) that aggregates in people with type 2 diabetes. FGAIL is catalyzed into amyloid fibers by many types of surfaces. Here, we study the structure of FGAIL upon deposition onto a gold surface covered with a self-assembled monolayer of methyl 4-mercaptobenzoate (MMB) that produces an ester coating. FGAIL deposited on bare gold does not form ordered layers. The measured 2D SFG spectrum is consistent with amyloid fiber formation, exhibiting both the parallel (a+) and perpendicular (a−) symmetry modes associated with amyloid β-sheets. Cross peaks are observed between the ester stretches of the coating and the FGAIL peptides. Simulations are presented for two possible structures of FGAIL amyloid β-sheets that illustrates the sensitivity of the 2D SFG spectra to structure and orientation. These results provide some of the first molecular insights into surface catalyzed amyloid fiber structure. PMID:25611039

Two-dimensional sum-frequency generation (2D SFG) spectroscopy: summary of principles and its application to amyloid fiber monolayers.

PubMed

Ghosh, Ayanjeet; Ho, Jia-Jung; Serrano, Arnaldo L; Skoff, David R; Zhang, Tianqi; Zanni, Martin T

2015-01-01

By adding a mid-infrared pulse shaper to a sum-frequency generation (SFG) spectrometer, we have built a 2D SFG spectrometer capable of measuring spectra analogous to 2D IR spectra but with monolayer sensitivity and SFG selection rules. In this paper, we describe the experimental apparatus and provide an introduction to 2D SFG spectroscopy to help the reader interpret 2D SFG spectra. The main aim of this manuscript is to report 2D SFG spectra of the amyloid forming peptide FGAIL. FGAIL is a critical segment of the human islet amyloid polypeptide (hIAPP or amylin) that aggregates in people with type 2 diabetes. FGAIL is catalyzed into amyloid fibers by many types of surfaces. Here, we study the structure of FGAIL upon deposition onto a gold surface covered with a self-assembled monolayer of methyl-4-mercaptobenzoate (MMB) that produces an ester coating. FGAIL deposited on bare gold does not form ordered layers. The measured 2D SFG spectrum is consistent with amyloid fiber formation, exhibiting both the parallel (a+) and perpendicular (a-) symmetry modes associated with amyloid β-sheets. Cross peaks are observed between the ester stretches of the coating and the FGAIL peptides. Simulations are presented for two possible structures of FGAIL amyloid β-sheets that illustrate the sensitivity of the 2D SFG spectra to structure and orientation. These results provide some of the first molecular insights into surface catalyzed amyloid fiber structure.

Determination of Spectroscopic Properties of Atmospheric Molecules from High Resolution Vacuum Ultraviolet Cross Section and Wavelength Measurements

NASA Technical Reports Server (NTRS)

Parkinson, W. H.; Yoshino, K.

1997-01-01

An account is given of progress during the period 8/l/96-7/31/97 on work on (a) cross section measurements of O2 S-R using a Fourier transform spectrometer (FTS) at the Photon Factory in Japan; (b) the determination of the predissociation linewidths of the Schumann-Runge bands (S-R) of 02; (c) cross section measurements of 02 Herzberg bands using a Fourier transform spectrometer (FTS) at Imperial College; and (d) cross section measurements of H2O in the wavelength region 120-188 nm. The experimental investigations are effected at high resolution with a 6.65 m scanning spectrometer and with the Fourier transform spectrometer. Below 175 nm, synchrotron radiation is most suitable for cross section measurements in combination with spectrometers at the Photon Factory Japan. Cross section measurements of the Doppler limited bands depend on using the very high resolution, available with the Fourier transform spectrometer, (0.025/cm resolution). All of these spectroscopic measurements are needed for accurate calculations of the production of atomic oxygen, the penetration of solar radiation into the Earth's atmosphere, and photochemistry of minor molecules.

Revisiting the Fundamental Analytical Solutions of Heat and Mass Transfer: The Kernel of Multirate and Multidimensional Diffusion

NASA Astrophysics Data System (ADS)

Zhou, Quanlin; Oldenburg, Curtis M.; Rutqvist, Jonny; Birkholzer, Jens T.

2017-11-01

There are two types of analytical solutions of temperature/concentration in and heat/mass transfer through boundaries of regularly shaped 1-D, 2-D, and 3-D blocks. These infinite-series solutions with either error functions or exponentials exhibit highly irregular but complementary convergence at different dimensionless times, td. In this paper, approximate solutions were developed by combining the error-function-series solutions for early times and the exponential-series solutions for late times and by using time partitioning at the switchover time, td0. The combined solutions contain either the leading term of both series for normal-accuracy approximations (with less than 0.003 relative error) or the first two terms for high-accuracy approximations (with less than 10-7 relative error) for 1-D isotropic (spheres, cylinders, slabs) and 2-D/3-D rectangular blocks (squares, cubes, rectangles, and rectangular parallelepipeds). This rapid and uniform convergence for rectangular blocks was achieved by employing the same time partitioning with individual dimensionless times for different directions and the product of their combined 1-D slab solutions. The switchover dimensionless time was determined to minimize the maximum approximation errors. Furthermore, the analytical solutions of first-order heat/mass flux for 2-D/3-D rectangular blocks were derived for normal-accuracy approximations. These flux equations contain the early-time solution with a three-term polynomial in √td and the late-time solution with the limited-term exponentials for rectangular blocks. The heat/mass flux equations and the combined temperature/concentration solutions form the ultimate kernel for fast simulations of multirate and multidimensional heat/mass transfer in porous/fractured media with millions of low-permeability blocks of varying shapes and sizes.

Explicit densities of multidimensional ballistic Lévy walks.

PubMed

Magdziarz, Marcin; Zorawik, Tomasz

2016-08-01

Lévy walks have proved to be useful models of stochastic dynamics with a number of applications in the modeling of real-life phenomena. In this paper we derive explicit formulas for densities of the two- (2D) and three-dimensional (3D) ballistic Lévy walks, which are most important in applications. It turns out that in the 3D case the densities are given by elementary functions. The densities of the 2D Lévy walks are expressed in terms of hypergeometric functions and the right-side Riemann-Liouville fractional derivative, which allows us to efficiently evaluate them numerically. The theoretical results agree perfectly with Monte Carlo simulations.

Multi-Dimensionality of Synthetic Vision Cockpit Displays: Prevention of Controlled-Flight-Into-Terrain

NASA Technical Reports Server (NTRS)

Prinzel, Lawrence J., III; Kramer, Lynda J.; Arthur, Jarvis J.; Bailey, Randall E.

2006-01-01

NASA's Synthetic Vision Systems (SVS) project is developing technologies with practical applications that will help to eliminate low visibility conditions as a causal factor to civil aircraft accidents while replicating the operational benefits of clear day flight operations, regardless of the actual outside visibility condition. The paper describes experimental evaluation of a multi-mode 3-D exocentric synthetic vision navigation display concept for commercial aircraft. Experimental results showed the situation awareness benefits of 2-D and 3-D exocentric synthetic vision displays over traditional 2-D co-planar navigation and vertical situation displays. Conclusions and future research directions are discussed.

Absolute intensities and self-, N2-, and air-broadened Lorentz halfwidths for selected lines in the nu3 band of (C-12)H3D from measurements with a tunable diode laser spectrometer

NASA Technical Reports Server (NTRS)

Malathy Devi, V.; Benner, D. C.; Rinsland, C. P.; Smith, M. A. H.; Thakur, K. B.

1986-01-01

Absolute intensities and self-, air- and N2-broadened half-widths have been determined for the first time for individual lines in the nu3(A1) band of (C-12)H3D near 7.6 microns from measurements of individual vibration-rotation lines using a tunable diode laser spectrometer. The intensity measurements are believed to be accurate to within three percent. Within experimental uncertainties, equal broadening efficiencies are found for both air and nitrogen. Self-broadened half-widths determined for three transitions yield an average half-width value of 0.803 + or -0.0010/cm/atm at 296 K.

Application of comprehensive multidimensional gas chromatography combined with time-of-flight mass spectrometry (GC x GC-TOFMS) for high resolution analysis of hop essential oil.

PubMed

Roberts, Mark T; Dufour, Jean-Pierre; Lewis, Alastair C

2004-04-01

The selection and quality of hops is a major determinant in beer flavour. Brewers acknowledge that distinctive characteristics of different hop varieties can be traced to the composition of their essential oils. The difficulty in characterising complex mixtures such as hop oil using 1-D chromatography is that many compounds co-elute. With the introduction of comprehensive multidimensional capillary gas chromatography (GC x GC), there is a tremendous improvement in the separation power or peak capacity. Recent work using GC x GC with flame ionisation detection has suggested that there may be over 1,000 compounds in hop oil. This work describes the use of GC x GC combined with TOFMS detection (Leco Pegasus 4D instrument) to analyse Target hop oil. The TOFMS spectral acquisition rate of 60 Hz provided sufficient spectra per peak (2-D peak base width of 0.1-0.2 s) for identification (119 components were identified with 45 previously unreported compounds). When analysing results, an advantage of GC x GC coupled to TOFMS is that 2-D chromatograms can be viewed for individual masses that are characteristic of particular functional groups. This allows the analyst to view the various homologous series of compounds although in certain cases coelution may still be present as shown by the esters with mass 75.

Method for designing gas tag compositions

DOEpatents

Gross, Kenny C.

1995-01-01

For use in the manufacture of gas tags such as employed in a nuclear reactor gas tagging failure detection system, a method for designing gas tagging compositions utilizes an analytical approach wherein the final composition of a first canister of tag gas as measured by a mass spectrometer is designated as node #1. Lattice locations of tag nodes in multi-dimensional space are then used in calculating the compositions of a node #2 and each subsequent node so as to maximize the distance of each node from any combination of tag components which might be indistinguishable from another tag composition in a reactor fuel assembly. Alternatively, the measured compositions of tag gas numbers 1 and 2 may be used to fix the locations of nodes 1 and 2, with the locations of nodes 3-N then calculated for optimum tag gas composition. A single sphere defining the lattice locations of the tag nodes may be used to define approximately 20 tag nodes, while concentric spheres can extend the number of tag nodes to several hundred.

Numerical solutions of Navier-Stokes equations for compressible turbulent two/three dimensional flows in terminal shock region of an inlet/diffuser

NASA Technical Reports Server (NTRS)

Liu, N. S.; Shamroth, S. J.; Mcdonald, H.

1983-01-01

The multidimensional ensemble averaged compressible time dependent Navier Stokes equations in conjunction with mixing length turbulence model and shock capturing technique were used to study the terminal shock type of flows in various flight regimes occurring in a diffuser/inlet model. The numerical scheme for solving the governing equations is based on a linearized block implicit approach and the following high Reynolds number calculations were carried out: (1) 2 D, steady, subsonic; (2) 2 D, steady, transonic with normal shock; (3) 2 D, steady, supersonic with terminal shock; (4) 2 D, transient process of shock development and (5) 3 D, steady, transonic with normal shock. The numerical results obtained for the 2 D and 3 D transonic shocked flows were compared with corresponding experimental data; the calculated wall static pressure distributions agree well with the measured data.

Systems and Methods for Data Visualization Using Three-Dimensional Displays

NASA Technical Reports Server (NTRS)

Davidoff, Scott (Inventor); Djorgovski, Stanislav G. (Inventor); Estrada, Vicente (Inventor); Donalek, Ciro (Inventor)

2017-01-01

Data visualization systems and methods for generating 3D visualizations of a multidimensional data space are described. In one embodiment a 3D data visualization application directs a processing system to: load a set of multidimensional data points into a visualization table; create representations of a set of 3D objects corresponding to the set of data points; receive mappings of data dimensions to visualization attributes; determine the visualization attributes of the set of 3D objects based upon the selected mappings of data dimensions to 3D object attributes; update a visibility dimension in the visualization table for each of the plurality of 3D object to reflect the visibility of each 3D object based upon the selected mappings of data dimensions to visualization attributes; and interactively render 3D data visualizations of the 3D objects within the virtual space from viewpoints determined based upon received user input.

Conventional and Advanced Separations in Mass Spectrometry-Based Metabolomics: Methodologies and Applications

DOE Office of Scientific and Technical Information (OSTI.GOV)

Heyman, Heino M.; Zhang, Xing; Tang, Keqi

2016-02-16

Metabolomics is the quantitative analysis of all metabolites in a given sample. Due to the chemical complexity of the metabolome, optimal separations are required for comprehensive identification and quantification of sample constituents. This chapter provides an overview of both conventional and advanced separations methods in practice for reducing the complexity of metabolite extracts delivered to the mass spectrometer detector, and covers gas chromatography (GC), liquid chromatography (LC), capillary electrophoresis (CE), supercritical fluid chromatography (SFC) and ion mobility spectrometry (IMS) separation techniques coupled with mass spectrometry (MS) as both uni-dimensional and as multi-dimensional approaches.

Multi-dimensional SAR tomography for monitoring the deformation of newly built concrete buildings

NASA Astrophysics Data System (ADS)

Ma, Peifeng; Lin, Hui; Lan, Hengxing; Chen, Fulong

2015-08-01

Deformation often occurs in buildings at early ages, and the constant inspection of deformation is of significant importance to discover possible cracking and avoid wall failure. This paper exploits the multi-dimensional SAR tomography technique to monitor the deformation performances of two newly built buildings (B1 and B2) with a special focus on the effects of concrete creep and shrinkage. To separate the nonlinear thermal expansion from total deformations, the extended 4-D SAR technique is exploited. The thermal map estimated from 44 TerraSAR-X images demonstrates that the derived thermal amplitude is highly related to the building height due to the upward accumulative effect of thermal expansion. The linear deformation velocity map reveals that B1 is subject to settlement during the construction period, in addition, the creep and shrinkage of B1 lead to wall shortening that is a height-dependent movement in the downward direction, and the asymmetrical creep of B2 triggers wall deflection that is a height-dependent movement in the deflection direction. It is also validated that the extended 4-D SAR can rectify the bias of estimated wall shortening and wall deflection by 4-D SAR.

Push-broom imaging spectrometer based on planar lightwave circuit MZI array

NASA Astrophysics Data System (ADS)

Yang, Minyue; Li, Mingyu; He, Jian-Jun

2017-05-01

We propose a large aperture static imaging spectrometer (LASIS) based on planar lightwave circuit (PLC) MZI array. The imaging spectrometer works in the push-broom mode with the spectrum performed by interferometry. While the satellite/aircraft is orbiting, the same source, seen from the satellite/aircraft, moves across the aperture and enters different MZIs, while adjacent sources enter adjacent MZIs at the same time. The on-chip spectrometer consists of 256 input mode converters, followed by 256 MZIs with linearly increasing optical path delays and a detector array. Multiple chips are stick together to form the 2D image surface and receive light from the imaging lens. Two MZI arrays are proposed, one works in wavelength ranging from 500nm to 900nm with SiON(refractive index 1.6) waveguides and another ranging from 1100nm to 1700nm with SOI platform. To meet the requirements of imaging spectrometer applications, we choose large cross-section ridge waveguide to achieve polarization insensitive, maintain single mode propagation in broad spectrum and increase production tolerance. The SiON on-chip spectrometer has a spectral resolution of 80cm-1 with a footprint of 17×15mm2 and the SOI based on-chip spectrometer has a resolution of 38cm-1 with a size of 22×19mm2. The spectral and space resolution of the imaging spectrometer can be further improved by simply adding more MZIs. The on-chip waveguide MZI array based Fourier transform imaging spectrometer can provide a highly compact solution for remote sensing on unmanned aerial vehicles or satellites with advantages of small size, light weight, no moving parts and large input aperture.

A computational approach for coupled 1D and 2D/3D CFD modelling of pulse Tube cryocoolers

NASA Astrophysics Data System (ADS)

Fang, T.; Spoor, P. S.; Ghiaasiaan, S. M.

2017-12-01

The physics behind Stirling-type cryocoolers are complicated. One dimensional (1D) simulation tools offer limited details and accuracy, in particular for cryocoolers that have non-linear configurations. Multi-dimensional Computational Fluid Dynamic (CFD) methods are useful but are computationally expensive in simulating cyrocooler systems in their entirety. In view of the fact that some components of a cryocooler, e.g., inertance tubes and compliance tanks, can be modelled as 1D components with little loss of critical information, a 1D-2D/3D coupled model was developed. Accordingly, one-dimensional - like components are represented by specifically developed routines. These routines can be coupled to CFD codes and provide boundary conditions for 2D/3D CFD simulations. The developed coupled model, while preserving sufficient flow field details, is two orders of magnitude faster than equivalent 2D/3D CFD models. The predictions show good agreement with experimental data and 2D/3D CFD model.

Onboard image compression schemes for modular airborne imaging spectrometer (MAIS) based on wavelet transform

NASA Astrophysics Data System (ADS)

Zhu, Zhenyu; Wang, Jianyu

1996-11-01

In this paper, two compression schemes are presented to meet the urgent needs of compressing the huge volume and high data rate of imaging spectrometer images. According to the multidimensional feature of the images and the high fidelity requirement of the reconstruction, both schemes were devised to exploit the high redundancy in both spatial and spectral dimension based on the mature wavelet transform technology. Wavelet transform was applied here in two ways: First, with the spatial wavelet transform and the spectral DPCM decorrelation, a ratio up to 84.3 with PSNR > 48db's near-lossless result was attained. This is based ont he fact that the edge structure among all the spectral bands are similar while WT has higher resolution in high frequency components. Secondly, with the wavelet's high efficiency in processing the 'wideband transient' signals, it was used to transform the raw nonstationary signals in the spectral dimension. A good result was also attained.

Measuring spatially varying, multispectral, ultraviolet bidirectional reflectance distribution function with an imaging spectrometer

NASA Astrophysics Data System (ADS)

Li, Hongsong; Lyu, Hang; Liao, Ningfang; Wu, Wenmin

2016-12-01

The bidirectional reflectance distribution function (BRDF) data in the ultraviolet (UV) band are valuable for many applications including cultural heritage, material analysis, surface characterization, and trace detection. We present a BRDF measurement instrument working in the near- and middle-UV spectral range. The instrument includes a collimated UV light source, a rotation stage, a UV imaging spectrometer, and a control computer. The data captured by the proposed instrument describe spatial, spectral, and angular variations of the light scattering from a sample surface. Such a multidimensional dataset of an example sample is captured by the proposed instrument and analyzed by a k-mean clustering algorithm to separate surface regions with same material but different surface roughnesses. The clustering results show that the angular dimension of the dataset can be exploited for surface roughness characterization. The two clustered BRDFs are fitted to a theoretical BRDF model. The fitting results show good agreement between the measurement data and the theoretical model.

The Multidimensional Solitons in a Plasma: Structure Stability and Dynamics

DTIC Science & Technology

2003-07-20

ax(8 H’ / 8u), (2) into GKP (Generalized Kadomtsev - Petviashvili ) class where of equations , and in the case when 13 4nnT / B 2 << 1 1 1 for 6) < OB= eB...that the soliton elastic collisions can lead to formation of complex structures including the multisoliton bound states. 1. Basic equations Eq. (1) with...scribed by equation 2. Stability of 2D and 3D solutions atu + A(t,u)u =f, f= K 0X Ajudx, (1) To study stability of the GKP equation solutions, we =a 2

High-resolution crystal spectrometer for the 10-60 A extreme ultraviolet region

DOE Office of Scientific and Technical Information (OSTI.GOV)

Beiersdorfer, P.; Brown, G.V.; Goddard, R.

2004-10-01

A vacuum crystal spectrometer with nominal resolving power approaching 1000 is described for measuring emission lines with wavelength in the extreme ultraviolet region up to 60 A. The instrument utilizes a flat octadecyl hydrogen maleate crystal and a thin-window 1D position-sensitive gas proportional detector. This detector employs a 1-{mu}m-thick 100x8 mm{sup 2} aluminized polyimide window and operates at one atmosphere pressure. The spectrometer has been implemented on the Livermore electron beam ion traps. The performance of the instrument is illustrated in measurements of the newly discovered magnetic field-sensitive line in Ar{sup 8+}.

High-resolution crystal spectrometer for the 10-60 (angstrom) EUV region

DOE Office of Scientific and Technical Information (OSTI.GOV)

Beiersdorfer, P; Brown, G V; Goddard, R

2004-02-20

A vacuum crystal spectrometer with nominal resolving power approaching 1000 is described for measuring emission lines with wavelength in the extreme ultraviolet region up to 60 Angstroms. The instrument utilizes a flat octadecyl hydrogen maleate (OHM) crystal and a thin-window 1-D position-sensitive gas proportional detector. This detector employs a 1 {micro}m-thick 100 x8 mm{sup 2} aluminized polyimide window and operates at one atmosphere pressure. The spectrometer has been implemented on the Livermore electron beam ion traps. The performance of the instrument is illustrated in measurements of the newly discovered magnetic field-sensitive line in Ar{sup 8+}.

PEGASYS: A proposed internal target-spectrometer facility for the PEP storage ring

DOE Office of Scientific and Technical Information (OSTI.GOV)

Van Bibber, K.

A proposal for an internal gas-jet target and forward spectrometer for the PEP storage ring is described. The beam structure, allowable luminosity (L=10/sup 33/ cm/sup /minus/2/s/sup /minus/1/ for H/sub 2/, D/sub 2/ decreasing as Z/sup /minus/1.75/ for nuclear targets) and energy (E/sub e/less than or equal to 15 GeV) make the ring ideal for multiparticle coincidence studies in the scaling regime, and where perturbative QCD may be an apt description of some exclusive and semi-inclusive reactions. 17 refs., 5 figs.

A dynamic nuclear polarization strategy for multi-dimensional Earth's field NMR spectroscopy.

PubMed

Halse, Meghan E; Callaghan, Paul T

2008-12-01

Dynamic nuclear polarization (DNP) is introduced as a powerful tool for polarization enhancement in multi-dimensional Earth's field NMR spectroscopy. Maximum polarization enhancements, relative to thermal equilibrium in the Earth's magnetic field, are calculated theoretically and compared to the more traditional prepolarization approach for NMR sensitivity enhancement at ultra-low fields. Signal enhancement factors on the order of 3000 are demonstrated experimentally using DNP with a nitroxide free radical, TEMPO, which contains an unpaired electron which is strongly coupled to a neighboring (14)N nucleus via the hyperfine interaction. A high-quality 2D (19)F-(1)H COSY spectrum acquired in the Earth's magnetic field with DNP enhancement is presented and compared to simulation.

Methane measurement by the Pioneer Venus large probe neutral mass spectrometer

NASA Technical Reports Server (NTRS)

Donahue, T. M.; Hodges, R. R., Jr.

1992-01-01

The Pioneer Venus Large Probe Mass Spectrometer detected a large quantity of methane as it descended below 20 km in the atmosphere of Venus. Terrestrial methane and Xe-136, both originating in the same container and flowing through the same plumbing, were deliberately released inside the mass spectrometer for instrumental reasons. However, the Xe-136 did not exhibit behavior similar to methane during Venus entry, nor did CH4 in laboratory simulations. The CH4 was deuterium poor compared to Venus water and hydrogen. While the inlet to the mass spectrometer was clogged with sulfuric acid droplets, significant deuteration of CH4 and its H2 progeny was observed. Since the only source of deuterium identifiable was water from sulfuric acid, we have concluded that we should correct the HDO/H2O ratio in Venus water from 3.2 x 10(exp -2) to (5 plus or minus 0.7) x 10(exp -2). When the probe was in the lower atmosphere, transfer of deuterium from Venus HDO and HD to CH4 can account quantitatively for the deficiencies recorded in HDO and HD below 10 km, and consequently, the mysterious gradients in water vapor and hydrogen mixing ratios we have reported. The revision in the D/H ratio reduces the mixing ratio of water vapor (and H2) reported previously by a factor of 3.2/5. We are not yet able to say whether the methane detected was atmospheric or an instrumental artifact. If it was atmospheric, its release must have been episodic and highly localized. Otherwise, the large D/H ratio in Venus water and hydrogen could not be maintained.

Methane measurement by the Pioneer Venus large probe neutral mass spectrometer

NASA Astrophysics Data System (ADS)

Donahue, T. M.; Hodges, R. R., Jr.

1992-12-01

The Pioneer Venus Large Probe Mass Spectrometer detected a large quantity of methane as it descended below 20 km in the atmosphere of Venus. Terrestrial methane and Xe-136, both originating in the same container and flowing through the same plumbing, were deliberately released inside the mass spectrometer for instrumental reasons. However, the Xe-136 did not exhibit behavior similar to methane during Venus entry, nor did CH4 in laboratory simulations. The CH4 was deuterium poor compared to Venus water and hydrogen. While the inlet to the mass spectrometer was clogged with sulfuric acid droplets, significant deuteration of CH4 and its H2 progeny was observed. Since the only source of deuterium identifiable was water from sulfuric acid, we have concluded that we should correct the HDO/H2O ratio in Venus water from 3.2 x 10-2 to (5 plus or minus 0.7) x 10-2. When the probe was in the lower atmosphere, transfer of deuterium from Venus HDO and HD to CH4 can account quantitatively for the deficiencies recorded in HDO and HD below 10 km, and consequently, the mysterious gradients in water vapor and hydrogen mixing ratios we have reported. The revision in the D/H ratio reduces the mixing ratio of water vapor (and H2) reported previously by a factor of 3.2/5. We are not yet able to say whether the methane detected was atmospheric or an instrumental artifact. If it was atmospheric, its release must have been episodic and highly localized. Otherwise, the large D/H ratio in Venus water and hydrogen could not be maintained.

Fast modular data acquisition system for GEM-2D detector

NASA Astrophysics Data System (ADS)

Kasprowicz, G.; Byszuk, Adrian; Wojeński, A.; Zienkiewicz, P.; Czarski, T.; Chernyshova, M.; Poźniak, K.; Rzadkiewicz, J.; Zabolotny, W.; Juszczyk, B.

2014-11-01

A novel approach to two dimensional Gas Electron Multiplier (GEM) detector readout is presented. Unlike commonly used methods, based on discriminators and analogue FIFOs, the method developed uses simulta- neously sampling high speed ADCs with fast hybrid integrator and advanced FPGA-based processing logic to estimate the energy of every single photon. Such a method is applied to every GEM strip / pixel signal. It is especially useful in case of crystal-based spectrometers for soft X-rays, 2D imaging for plasma tomography and all these applications where energy resolution of every single photon is required. For the purpose of the detector readout, a novel, highly modular and extendable conception of the measurement platform was developed. It is evolution of already deployed measurement system for JET Spectrometer.

Dispersion-free continuum two-dimensional electronic spectrometer

PubMed Central

Zheng, Haibin; Caram, Justin R.; Dahlberg, Peter D.; Rolczynski, Brian S.; Viswanathan, Subha; Dolzhnikov, Dmitriy S.; Khadivi, Amir; Talapin, Dmitri V.; Engel, Gregory S.

2015-01-01

Electronic dynamics span broad energy scales with ultrafast time constants in the condensed phase. Two-dimensional (2D) electronic spectroscopy permits the study of these dynamics with simultaneous resolution in both frequency and time. In practice, this technique is sensitive to changes in nonlinear dispersion in the laser pulses as time delays are varied during the experiment. We have developed a 2D spectrometer that uses broadband continuum generated in argon as the light source. Using this visible light in phase-sensitive optical experiments presents new challenges in implementation. We demonstrate all-reflective interferometric delays using angled stages. Upon selecting an ~180 nm window of the available bandwidth at ~10 fs compression, we probe the nonlinear response of broadly absorbing CdSe quantum dots and electronic transitions of Chlorophyll a. PMID:24663470

Conceptualizing the multidimensional nature of self-efficacy: assessment of situational context and level of behavioral challenge to maintain safer sex. National Institute of Mental Health Multisite HIV Prevention Trial Group.

PubMed

Murphy, D A; Stein, J A; Schlenger, W; Maibach, E

2001-07-01

A. Bandura (1991) argued that self-efficacy measurement should be specific both to the situation in which the behavior occurs and level of challenge in that situation. Measures consistent with the 2 dimensions were developed with graded challenge levels and differing gender-appropriate situations. Participants were 1,496 controls in the National Institute of Mental Health Multisite HIV Prevention Trial recruited from STD clinics and health service centers (925 women and 571 men). The authors tested 4 separate-sex confirmatory factor analysis models as follows: (a) Condom negotiation efficacy as a unitary construct across situations and gradation of difficulty; (b) situation as preeminent, which transfers across skills whatever the gradation of difficulty; (c) skill as predominant, irrespective of situation; and (d) a multidimensional design that simultaneously accounts for both situation and graded difficulty. Consistent with Bandura's theory, the multidimensional model provided the best fit for both samples.

Multidimensional preparative liquid chromatography to isolate flavonoids from bergamot juice and evaluation of their anti-inflammatory potential.

PubMed

Russo, Marina; Dugo, Paola; Marzocco, Stefania; Inferrera, Veronica; Mondello, Luigi

2015-12-01

Important objectives of a high-performance liquid chromatography preparative process are: purity of products isolated, yield, and throughput. The multidimensional preparative liquid chromatography method used in this work was developed mainly to increase the throughput; moreover purity and yield are increased thanks to the automated collection of the molecules based on the intensity of a signal generated from the mass spectrometer detector, in this way only a specific product can be targeted. This preparative system allowed, in few analyses both in the first and second dimensions, the isolation of eight pure compounds present at very different concentration in the original sample with high purity (>95%) and yield, which showed how the system is efficient and versatile. Pure molecules were used to validate the analytical method and to test the anti-inflammatory and antiproliferative potential of flavonoids. The contemporary presence, in bergamot juice, of all the flavonoids together increases the anti-inflammatory effect with respect to the single compound alone. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Effects of thermal expansion of the crystal lattice on x-ray crystal spectrometers used for fusion research

NASA Astrophysics Data System (ADS)

Delgado-Aparicio, L.; Bitter, M.; Podpaly, Y.; Rice, J.; Burke, W.; Sanchez del Rio, M.; Beiersdorfer, P.; Bell, R.; Feder, R.; Gao, C.; Hill, K.; Johnson, D.; Lee, S. G.; Marmar, E.; Pablant, N.; Reinke, M. L.; Scott, S.; Wilson, R.

2013-12-01

X-ray imaging crystal spectrometers with high spectral and spatial resolution are currently being used on magnetically confined fusion devices to infer the time history profiles of ion and electron temperatures as well as plasma flow velocities. The absolute measurement of flow velocities is important for optimizing various discharge scenarios and evaluating the radial electric field in tokamak and stellarator plasmas. Recent studies indicate that the crystal temperature must be kept constant to within a fraction of a degree to avoid changes of the interplanar 2d-spacing by thermal expansion that cause changes in the Bragg angle, which could be misinterpreted as Doppler shifts. For the instrumental parameters of the x-ray crystal spectrometer on Alcator C-Mod, where those thermal effects were investigated, a change of the crystal temperature by 1 °C causes a change of the lattice spacing of the order of Δd = 1 × 10-5 Å introducing a fictitious velocity drift of the order of ˜3 km s-1. This effect must be considered for x-ray imaging crystals spectrometers installed on LHD, KSTAR, EAST, J-TEXT, NSTX and, in the future, W7-X and ITER.

Scalable Parallel Algorithms for Multidimensional Digital Signal Processing

DTIC Science & Technology

1991-12-31

Proceedings, San Diego CL., August 1989, pp. 132-146. 53 [13] A. L. Gorin, L. Auslander, and A. Silberger . Balanced computation of 2D trans- forms on a tree...Speech, Signal Processing. ASSP-34, Oct. 1986,pp. 1301-1309. [24] A. Norton and A. Silberger . Parallelization and performance analysis of the Cooley-Tukey

Optical Kerr spatiotemporal dark extreme waves

NASA Astrophysics Data System (ADS)

Wabnitz, Stefan; Kodama, Yuji; Baronio, Fabio

2018-02-01

We study the existence and propagation of multidimensional dark non-diffractive and non-dispersive spatiotemporal optical wave-packets in nonlinear Kerr media. We report analytically and confirm numerically the properties of spatiotemporal dark lines, X solitary waves and lump solutions of the (2 + 1)D nonlinear Schr odinger equation (NLSE). Dark lines, X waves and lumps represent holes of light on a continuous wave background. These solitary waves are derived by exploiting the connection between the (2 + 1)D NLSE and a well-known equation of hydrodynamics, namely the (2+1)D Kadomtsev-Petviashvili (KP) equation. This finding opens a novel path for the excitation and control of spatiotemporal optical solitary and rogue waves, of hydrodynamic nature.

2D Radiative Processes Near Cloud Edges

NASA Technical Reports Server (NTRS)

Varnai, T.

2012-01-01

Because of the importance and complexity of dynamical, microphysical, and radiative processes taking place near cloud edges, the transition zone between clouds and cloud free air has been the subject of intense research both in the ASR program and in the wider community. One challenge in this research is that the one-dimensional (1D) radiative models widely used in both remote sensing and dynamical simulations become less accurate near cloud edges: The large horizontal gradients in particle concentrations imply that accurate radiative calculations need to consider multi-dimensional radiative interactions among areas that have widely different optical properties. This study examines the way the importance of multidimensional shortwave radiative interactions changes as we approach cloud edges. For this, the study relies on radiative simulations performed for a multiyear dataset of clouds observed over the NSA, SGP, and TWP sites. This dataset is based on Microbase cloud profiles as well as wind measurements and ARM cloud classification products. The study analyzes the way the difference between 1D and 2D simulation results increases near cloud edges. It considers both monochromatic radiances and broadband radiative heating, and it also examines the influence of factors such as cloud type and height, and solar elevation. The results provide insights into the workings of radiative processes and may help better interpret radiance measurements and better estimate the radiative impacts of this critical region.

Obtaining T1-T2 distribution functions from 1-dimensional T1 and T2 measurements: The pseudo 2-D relaxation model

NASA Astrophysics Data System (ADS)

Williamson, Nathan H.; Röding, Magnus; Galvosas, Petrik; Miklavcic, Stanley J.; Nydén, Magnus

2016-08-01

We present the pseudo 2-D relaxation model (P2DRM), a method to estimate multidimensional probability distributions of material parameters from independent 1-D measurements. We illustrate its use on 1-D T1 and T2 relaxation measurements of saturated rock and evaluate it on both simulated and experimental T1-T2 correlation measurement data sets. Results were in excellent agreement with the actual, known 2-D distribution in the case of the simulated data set. In both the simulated and experimental case, the functional relationships between T1 and T2 were in good agreement with the T1-T2 correlation maps from the 2-D inverse Laplace transform of the full 2-D data sets. When a 1-D CPMG experiment is combined with a rapid T1 measurement, the P2DRM provides a double-shot method for obtaining a T1-T2 relationship, with significantly decreased experimental time in comparison to the full T1-T2 correlation measurement.

State Space Methods in Multidimensional Digital Signal Processing

DTIC Science & Technology

1991-01-01

2-D finite difference equation with quarter-plane support is given by [1]. Li L-2 Ll L2 g (nln2) =E E Zb(jl,j2)f(n,-j, n 2 -j 2 ) - E a(jl,j2) g (n, - j...B2 [ g (n , n2)] = [C1 C2 1 Sq’(n nl2) ]+ D [f (ni, n 2 )] (2.2) Roesser’s state space model is based upon assigning state variables to the output of...QH(n - 1,n2) + [ B1 [f(nl,n2)]Qv(ni, n2) I A3 A411 Qv(nl, n2 -1 1 B2 [ g (n 1 ,n 2 )] = [C1 C 2] Q(n - n) + D[f(nin 2 )] (2.5) I Qv(ni,n2- 1) 1 In this

Theoretical studies for the rates and kinetic isotope effects of the excited-state double proton transfer in the 1:1 7-azaindole:H2O complex using variational transition state theory including multidimensional tunneling.

PubMed

Duong, My Phu Thi; Kim, Yongho

2010-03-18

Variational transition state theory calculations including multidimensional tunneling (VTST/MT) for excited-state tautomerization in the 1:1 7-azaindole:H(2)O complex were performed. Electronic structures and energies for reactant, product, transition state, and potential energy curves along the reaction coordinate were computed at the CASSCF(10,9)/6-31G(d,p) level of theory. The potential energies were corrected by second-order multireference perturbation theory to take the dynamic electron correlation into consideration. The final potential energy curves along the reaction coordinate were generated at the MRPT2//CASSCF(10,9)/6-31G(d,p) level. Two protons in the excited-state tautomerization are transferred concertedly, albeit asynchronously. The position of the variational transition state is very different from the conventional transition state, and is highly dependent on isotopic substitution. Rate constants were calculated using VTST/MT, and were on the order of 10(-6) s(-1) at room temperature. The HH/DD kinetic isotope effects are consistent with experimental observations; consideration of both tunneling and variational effects was essential to predict the experimental values correctly.

The Space-Time Conservation Element and Solution Element Method-A New High-Resolution and Genuinely Multidimensional Paradigm for Solving Conservation Laws. 2; Numerical Simulation of Shock Waves and Contact Discontinuities

NASA Technical Reports Server (NTRS)

Wang, Xiao-Yen; Chow, Chuen-Yen; Chang, Sin-Chung

1998-01-01

Without resorting to special treatment for each individual test case, the 1D and 2D CE/SE shock-capturing schemes described previously (in Part I) are used to simulate flows involving phenomena such as shock waves, contact discontinuities, expansion waves and their interactions. Five 1D and six 2D problems are considered to examine the capability and robustness of these schemes. Despite their simple logical structures and low computational cost (for the 2D CE/SE shock-capturing scheme, the CPU time is about 2 micro-secs per mesh point per marching step on a Cray C90 machine), the numerical results, when compared with experimental data, exact solutions or numerical solutions by other methods, indicate that these schemes can accurately resolve shock and contact discontinuities consistently.

Evaluation of Airborne Visible/Infrared Imaging Spectrometer Data of the Mountain Pass, California carbonatite complex

NASA Technical Reports Server (NTRS)

Crowley, James; Rowan, Lawrence; Podwysocki, Melvin; Meyer, David

1988-01-01

Airborne Visible/Infrared Imaging Spectrometer (AVIRIS) data of the Mountain Pass, California carbonatite complex were examined to evaluate the AVIRIS instrument performance and to explore alternative methods of data calibration. Although signal-to-noise estimates derived from the data indicated that the A, B, and C spectrometers generally met the original instrument design objectives, the S/N performance of the D spectrometer was below expectations. Signal-to-noise values of 20 to 1 or lower were typical of the D spectrometer and several detectors in the D spectrometer array were shown to have poor electronic stability. The AVIRIS data also exhibited periodic noise, and were occasionally subject to abrupt dark current offsets. Despite these limitations, a number of mineral absorption bands, including CO3, Al-OH, and unusual rare earth element bands, were observed for mine areas near the main carbonatite body. To discern these bands, two different calibration procedures were applied to remove atmospheric and solar components from the remote sensing data. The two procedures, referred to as the single spectrum and the flat field calibration methods gave distinctly different results. In principle, the single spectrum method should be more accurate; however, additional fieldwork is needed to rigorously determine the degree of calibration success.

Study of Laminar Flame 2-D Scalar Values at Various Fuel to Air Ratios Using an Imaging Fourier-Transform Spectrometer and 2-D CFD Analysis

DTIC Science & Technology

2013-03-01

NASA- Glenn’s Chemical Equilibrium with Applications (CEA) program. UNICORN CFD predictions were in excellent agreement with CEA calculations at...49 Appendix A – UNICORN CFD Inputs and Instruction .....................................................50 Appendix B – NASA-Glenn...17 Figure 7: Schematic of UNICORN CFD card setup. ........................................................ 18 Figure 8: Averaged flame

DESCANT and β-delayed neutron measurements at TRIUMF

NASA Astrophysics Data System (ADS)

Bildstein, V.; Garrett, P. E.; Ashley, S. F.; Ball, G. C.; Bianco, L.; Bandyopadhyay, D.; Bangay, J.; Crider, B. P.; Demand, G.; Deng, G.; Dillmann, I.; Finlay, A.; Garnsworthy, A. B.; Hackman, G.; Hadinia, B.; Krücken, R.; Leach, K. G.; Martin, J.-P.; McEllistrem, M. T.; Pearson, C. J.; Peters, E. E.; Prados-Estévez, F. M.; Radich, A.; Sarazin, F.; Sumithrarachchi, C.; Svensson, C. E.; Vanhoy, J. R.; Wong, J.; Yates, S. W.

2015-05-01

The DESCANT array (Deuterated Scintillator Array for Neutron Tagging) consists of up to 70 detectors, each filled with approximately 2 liters of deuterated benzene. This scintillator material o_ers pulse-shape discrimination (PSD) capabilities to distinguish between neutrons and γ-rays interacting with the scintillator material. In addition, the anisotropic nature of n - d scattering allows for the determination of the neutron energy spectrum directly from the pulse height spectrum, complementing the traditional time-of-flight (ToF) information. DESCANT can be coupled either to the TIGRESS (TRIUMF-ISAC Gamma-Ray Escape Suppressed Spectrometer) γ-ray spectrometer [1] located in the ISAC-II [2] hall of TRIUMF for in-beam experiments, or to the GRIFFIN (Gamma-Ray Infrastructure For Fundamental Investigations of Nuclei) γ-ray spectrometer [3] located in the ISAC-I hall of TRIUMF for decay spectroscopy experiments.

Multidimensional Anodized Titanium Foam Photoelectrode for Efficient Utilization of Photons in Mesoscopic Solar Cells.

PubMed

Kang, Jin Soo; Choi, Hyelim; Kim, Jin; Park, Hyeji; Kim, Jae-Yup; Choi, Jung-Woo; Yu, Seung-Ho; Lee, Kyung Jae; Kang, Yun Sik; Park, Sun Ha; Cho, Yong-Hun; Yum, Jun-Ho; Dunand, David C; Choe, Heeman; Sung, Yung-Eun

2017-09-01

Mesoscopic solar cells based on nanostructured oxide semiconductors are considered as a promising candidates to replace conventional photovoltaics employing costly materials. However, their overall performances are below the sufficient level required for practical usages. Herein, this study proposes an anodized Ti foam (ATF) with multidimensional and hierarchical architecture as a highly efficient photoelectrode for the generation of a large photocurrent. ATF photoelectrodes prepared by electrochemical anodization of freeze-cast Ti foams have three favorable characteristics: (i) large surface area for enhanced light harvesting, (ii) 1D semiconductor structure for facilitated charge collection, and (iii) 3D highly conductive metallic current collector that enables exclusion of transparent conducting oxide substrate. Based on these advantages, when ATF is utilized in dye-sensitized solar cells, short-circuit photocurrent density up to 22.0 mA cm -2 is achieved in the conventional N719 dye-I 3 - /I - redox electrolyte system even with an intrinsically inferior quasi-solid electrolyte. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

A technique for extending by ~10 3 the dynamic range of compact proton spectrometers for diagnosing ICF implosions on the National Ignition Facility and OMEGA a)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sio, H.; Séguin, F. H.; Frenje, J. A.

Wedge Range Filter (WRF) proton spectrometers are routinely used on OMEGA and the NIF for diagnosing ρR and ρR asymmetries in direct- and indirect-drive implosions of D 3He-, D 2-, and DT-gas-filled capsules. By measuring the optical opacity distribution in CR-39 due to proton tracks in high-yield applications, as opposed to counting individual tracks, WRF dynamic range can be extended by 10 2 for obtaining the spectral shape, and by 10 3 for mean energy (ρR) measurement, corresponding to proton fluences of 10 8 and 10 9 cm -2, respectively. Finally, using this new technique, ρR asymmetries can be measuredmore » during both shock and compression burn (proton yield ~10 8 and ~10 12, respectively) in 2-shock National Ignition Facility implosions with the standard WRF accuracy of ±~10 mg/cm 2.« less

Oligonucleotide gas-phase hydrogen/deuterium exchange with D2S in the collision cell of a quadrupole-Fourier transform ion cyclotron resonance mass spectrometer.

PubMed

Mo, Jingjie; Håkansson, Kristina

2007-10-15

We have implemented gas-phase hydrogen/deuterium exchange (HDX) experiments in the external collision cell of a hybrid quadrupole-Fourier transform ion cyclotron resonance mass spectrometer. In this configuration, multiply charged oligonucleotide anions undergo significant exchange with D(2)S at reaction intervals ranging from 0.11 to 60.1 s. For DNA homohexamers, relative exchange rates were dC(6) approximately dA(6) > dG(6) > dT(6), correlating with the gas-phase acidities of nucleobases (C > A > T > G), except for guanine. Our results are consistent with a relay mechanism in which D(2)S interacts with both a backbone phosphate group and a neutral nucleobase through hydrogen bonding. We propose that the faster exchange of polyguanosine compared to polythymidine is due to the larger size of guanine and the orientation of its labile hydrogens, which may result in gas-phase conformations more favorable for forming complexes with D(2)S. Similar trends were observed for RNA homohexamers, although their HDX rates were faster than for DNA, suggesting they can also exchange via another relay process involving the 2'-hydroxyl group. HDX of DNA duplexes further supports the involvement of nucleobase hydrogens because duplexes exchanged slower than their corresponding single strands, presumably due to the intermolecular hydrogen bonds between nucleobases. This work constitutes the first investigation of the mechanisms of oligonucleotide gas-phase HDX. Our results on duplexes show promise for application of this strategy to the characterization of structured nucleic acids.

Prospects for measuring the fuel ion ratio in burning ITER plasmas using a DT neutron emission spectrometer

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hellesen, C.; Skiba, M., E-mail: mateusz.skiba@physics.uu.se; Dzysiuk, N.

2014-11-15

The fuel ion ratio n{sub t}/n{sub d} is an essential parameter for plasma control in fusion reactor relevant applications, since maximum fusion power is attained when equal amounts of tritium (T) and deuterium (D) are present in the plasma, i.e., n{sub t}/n{sub d} = 1.0. For neutral beam heated plasmas, this parameter can be measured using a single neutron spectrometer, as has been shown for tritium concentrations up to 90%, using data obtained with the MPR (Magnetic Proton Recoil) spectrometer during a DT experimental campaign at the Joint European Torus in 1997. In this paper, we evaluate the demands thatmore » a DT spectrometer has to fulfill to be able to determine n{sub t}/n{sub d} with a relative error below 20%, as is required for such measurements at ITER. The assessment shows that a back-scattering time-of-flight design is a promising concept for spectroscopy of 14 MeV DT emission neutrons.« less

Improvements in the gaseous hydrogen-water equilibration technique for hydrogen isotope ratio analysis

USGS Publications Warehouse

Coplen, T.B.; Wildman, J.D.; Chen, J.

1991-01-01

Improved precision in the H2-H2O equilibration method for ??D analysis has been achieved in an automated system. Reduction in 1-?? standard deviation of a single mass-spectrometer analysis to 1.3??? is achieved by (1) bonding catalyst to glass rods and assigning use to specific equilibration chambers to monitor performance of catalyst, (2) improving the apparatus design, and (3) reducing the H3+ contribution of the mass-spectrometer ion source. For replicate analysis of a water sample, the standard deviation improved to 0.8???. H2S-bearing samples and samples as small as 0.1 mL can be analyzed routinely with this method.

Study on feasibility of determination of glucosamine content of fermentation process using a micro NIR spectrometer.

PubMed

Sun, Zhongyu; Li, Can; Li, Lian; Nie, Lei; Dong, Qin; Li, Danyang; Gao, Lingling; Zang, Hengchang

2018-08-05

N-acetyl-d-glucosamine (GlcNAc) is a microbial fermentation product, and NIR spectroscopy is an effective process analytical technology (PAT) tool in detecting the key quality attribute: the GlcNAc content. Meanwhile, the design of NIR spectrometers is under the trend of miniaturization, portability and low-cost nowadays. The aim of this study was to explore a portable micro NIR spectrometer with the fermentation process. First, FT-NIR spectrometer and Micro-NIR 1700 spectrometer were compared with simulated fermentation process solutions. The R c 2 , R p 2 , RMSECV and RMSEP of the optimal FT-NIR and Micro-NIR 1700 models were 0.999, 0.999, 3.226 g/L, 1.388 g/L and 0.999, 0.999, 1.821 g/L, 0.967 g/L. Passing-Bablok regression method and paired t-test results showed there were no significant differences between the two instruments. Then the Micro-NIR 1700 was selected for the practical fermentation process, 135 samples from 10 batches were collected. Spectral pretreatment methods and variables selection methods (BiPLS, FiPLS, MWPLS and CARS-PLS) for PLS modeling were discussed. The R c 2 , R p 2 , RMSECV and RMSEP of the optimal GlcNAc content PLS model of the practical fermentation process were 0.994, 0.995, 2.792 g/L and 1.946 g/L. The results have a positive reference for application of the Micro-NIR spectrometer. To some extent, it could provide theoretical supports in guiding the microbial fermentation or the further assessment of bioprocess. Copyright © 2018. Published by Elsevier B.V.

Best Design for Multidimensional Computerized Adaptive Testing With the Bifactor Model

PubMed Central

Seo, Dong Gi; Weiss, David J.

2015-01-01

Most computerized adaptive tests (CATs) have been studied using the framework of unidimensional item response theory. However, many psychological variables are multidimensional and might benefit from using a multidimensional approach to CATs. This study investigated the accuracy, fidelity, and efficiency of a fully multidimensional CAT algorithm (MCAT) with a bifactor model using simulated data. Four item selection methods in MCAT were examined for three bifactor pattern designs using two multidimensional item response theory models. To compare MCAT item selection and estimation methods, a fixed test length was used. The Ds-optimality item selection improved θ estimates with respect to a general factor, and either D- or A-optimality improved estimates of the group factors in three bifactor pattern designs under two multidimensional item response theory models. The MCAT model without a guessing parameter functioned better than the MCAT model with a guessing parameter. The MAP (maximum a posteriori) estimation method provided more accurate θ estimates than the EAP (expected a posteriori) method under most conditions, and MAP showed lower observed standard errors than EAP under most conditions, except for a general factor condition using Ds-optimality item selection. PMID:29795848

A "special perspectives" issue: Recent achievements and new directions in biomolecular solid state NMR

NASA Astrophysics Data System (ADS)

Tycko, Robert

2015-04-01

Twenty years ago, applications of solid state nuclear magnetic resonance (NMR) methods to real problems involving biological systems or biological materials were few and far between. Starting in the 1980s, a small number of research groups had begun to explore the possibility of obtaining structural and dynamical information about peptides, proteins, and other biopolymers from solid state NMR spectra. Progress was initially slow due to the relatively primitive state of solid state NMR probes, spectrometers, sample preparation methods, and pulse sequence techniques, coupled with the small number of people contributing to this research area. By the early 1990s, with the advent of new ideas about pulse sequence techniques such as dipolar recoupling, improvements in techniques for orienting membrane proteins and in technology for magic-angle spinning (MAS), improvements in the capabilities of commercial NMR spectrometers, and general developments in multidimensional spectroscopy, it began to appear that biomolecular solid state NMR might have a viable future. It was not until 1993 that the annual number of publications in this area crept above twenty.

Wavelet SVM in Reproducing Kernel Hilbert Space for hyperspectral remote sensing image classification

NASA Astrophysics Data System (ADS)

Du, Peijun; Tan, Kun; Xing, Xiaoshi

2010-12-01

Combining Support Vector Machine (SVM) with wavelet analysis, we constructed wavelet SVM (WSVM) classifier based on wavelet kernel functions in Reproducing Kernel Hilbert Space (RKHS). In conventional kernel theory, SVM is faced with the bottleneck of kernel parameter selection which further results in time-consuming and low classification accuracy. The wavelet kernel in RKHS is a kind of multidimensional wavelet function that can approximate arbitrary nonlinear functions. Implications on semiparametric estimation are proposed in this paper. Airborne Operational Modular Imaging Spectrometer II (OMIS II) hyperspectral remote sensing image with 64 bands and Reflective Optics System Imaging Spectrometer (ROSIS) data with 115 bands were used to experiment the performance and accuracy of the proposed WSVM classifier. The experimental results indicate that the WSVM classifier can obtain the highest accuracy when using the Coiflet Kernel function in wavelet transform. In contrast with some traditional classifiers, including Spectral Angle Mapping (SAM) and Minimum Distance Classification (MDC), and SVM classifier using Radial Basis Function kernel, the proposed wavelet SVM classifier using the wavelet kernel function in Reproducing Kernel Hilbert Space is capable of improving classification accuracy obviously.

Water vapor d2H dynamics over China derived from SCIAMACHY satellite measurements

USDA-ARS?s Scientific Manuscript database

This study investigates water vapor isotopic patterns and controls over China using high-quality water vapor delta2H data retrieved from Scanning Imaging Absorption Spectrometer for Atmospheric Chartography (SCIAMACHY) observations. The results show that water vapor delta2H values on both annual and...

Infrared and Microwave Spectra and Force Field of DBO: The Coriolis Interaction between the nu1 and nu2 + nu3 States.

PubMed

Kawashima; Colarusso; Zhang; Bernath; Hirota

1998-11-01

The nu1 and nu3 bands of D11BO and the nu1 band of D10BO were observed by using an infrared diode laser spectrometer. The DBO molecule was generated by an ac discharge in a mixture of BCl3, D2, O2, and He. As inferred previously, a strong Coriolis interaction was in fact found to take place between the nu1 and nu2 + nu3 states, and an analysis of the observed nu1 spectra, which explicitly took into account this Coriolis interaction, predicted the pure rotational transition frequencies of DBO in the nu1 state. Pure rotational lines were then detected by microwave spectroscopy, confirming the validity of the infrared assignment. In the microwave experiment DBO molecules were generated by a discharge in a mixture of B2D6 and O2. The three fundamental bands and a hot band of D11BO, as well as the nu1 and nu3 bands of D10BO, were subsequently recorded in emission with a Fourier transform infrared spectrometer. DBO molecules were generated by the reaction of D2 with HBO at temperatures above 800 degreesC in a ceramic tube furnace. All of the observed spectra were simultaneously subjected to a least-squares analysis to obtain molecular parameters in the ground, nu1, nu2, nu3, and nu2 + nu3 states. The results thus obtained improved the force field and molecular structure of the HBO/DBO molecules reported in a previous study (Y. Kawashima, Y. Endo, and E. Hirota, 1989, J. Mol. Spectrosc. 133, 116-127). Copyright 1998 Academic Press.

Infrared and Microwave Spectra and Force Field of DBO: The Coriolis Interaction between the ν 1and ν 2+ ν 3States

NASA Astrophysics Data System (ADS)

Kawashima, Yoshiyuki; Colarusso, Pina; Zhang, K. Q.; Bernath, Peter; Hirota, Eizi

1998-11-01

The ν1and ν3bands of D11BO and the ν1band of D10BO were observed by using an infrared diode laser spectrometer. The DBO molecule was generated by an ac discharge in a mixture of BCl3, D2, O2, and He. As inferred previously, a strong Coriolis interaction was in fact found to take place between the ν1and ν2+ ν3states, and an analysis of the observed ν1spectra, which explicitly took into account this Coriolis interaction, predicted the pure rotational transition frequencies of DBO in the ν1state. Pure rotational lines were then detected by microwave spectroscopy, confirming the validity of the infrared assignment. In the microwave experiment DBO molecules were generated by a discharge in a mixture of B2D6and O2. The three fundamental bands and a hot band of D11BO, as well as the ν1and ν3bands of D10BO, were subsequently recorded in emission with a Fourier transform infrared spectrometer. DBO molecules were generated by the reaction of D2with HBO at temperatures above 800°C in a ceramic tube furnace. All of the observed spectra were simultaneously subjected to a least-squares analysis to obtain molecular parameters in the ground, ν1, ν2, ν3, and ν2+ ν3states. The results thus obtained improved the force field and molecular structure of the HBO/DBO molecules reported in a previous study (Y. Kawashima, Y. Endo, and E. Hirota, 1989,J. Mol. Spectrosc.133, 116-127).

Overview of Hall D Complex

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chudakov, Eugene A.

Hall D is a new experimental hall at Jefferson Lab, designed for experiments with a photon beam. The primary motivation for Hall D is the GlueX experiment [1,2], dedicated to meson spectroscopy. The Hall D complex consists of: An electron beam line used to extract the 5.5-pass electrons from the accelerator into the Tagger Hall. The designed beam energy is E e = 12 GeV;The Tagger Hall, where the electron beam passes through a thin radiator (~0.01% R.L.) and is deflected into the beam dump. The electrons that lost >30% of their energy in the radiator are detected with scintillatormore » hodoscopes providing a ~0.1% energy resolution for the tagged photons. Aligned diamond radiators allow to produce linearly polarized photons via the Coherent Bremsstrahlung. The beam dump is limited to 60 kW (5 µA at 12 GeV); The Collimator Cave contains a collimator for the photon beam and dipole magnets downstream in order to remove charged particles. The 3.4 mm diameter collimator, located about 75 m downstream of the radiator, selects the central cone of the photon beam increasing its average linear polarization, up to ~40%in the coherent peak at 9 GeV; Hall D contains several elements of the photon beam line, and themain spectrometer. A Pair Spectrometer consists of a thin converter, a dipole magnet, and a two-arm detector used to measure the energy spectrum of the photon beam. The main spectrometer is based on a 2-T superconducting solenoid, 4 m long and 1.85 m bore diameter. The liquid hydrogen target is located in the front part the solenoid. The charged tracks are detected with a set of drift chambers; photons are detected with two electromagnetic calorimeters. There are also scintillator hodoscopes for triggering and time-of-flight measurements. The spectrometer is nearly hermetic in an angular range of 1° < θ < 120 •. The momentum resolution is σ p /p ~ 1 ₋ ₋3% depending on the polar angle θ. The energy resolution of the electromagnetic calorimeters is about 7% at 1 GeV.« less

Method for designing gas tag compositions

DOEpatents

Gross, K.C.

1995-04-11

For use in the manufacture of gas tags such as employed in a nuclear reactor gas tagging failure detection system, a method for designing gas tagging compositions utilizes an analytical approach wherein the final composition of a first canister of tag gas as measured by a mass spectrometer is designated as node No. 1. Lattice locations of tag nodes in multi-dimensional space are then used in calculating the compositions of a node No. 2 and each subsequent node so as to maximize the distance of each node from any combination of tag components which might be indistinguishable from another tag composition in a reactor fuel assembly. Alternatively, the measured compositions of tag gas numbers 1 and 2 may be used to fix the locations of nodes 1 and 2, with the locations of nodes 3-N then calculated for optimum tag gas composition. A single sphere defining the lattice locations of the tag nodes may be used to define approximately 20 tag nodes, while concentric spheres can extend the number of tag nodes to several hundred. 5 figures.

A novel von Hamos spectrometer for efficient X-ray emission spectroscopy in the laboratory

DOE Office of Scientific and Technical Information (OSTI.GOV)

Anklamm, Lars, E-mail: anklamm@physik.tu-berlin.de; Schlesiger, Christopher; Malzer, Wolfgang

2014-05-15

We present a novel, highly efficient von Hamos spectrometer for X-ray emission spectroscopy (XES) in the laboratory using highly annealed pyrolitic graphite crystals as the dispersive element. The spectrometer covers an energy range from 2.5 keV to 15 keV giving access to chemical speciation and information about the electronic configuration of 3d transition metals by means of the Kβ multiplet. XES spectra of Ti compounds are presented to demonstrate the speciation capabilities of the instrument. A spectral resolving power of E/ΔE = 2000 at 8 keV was achieved. Typical acquisition times range from 10 min for bulk material to hours formore » thin samples below 1 μm.« less

Rapid prototyping of solar-powered, battery-operated, atmospheric-pressure, sugar-cube size microplasma on hybrid, 3D chips for elemental analysis of liquid microsamples using a portable optical emission spectrometer

NASA Astrophysics Data System (ADS)

Zhang, X.; Karanassios, V.

2012-06-01

A solar-powered, battery-operated, atmospheric-pressure, self-igniting microplasma the size of a sugar-cube developed on a hybrid, 3d-chip is described. Rapid prototyping of the 3d-chip; some fundamental aspects and a brief characterization of its background spectral emission using a portable, fiber-optic spectrometer are discussed.

Lunar and Planetary Science XXXV: Future Missions to the Moon

NASA Technical Reports Server (NTRS)

2004-01-01

This document contained the following topics: A Miniature Mass Spectrometer Module; SELENE Gamma Ray Spectrometer Using Ge Detector Cooled by Stirling Cryocooler; Lunar Elemental Composition and Investigations with D-CIXS X-Ray Mapping Spectrometer on SMART-1; X-Ray Fluorescence Spectrometer Onboard the SELENE Lunar Orbiter: Its Science and Instrument; Detectability of Degradation of Lunar Impact Craters by SELENE Terrain Camera; Study of the Apollo 16 Landing Site: As a Standard Site for the SELENE Multiband Imager; Selection of Targets for the SMART-1 Infrared Spectrometer (SIR); Development of a Telescopic Imaging Spectrometer for the Moon; The Lunar Seismic Network: Mission Update.

Measurement of 59Ni and 63Ni by accelerator mass spectrometry at CIAE

NASA Astrophysics Data System (ADS)

Wang, Xiaoming; He, Ming; Ruan, Xiangdong; Xu, Yongning; Shen, Hongtao; Du, Liang; Xiao, Caijin; Dong, Kejun; Jiang, Shan; Yang, Xuran; Lan, Xiaoxi; Wu, Shaoyong; Zhao, Qingzhang; Cai, Li; Pang, Fangfang

2015-10-01

The long lived isotopes 59Ni and 63Ni can be used in many areas such as radioactive waste management, neutron dosimetry, cosmic radiation study, and so on. Based on the large accelerator and a big Q3D magnetic spectrometer, the measurement method for 59Ni and 63Ni is under development at the AMS facility at China Institute of Atomic Energy (CIAE). By using the ΔE-Q3D technique with the Q3D magnetic spectrometer, the isobaric interferences were greatly reduced in the measurements of 59Ni and 63Ni. A four anode gas ionization chamber was then used to further identify isobars. With these techniques, the abundance sensitivities of 59Ni and 63Ni measurements are determined as 59Ni/Ni = 1 × 10-13 and 63Ni/Ni = 2 × 10-12, respectively.

Parametric instabilities and their control in multidimensional nonuniform gain media

NASA Astrophysics Data System (ADS)

Charbonneau-Lefort, Mathieu; Afeyan, Bedros; Fejer, Martin

2007-11-01

In order to control parametric instabilities in large scale long pulse laser produced plasmas, optical mixing techniques seem most promising [1]. We examine ways of controlling the growth of some modes while creating other unstable ones in nonuniform gain media, including the effects of transverse localization of the pump wave. We show that multidimensional effects are essential to understand laser-gain medium interactions [2] and that one dimensional models such as the celebrated Rosenbluth result [3] can be misleading [4]. These findings are verified in experiments carried out in a chirped quasi-phase-matched gratings in optical parametric amplifiers where thousands of shots can be taken and statistically significant and stable results obtained. [1] B. Afeyan, et al., IFSA Proceedings, 2003. [2] M. M. Sushchik and G. I. Freidman, Radiofizika 13, 1354 (1970). [3] M. N. Rosenbluth, Phys. Rev. Lett. 29, 565 (1972). [4] M. Charbonneau-Lefort, PhD thesis, Stanford University, 2007.

Fast Monte Carlo simulation of a dispersive sample on the SEQUOIA spectrometer at the SNS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Granroth, Garrett E; Chen, Meili; Kohl, James Arthur

2007-01-01

Simulation of an inelastic scattering experiment, with a sample and a large pixilated detector, usually requires days of time because of finite processor speeds. We report simulations on an SNS (Spallation Neutron Source) instrument, SEQUOIA, that reduce the time to less than 2 hours by using parallelization and the resources of the TeraGrid. SEQUOIA is a fine resolution (∆E/Ei ~ 1%) chopper spectrometer under construction at the SNS. It utilizes incident energies from Ei = 20 meV to 2 eV and will have ~ 144,000 detector pixels covering 1.6 Sr of solid angle. The full spectrometer, including a 1-D dispersivemore » sample, has been simulated using the Monte Carlo package McStas. This paper summarizes the method of parallelization for and results from these simulations. In addition, limitations of and proposed improvements to current analysis software will be discussed.« less

Airborne astronomy with a 150 micrometer - 500 micrometer heterodyne spectrometer

NASA Technical Reports Server (NTRS)

Betz, A. L.

1991-01-01

This report summarizes work done under NASA Grant NAG2-254 awarded to the University of California. The project goal was to build a far-infrared heterodyne spectrometer for NASA's Kuiper Airborne Observatory (KAO), and to use this instrument to observe atomic and molecular spectral lines from the interstellar medium. This goal was successfully achieved; the spectrometer is now in routine use aboard the KAO. Detections of particular note have been the 370 micrometers line of neutral atomic carbon, the 158 micrometers transition of ionized carbon, many of the high-J rotational lines of 12CO and 13CO between J=9-8 and J=22-21, the 119 micron ground-state rotational line of OH, and the 219 micron ground-state rotational line of H2D(+). All of these lines were observed at spectral resolutions exceeding 1 part in 10(exp 6), thereby allowing accurate line shapes and Doppler velocities to be measured.

Hyperfine Structure in the Pure Rotational Spectrum of 208Pb35Cl

NASA Astrophysics Data System (ADS)

Dewberry, Christopher T.; Grubbs, Garry S., II; Etchison, Kerry C.; Cooke, Stephen A.

2010-06-01

Initially in our laboratory the pure rotational spectrum of the title molecule was studied using a Balle-Flygare Fourier transform microwave spectrometer. Analysis was troublesome and so the spectrum was remeasured using a chirped pulse Fourier transform microwave (CP-FTMW) spectrometer. The correct intensity aspect of the CP-FTMW experiment allowed successful quantum number assignments for the hyperfine structure for the correct isotopologue. Spectroscopic constants have been obtained from a fit to a data set consisting of our measurements combined with those of a prior study on the X_2^2Π3/2 → X_1^2Π_{1/2 fine structure transitions. K. Ziebarth, K. D. Setzer, O. Shestakov and E. H. Fink J. Mol. Spectrosc., 191 108, 1998.

NanoVipa: a miniaturized high-resolution echelle spectrometer, for the monitoring of young stars from a 6U Cubesat

NASA Astrophysics Data System (ADS)

Bourdarot, G.; Le Coarer, E.; Bonfils, X.; Alecian, E.; Rabou, P.; Magnard, Y.

2017-12-01

We introduce to astrophysical instrumentation and space optics the use of virtually imaged phased array (VIPA) to shrink échelle spectrometers and/or increase their resolution. Here, we report on both a concept of an echelle spectrometer with resolution R=50{,}000 (@653nm), which fits a 6U nanosatellite platform ({{1U= 10 cm × 10 cm × 10 cm}}), and on our laboratory tests on a R=200{,}000 demonstrator. The outline of our paper is as follows: Sect. 1 introduces our concept of a 6U payload comprising an échelle spectrometer based on the VIPA. We present also the science cases of monitoring young stars, and the wider science landscape amenable with larger telescopes. Section 2 gives a more detailed description of the VIPA and of its implementation in a cross-dispersed spectrometer. Section 3 shows the first results at R=200{,}000 we already achieved at the Institut de Planétologie et d'Astrophysique de Grenoble (IPAG). Finally, Sect. 4 is a discussion on the remaining technical points to study.

Measurement of Size-dependent Dynamic Shape Factors of Quartz Particles in Two Flow Regimes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Alexander, Jennifer M.; Bell, David M.; Imre, D.

2016-08-02

Understanding and modeling the behavior of quartz dust particles, commonly found in the atmosphere, requires knowledge of many relevant particles properties, including particle shape. This study uses a single particle mass spectrometer, a differential mobility analyzer, and an aerosol particle mass analyzer to measure quartz aerosol particles mobility, aerodynamic, and volume equivalent diameters, mass, composition, effective density, and dynamic shape factor as a function of particle size, in both the free molecular and transition flow regimes. The results clearly demonstrate that dynamic shape factors can vary significantly as a function of particle size. For the quartz samples studied here, themore » dynamic shape factors increase with size, indicating that larger particles are significantly more aspherical than smaller particles. In addition, dynamic shape factors measured in the free-molecular (χv) and transition (χt) flow regimes can be significantly different, and these differences vary with the size of the quartz particles. For quartz, χv of small (d < 200 nm) particles is 1.25, while χv of larger particles (d ~ 440 nm) is 1.6, with a continuously increasing trend with particle size. In contrast χt, of small particles starts at 1.1 increasing slowly to 1.34 for 550 nm diameter particles. The multidimensional particle characterization approach used here goes beyond determination of average properties for each size, to provide additional information about how the particle dynamic shape factor may vary even for particles with the same mass and volume equivalent diameter.« less

A Reduced-Order Model for Efficient Simulation of Synthetic Jet Actuators

NASA Technical Reports Server (NTRS)

Yamaleev, Nail K.; Carpenter, Mark H.

2003-01-01

A new reduced-order model of multidimensional synthetic jet actuators that combines the accuracy and conservation properties of full numerical simulation methods with the efficiency of simplified zero-order models is proposed. The multidimensional actuator is simulated by solving the time-dependent compressible quasi-1-D Euler equations, while the diaphragm is modeled as a moving boundary. The governing equations are approximated with a fourth-order finite difference scheme on a moving mesh such that one of the mesh boundaries coincides with the diaphragm. The reduced-order model of the actuator has several advantages. In contrast to the 3-D models, this approach provides conservation of mass, momentum, and energy. Furthermore, the new method is computationally much more efficient than the multidimensional Navier-Stokes simulation of the actuator cavity flow, while providing practically the same accuracy in the exterior flowfield. The most distinctive feature of the present model is its ability to predict the resonance characteristics of synthetic jet actuators; this is not practical when using the 3-D models because of the computational cost involved. Numerical results demonstrating the accuracy of the new reduced-order model and its limitations are presented.

Nonlinear Waves and Inverse Scattering

DTIC Science & Technology

1992-01-29

equations include the Kadomtsev - Petviashvili (K-P), Davey-Stewartson (D-S), 2+1 Toda, and Self-Dual Yang-Mills (SDYM) equations . We have uncovered a... Petviashvili Equation and Associated Constraints, M.J. Ablowitz and Javier Villaroel, Studies in Appl. Math. 85, (1991), 195-213. 12. On the Hamiltonian...nonlinear wave equations of physical significance, multidimensional inverse scattering, numer- ically induced instabilities and chaos, and forced

Multi-dimensional simulation package for ultrashort pulse laser-matter interactions

NASA Astrophysics Data System (ADS)

Suslova, Anastassiya; Hassanein, Ahmed

2017-10-01

Advanced simulation models recently became a popular tool of investigation of ultrashort pulse lasers (USPLs) to enhance understanding of the physics and allow minimizing the experimental costs for optimization of laser and target parameters for various applications. Our research interest is focused on developing multi-dimensional simulation package FEMTO-2D to investigate the USPL-matter interactions and laser induced effects. The package is based on solution of two heat conduction equations for electron and lattice sub-systems - enhanced two temperature model (TTM). We have implemented theoretical approach based on the collision theory to define the thermal dependence of target material optical properties and thermodynamic parameters. Our approach allowed elimination of fitted parameters commonly used in TTM based simulations. FEMTO-2D is used to simulated the light absorption and interactions for several metallic targets as a function of wavelength and pulse duration for wide range of laser intensity. The package has capability to consider different angles of incidence and polarization. It has also been used to investigate the damage threshold of the gold coated optical components with the focus on the role of the film thickness and substrate heat sink effect. This work was supported by the NSF, PIRE project.

Multiyear Statistics of 2-D Shortwave Radiative Effects at Three ARM Sites

NASA Technical Reports Server (NTRS)

Varnai, Tamas

2010-01-01

This study examines the importance of horizontal photon transport effects, which are not considered in the 1-D calculations of solar radiative heating used by most atmospheric dynamical models. In particular, the paper analyzes the difference between 2-D and 1-D radiative calculations for 2-D vertical cross-sections of clouds that were observed at three sites over 2- to 3-year periods. The results show that 2-D effects increase multiyear 24-hour average total solar absorption by about 4.1 W/sq m, 1.2 W/sq m, and 0.3 W/sq m at a tropical, mid-latitude, and arctic site, respectively. However, 2-D effects are often much larger than these average values, especially for high sun and for convective clouds. The results also reveal a somewhat unexpected behavior, that horizontal photon transport often enhances solar heating even for oblique sun. These findings underscore the need for fast radiation calculation methods that can allow atmospheric dynamical simulations to consider the inherently multidimensional nature of shortwave radiative processes.

Imidazoline ring cleavage in 1,3,6,10-tetraazatetracyclo-(7. 3. 1. 0/sup 2,7/. 0/sup 6,13/)trideca-4,11-dienes, leading to the formation of diquinoxalino(1,2-. cap alpha. :2',3'-d)pyrrole derivatives

DOE Office of Scientific and Technical Information (OSTI.GOV)

Charushin, V.N.; Petrova, G.M.; Aleksandrov, G.G.

1987-10-01

Dibenzo(d,k)-1,3,6,10-tetraazatetracyclo(7.3.1.0/sup 2,7/.0/sup 6,13/) trideca-4,11-dienes undergo addition reactions at the C/sub (2)/ carbon atom with alcohols and thiols, accompanied by cleavage of the C-N bond of the imidazoline ring, to generate diquinoxalino(1,2-..cap alpha..:2',3'-d)pyrrole derivatives. /sup 1/H NMR spectra were recorded on Perkin-Elmer R 12B (60 MHz) and Bruker WH-90 spectrometer for CDCl/sub 3/ solutions at 40/sup 0/C and with TMS as internal standard. /sup 13/C NMR spectra were obtained on a Bruker WH-90 (22.62 MHz) spectrometer. /sup 13/C chemical shifts were measured relative to solvent signals (deltaCDCl/sub 3/ 77.0 ppm). /sup 13/C NMR spectra of compounds IIa and g were takenmore » using full spin-spin carbon-proton decoupling. In order to measure SSCC the spectrum was recorded both with proton coupling and also with selective decoupling of individual protons and their attached /sup 13/C carbon nuclei.« less

[Development and application of a multidimensional suicide prevention program for Korean elders by utilizing a community network].

PubMed

Jo, Kae Hwa; Kim, Yeong Kyeong

2008-06-01

The purpose of this study was to develop a multidimensional suicide prevention program for Korean elders by utilizing a community network and to evaluate its effect. A non-equivalent control group pretest-posttest design was used. The subjects were recruited from two different elderly institutions located in D city and K province, Korea. Nineteen subjects in the control group received no intervention and 20 subjects in the experimental group received a multidimensional suicide prevention program. There were more significant decreases in depression, suicide ideation, and increases in life satisfaction in the experimental group compared to the control group. According to the above results, the multidimensional suicide prevention program for Korean elders decreased stressful events like depression, and suicide ideation and increased life satisfaction through the community network. These findings suggest that this program can be used as an efficient intervention for elders in a critical situation.

a 480 MHz Chirped-Pulse Fourier-Transform Microwave Spectrometer: Construction and Measurement of the Rotational Spectra of Divinyl Silane and 3,3-DIFLUOROPENTANE

NASA Astrophysics Data System (ADS)

Obenchain, Daniel A.; Steber, Amanda L.; Elliott, Ashley A.; Peebles, Rebecca A.; Peebles, Sean A.; Wurrey, Charles J.; Guirgis, Gamil A.

2010-06-01

A chirped-pulse Fourier-transform microwave (CP-FTMW) spectrometer based on the original Pate design has been constructed to allow analysis of any 480 MHz region in the 7 - 18 GHz range. A 1 μs chirped-pulse (0 - 240 MHz) from an arbitrary function generator is mixed with output from a microwave synthesizer and used to polarize a supersonic gas expansion; the resulting free induction decay is collected over 20 μs and Fourier-transformed on a 500 MHz oscilloscope to produce a rotational spectrum. A variety of molecules have now been studied with this instrument and results will be presented for numerous conformers of divinyl silane (predicted μtotal = 0.6 - 0.7 D) and the more polar 3,3-difluoropentane (predicted μtotal = 2.5 - 2.8 D). Two of the three possible conformers of divinyl silane were assigned (both having a C_1=C_2-Si-C_3 dihedral angle of -120° and a {C_2-Si-C_3=C_4} dihedral of either 0° (C_1 symmetry) or -120° (C_2 symmetry)). For 3,3-difluoropentane, three of the four possible {conformers} were identified: anti-gauche (C_1), gauche-gauche (C_2) and anti-anti (C2v). While rotational spectra for only the silicon isotopologues were observed for divinyl silane, measurement of the 13C spectra of 3,3-difluoropentane allowed heavy atom structure determinations for the anti-gauche and gauche-gauche conformers. Initial assignments of all spectra were made on the CP-FTMW {spectrometer}, and a Balle-Flygare FTMW spectrometer was used to compare frequencies of measured transitions and also to provide Stark effect data. Substitution (r_s) and inertial fit (r_0) structures will be compared with computational data and instrumental details will be presented. G.G. Brown, B.C. Dian, K.O. Douglass, S.M. Geyer, S.T. Shipman, B.H. Pate, Rev. Sci. Instrum., 79, (2008), 053103.

Nuclear science experiments with a bright neutron source from fusion reactions on the OMEGA Laser System

NASA Astrophysics Data System (ADS)

Forrest, C. J.; Knauer, J. P.; Schroeder, W. U.; Glebov, V. Yu.; Radha, P. B.; Regan, S. P.; Sangster, T. C.; Sickles, M.; Stoeckl, C.; Szczepanski, J.

2018-04-01

Subnanosecond impulses of 1013 to 1014 neutrons, produced in direct-drive laser inertial confinement fusion implosions, have been used to irradiate deuterated targets at the OMEGA Laser System (Boehly et al., 1997). The target compounds include heavy water (D2O) and deuterated benzene (C6D6). Yields and energy spectra of neutrons from D(n,2n)p to study the breakup reaction have been measured at a forward angle of θlab = 3 .5∘ ± 3.5° with a sensitive, high-dynamic-range neutron time-of-flight spectrometer to infer the double-differential breakup cross section d2 σ/dE d Ω for 14-MeV D-T fusion neutrons.

Ultralow noise up-conversion detector and spectrometer for the telecom band.

PubMed

Shentu, Guo-Liang; Pelc, Jason S; Wang, Xiao-Dong; Sun, Qi-Chao; Zheng, Ming-Yang; Fejer, M M; Zhang, Qiang; Pan, Jian-Wei

2013-06-17

We demonstrate up-conversion single-photon detection for the 1550-nm telecommunications band using a PPLN waveguide, long-wavelength pump, and narrowband filtering using a volume Bragg grating. We achieve total-system detection efficiency of around 30% with noise at the dark-count level of a Silicon APD. Based on the new detector, a single-pixel up-conversion infrared spectrometer with a noise equivalent power of -142 dBm Hz(-1/2) was demonstrated, which was as good as a liquid nitrogen cooled CCD camera.

High fold computer disk storage DATABASE for fast extended analysis of γ-rays events

NASA Astrophysics Data System (ADS)

Stézowski, O.; Finck, Ch.; Prévost, D.

1999-03-01

Recently spectacular technical developments have been achieved to increase the resolving power of large γ-ray spectrometers. With these new eyes, physicists are able to study the intricate nature of atomic nuclei. Concurrently more and more complex multidimensional analyses are needed to investigate very weak phenomena. In this article, we first present a software (DATABASE) allowing high fold coincidences γ-rays events to be stored on hard disk. Then, a non-conventional method of analysis, anti-gating procedure, is described. Two physical examples are given to explain how it can be used and Monte Carlo simulations have been performed to test the validity of this method.

Non-metric multidimensional performance indicator scaling reveals seasonal and team dissimilarity within the National Rugby League.

PubMed

Woods, Carl T; Robertson, Sam; Sinclair, Wade H; Collier, Neil French

2018-04-01

Analysing the dissimilarity of seasonal and team profiles within elite sport may reveal the evolutionary dynamics of game-play, while highlighting the similarity of individual team profiles. This study analysed seasonal and team dissimilarity within the National Rugby League (NRL) between the 2005 to 2016 seasons. Longitudinal. Total seasonal values for 15 performance indicators were collected for every NRL team over the analysed period (n=190 observations). Non-metric multidimensional scaling was used to reveal seasonal and team dissimilarity. Compared to the 2005 to 2011 seasons, the 2012 to 2016 seasons were in a state of flux, with a relative dissimilarity in the positioning of team profiles on the ordination surface. There was an abrupt change in performance indicator characteristics following the 2012 season, with the 2014 season reflecting a large increase in the total count of 'all run metres' (d=1.21; 90% CI=0.56-1.83), 'kick return metres' (d=2.99; 90% CI=2.12-3.84) and decrease in 'missed tackles' (d=-2.43; 90% CI=-3.19 to -1.64) and 'tackle breaks' (d=-2.41; 90% CI=-3.17 to -1.62). Interpretation of team ordination plots showed that certain teams evolved in (dis)similar ways over the analysed period. It appears that NRL match-types evolved following the 2012 season and are in a current state of flux. The modification of coaching tactics and rule changes may have contributed to these observations. Coaches could use these results when designing prospective game strategies in the NRL. Crown Copyright © 2017. Published by Elsevier Ltd. All rights reserved.

Multidimensional Signal Processing for Sensing & Communications

DTIC Science & Technology

2015-07-29

Superresolution (RISR) Algorithm,” IEEE Radar Conference, Cincinnati, OH, 19-23 May 2014, pp. 1278-1282. 5. J. Jakabosky, S.D. Blunt, and B. Himed...2014. B.D. Cordill, S.A. Seguin, and S.D. Blunt, “Mutual Coupling Calibration using the Reiterative Superresolution (RISR) Algorithm,” IEEE Radar

Visualization techniques to aid in the analysis of multi-spectral astrophysical data sets

NASA Technical Reports Server (NTRS)

Domik, Gitta; Alam, Salim; Pinkney, Paul

1992-01-01

This report describes our project activities for the period Sep. 1991 - Oct. 1992. Our activities included stabilizing the software system STAR, porting STAR to IDL/widgets (improved user interface), targeting new visualization techniques for multi-dimensional data visualization (emphasizing 3D visualization), and exploring leading-edge 3D interface devices. During the past project year we emphasized high-end visualization techniques, by exploring new tools offered by state-of-the-art visualization software (such as AVS3 and IDL4/widgets), by experimenting with tools still under research at the Department of Computer Science (e.g., use of glyphs for multidimensional data visualization), and by researching current 3D input/output devices as they could be used to explore 3D astrophysical data. As always, any project activity is driven by the need to interpret astrophysical data more effectively.

The research of digital circuit system for high accuracy CCD of portable Raman spectrometer

NASA Astrophysics Data System (ADS)

Yin, Yu; Cui, Yongsheng; Zhang, Xiuda; Yan, Huimin

2013-08-01

The Raman spectrum technology is widely used for it can identify various types of molecular structure and material. The portable Raman spectrometer has become a hot direction of the spectrometer development nowadays for its convenience in handheld operation and real-time detection which is superior to traditional Raman spectrometer with heavy weight and bulky size. But there is still a gap for its measurement sensitivity between portable and traditional devices. However, portable Raman Spectrometer with Shell-Isolated Nanoparticle-Enhanced Raman Spectroscopy (SHINERS) technology can enhance the Raman signal significantly by several orders of magnitude, giving consideration in both measurement sensitivity and mobility. This paper proposed a design and implementation of driver and digital circuit for high accuracy CCD sensor, which is core part of portable spectrometer. The main target of the whole design is to reduce the dark current generation rate and increase signal sensitivity during the long integration time, and in the weak signal environment. In this case, we use back-thinned CCD image sensor from Hamamatsu Corporation with high sensitivity, low noise and large dynamic range. In order to maximize this CCD sensor's performance and minimize the whole size of the device simultaneously to achieve the project indicators, we delicately designed a peripheral circuit for the CCD sensor. The design is mainly composed with multi-voltage circuit, sequential generation circuit, driving circuit and A/D transition parts. As the most important power supply circuit, the multi-voltage circuits with 12 independent voltages are designed with reference power supply IC and set to specified voltage value by the amplifier making up the low-pass filter, which allows the user to obtain a highly stable and accurate voltage with low noise. What's more, to make our design easy to debug, CPLD is selected to generate sequential signal. The A/D converter chip consists of a correlated double sampler; a digitally controlled variable gain amplifier and a 16-bit A/D converter which can help improve the data quality. And the acquired digital signals are transmitted into the computer via USB 2.0 data port. Our spectrometer with SHINERS technology can acquire the Raman spectrum signals efficiently in long time integration and weak signal environment, and the size of our system is well controlled for portable application.

Acquisition of a Nanosecond Laser Flash Photolysis Spectrometer to Enhance Understanding of Photochemistry and Reaction Kinetics in Undergraduate Research/Curriculum

DTIC Science & Technology

2016-03-31

photolysis # Compound # Compound 1 1,4-Dinitrobenzene 9 Azulene 2 1,2-Dinitrobenzene 10 4-Cyanophenol 3 Ferrocene 11 2-Nitrotoluene 4 4-Phenylphenol 12...Anthracene 4-Hydroxy-3-methoxybenzoic acid Cyclohexane Dithieno[3,2-b:2’,3’-d] thiophene Ferrocene Dimthylaniline Benzene 1,4- Diazabicyclo[2.2.2

Polaris-P Year 2 Report

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kaye, Willy; Boucher, Andy

The Polaris-P is under development at H3D for the Gamma-Ray Imaging Spectrometers for Nuclear Materials Accounting and Controls Phase II SBIR from the DOE. This report will summarize the progress made during the second year of the project.

rasdaman Array Database: current status

NASA Astrophysics Data System (ADS)

Merticariu, George; Toader, Alexandru

2015-04-01

rasdaman (Raster Data Manager) is a Free Open Source Array Database Management System which provides functionality for storing and processing massive amounts of raster data in the form of multidimensional arrays. The user can access, process and delete the data using SQL. The key features of rasdaman are: flexibility (datasets of any dimensionality can be processed with the help of SQL queries), scalability (rasdaman's distributed architecture enables it to seamlessly run on cloud infrastructures while offering an increase in performance with the increase of computation resources), performance (real-time access, processing, mixing and filtering of arrays of any dimensionality) and reliability (legacy communication protocol replaced with a new one based on cutting edge technology - Google Protocol Buffers and ZeroMQ). Among the data with which the system works, we can count 1D time series, 2D remote sensing imagery, 3D image time series, 3D geophysical data, and 4D atmospheric and climate data. Most of these representations cannot be stored only in the form of raw arrays, as the location information of the contents is also important for having a correct geoposition on Earth. This is defined by ISO 19123 as coverage data. rasdaman provides coverage data support through the Petascope service. Extensions were added on top of rasdaman in order to provide support for the Geoscience community. The following OGC standards are currently supported: Web Map Service (WMS), Web Coverage Service (WCS), and Web Coverage Processing Service (WCPS). The Web Map Service is an extension which provides zoom and pan navigation over images provided by a map server. Starting with version 9.1, rasdaman supports WMS version 1.3. The Web Coverage Service provides capabilities for downloading multi-dimensional coverage data. Support is also provided for several extensions of this service: Subsetting Extension, Scaling Extension, and, starting with version 9.1, Transaction Extension, which defines request types for inserting, updating and deleting coverages. A web client, designed for both novice and experienced users, is also available for the service and its extensions. The client offers an intuitive interface that allows users to work with multi-dimensional coverages by abstracting the specifics of the standard definitions of the requests. The Web Coverage Processing Service defines a language for on-the-fly processing and filtering multi-dimensional raster coverages. rasdaman exposes this service through the WCS processing extension. Demonstrations are provided online via the Earthlook website (earthlook.org) which presents use-cases from a wide variety of application domains, using the rasdaman system as processing engine.

Analysis of ν2 of D 2S

NASA Astrophysics Data System (ADS)

Gillis, James R.; Blatherwick, Ronald D.; Bonomo, Francis S.

1985-11-01

The infrared spectrum of ν2 of D 2S was recorded from 740 to 1100 cm -1 on the University of Denver 50-cm FTIR spectrometer system. We have assigned 655 transitions from D 232S and 129 from D 234S, and have analyzed them using Watson's A-reduced Hamiltonian evaluated in the I r representation. We used the recently published D 232S and D 234S ground state Hamiltonian constants [C. Camy-Peyret, J. M. Flaud, L. Lechuga-Fossat and J. W. C. Johns, J. Mol. Spectrosc.109, 300-333 (1985)]. Upper state Hamiltonian constants were obtained from a fit of the ν2 transitions, keeping the ground state constants fixed while varying the upper state constants. The standard deviation of the D 232S ν2 fit is 0.0025 cm -1. The standard deviation of the D 234S ν2 fit is 0.0041 cm -1.

Development of a diode laser heterodyne spectrometer and observations of silicon monoxide in sunspots. Ph.D. Thesis

NASA Technical Reports Server (NTRS)

Glenar, D. A.

1981-01-01

A state of the art, tunable diode laser infrared heterodyne spectrometer was designed and constructed for ground based observations throughout the 8 to 12 micron atmospheric window. The instrument was optimized for use with presently available tunable diode lasers, and was designed as a flexible field system for use with large reflecting telescopes. The instrument was aligned and calibrated using laboratory and astronomical sources. Observations of SiO fundamental (v = 1-0) and hot band (v = 2-1) absorption features were made in sunspots near 8 microns using the spectrometer. The data permit an unambiguous determination of the temperature pressure relation in the upper layers of the umbral atmosphere, and support the sunspot model suggested by Stellmacher and Wiehr.

Design and Implementation of Embedded Computer Vision Systems Based on Particle Filters

DTIC Science & Technology

2010-01-01

for hardware/software implementa- tion of multi-dimensional particle filter application and we explore this in the third application which is a 3D...methodology for hardware/software implementation of multi-dimensional particle filter application and we explore this in the third application which is a...and hence multiprocessor implementation of parti- cle filters is an important option to examine. A significant body of work exists on optimizing generic

Carbon-based electrocatalysts for advanced energy conversion and storage

PubMed Central

Zhang, Jintao; Xia, Zhenhai; Dai, Liming

2015-01-01

Oxygen reduction reaction (ORR) and oxygen evolution reaction (OER) play curial roles in electrochemical energy conversion and storage, including fuel cells and metal-air batteries. Having rich multidimensional nanoarchitectures [for example, zero-dimensional (0D) fullerenes, 1D carbon nanotubes, 2D graphene, and 3D graphite] with tunable electronic and surface characteristics, various carbon nanomaterials have been demonstrated to act as efficient metal-free electrocatalysts for ORR and OER in fuel cells and batteries. We present a critical review on the recent advances in carbon-based metal-free catalysts for fuel cells and metal-air batteries, and discuss the perspectives and challenges in this rapidly developing field of practical significance. PMID:26601241

Land cover/use classification of Cairns, Queensland, Australia: A remote sensing study involving the conjunctive use of the airborne imaging spectrometer, the large format camera and the thematic mapper simulator

NASA Technical Reports Server (NTRS)

Heric, Matthew; Cox, William; Gordon, Daniel K.

1987-01-01

In an attempt to improve the land cover/use classification accuracy obtainable from remotely sensed multispectral imagery, Airborne Imaging Spectrometer-1 (AIS-1) images were analyzed in conjunction with Thematic Mapper Simulator (NS001) Large Format Camera color infrared photography and black and white aerial photography. Specific portions of the combined data set were registered and used for classification. Following this procedure, the resulting derived data was tested using an overall accuracy assessment method. Precise photogrammetric 2D-3D-2D geometric modeling techniques is not the basis for this study. Instead, the discussion exposes resultant spectral findings from the image-to-image registrations. Problems associated with the AIS-1 TMS integration are considered, and useful applications of the imagery combination are presented. More advanced methodologies for imagery integration are needed if multisystem data sets are to be utilized fully. Nevertheless, research, described herein, provides a formulation for future Earth Observation Station related multisensor studies.

Near-infrared emission bands of TeH and TeD

NASA Astrophysics Data System (ADS)

Fink, E. H.; Setzer, K. D.; Ramsay, D. A.; Vervloet, M.

1989-11-01

High-resolution emission spectra of TeH and TeD have been obtained in the region 4200 to 3600 cm -1 using a Bomem DA3.002 Fourier transform spectrometer. Analyses are given for the 0-0 and 1-1 bands of the X 22Π{1}/{2}-X 12Π{3}/{2} system of TeH and for the 0-0 band of TeD. In addition the 2-0 vibrational overtone bands of 130TeH, 128TeH, and 126TeH are observed and analyzed. Accurate molecular constants are given for the first time.

One-Year stable perovskite solar cells by 2D/3D interface engineering

NASA Astrophysics Data System (ADS)

Grancini, G.; Roldán-Carmona, C.; Zimmermann, I.; Mosconi, E.; Lee, X.; Martineau, D.; Narbey, S.; Oswald, F.; de Angelis, F.; Graetzel, M.; Nazeeruddin, Mohammad Khaja

2017-06-01

Despite the impressive photovoltaic performances with power conversion efficiency beyond 22%, perovskite solar cells are poorly stable under operation, failing by far the market requirements. Various technological approaches have been proposed to overcome the instability problem, which, while delivering appreciable incremental improvements, are still far from a market-proof solution. Here we show one-year stable perovskite devices by engineering an ultra-stable 2D/3D (HOOC(CH2)4NH3)2PbI4/CH3NH3PbI3 perovskite junction. The 2D/3D forms an exceptional gradually-organized multi-dimensional interface that yields up to 12.9% efficiency in a carbon-based architecture, and 14.6% in standard mesoporous solar cells. To demonstrate the up-scale potential of our technology, we fabricate 10 × 10 cm2 solar modules by a fully printable industrial-scale process, delivering 11.2% efficiency stable for >10,000 h with zero loss in performances measured under controlled standard conditions. This innovative stable and low-cost architecture will enable the timely commercialization of perovskite solar cells.

One-Year stable perovskite solar cells by 2D/3D interface engineering

PubMed Central

Grancini, G.; Roldán-Carmona, C.; Zimmermann, I.; Mosconi, E.; Lee, X.; Martineau, D.; Narbey, S.; Oswald, F.; De Angelis, F.; Graetzel, M.; Nazeeruddin, Mohammad Khaja

2017-01-01

Despite the impressive photovoltaic performances with power conversion efficiency beyond 22%, perovskite solar cells are poorly stable under operation, failing by far the market requirements. Various technological approaches have been proposed to overcome the instability problem, which, while delivering appreciable incremental improvements, are still far from a market-proof solution. Here we show one-year stable perovskite devices by engineering an ultra-stable 2D/3D (HOOC(CH2)4NH3)2PbI4/CH3NH3PbI3 perovskite junction. The 2D/3D forms an exceptional gradually-organized multi-dimensional interface that yields up to 12.9% efficiency in a carbon-based architecture, and 14.6% in standard mesoporous solar cells. To demonstrate the up-scale potential of our technology, we fabricate 10 × 10 cm2 solar modules by a fully printable industrial-scale process, delivering 11.2% efficiency stable for >10,000 h with zero loss in performances measured under controlled standard conditions. This innovative stable and low-cost architecture will enable the timely commercialization of perovskite solar cells. PMID:28569749

One-Year stable perovskite solar cells by 2D/3D interface engineering.

PubMed

Grancini, G; Roldán-Carmona, C; Zimmermann, I; Mosconi, E; Lee, X; Martineau, D; Narbey, S; Oswald, F; De Angelis, F; Graetzel, M; Nazeeruddin, Mohammad Khaja

2017-06-01

Despite the impressive photovoltaic performances with power conversion efficiency beyond 22%, perovskite solar cells are poorly stable under operation, failing by far the market requirements. Various technological approaches have been proposed to overcome the instability problem, which, while delivering appreciable incremental improvements, are still far from a market-proof solution. Here we show one-year stable perovskite devices by engineering an ultra-stable 2D/3D (HOOC(CH 2 ) 4 NH 3 ) 2 PbI 4 /CH 3 NH 3 PbI 3 perovskite junction. The 2D/3D forms an exceptional gradually-organized multi-dimensional interface that yields up to 12.9% efficiency in a carbon-based architecture, and 14.6% in standard mesoporous solar cells. To demonstrate the up-scale potential of our technology, we fabricate 10 × 10 cm 2 solar modules by a fully printable industrial-scale process, delivering 11.2% efficiency stable for >10,000 h with zero loss in performances measured under controlled standard conditions. This innovative stable and low-cost architecture will enable the timely commercialization of perovskite solar cells.

A technique for extending by ∼10{sup 3} the dynamic range of compact proton spectrometers for diagnosing ICF implosions on the National Ignition Facility and OMEGA

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sio, H., E-mail: hsio@mit.edu; Séguin, F. H.; Frenje, J. A.

Wedge Range Filter (WRF) proton spectrometers are routinely used on OMEGA and the NIF for diagnosing ρR and ρR asymmetries in direct- and indirect-drive implosions of D{sup 3}He-, D{sub 2}-, and DT-gas-filled capsules. By measuring the optical opacity distribution in CR-39 due to proton tracks in high-yield applications, as opposed to counting individual tracks, WRF dynamic range can be extended by 10{sup 2} for obtaining the spectral shape, and by 10{sup 3} for mean energy (ρR) measurement, corresponding to proton fluences of 10{sup 8} and 10{sup 9} cm{sup −2}, respectively. Using this new technique, ρR asymmetries can be measured duringmore » both shock and compression burn (proton yield ∼10{sup 8} and ∼10{sup 12}, respectively) in 2-shock National Ignition Facility implosions with the standard WRF accuracy of ±∼10 mg/cm{sup 2}.« less

Effect of pressure on infrared spectra of ice 7

NASA Technical Reports Server (NTRS)

Holzapfel, W. B.; Seiler, B.; Nicol, M.

1983-01-01

The effect of pressure on the infrared spectra of H2O and D2O ice VII was studied at room temperature and pressures between 2 and 15 GPa with a Fourier transform infrared spectrometer and a diamond anvil high pressure cell. Two librational modes, one bending mode, and various overtone bands are well resolved. The stretching modes, nu sub 1 and nu sub 3 are poorly resolved due to overlap with diamond window absorption. Differences between the spectra of H2O and D2O are discussed.

Two multidimensional chromatographic methods for enantiomeric analysis of o,p'-DDT and o,p'-DDD in contaminated soil and air in a malaria area of South Africa.

PubMed

Naudé, Yvette; Rohwer, Egmont R

2012-06-12

In rural parts of South Africa the organochlorine insecticide DDT (1,1,1-trichloro-2,2-bis(p-chlorophenyl)ethane) is still used for malaria vector control where traditional dwellings are sprayed on the inside with small quantities of technical DDT. Since o,p'-DDT may show enantioselective oestrogenicity and biodegradability, it is important to analyse enantiomers of o,p'-DDT and its chiral degradation product, o,p'-DDD, for both health and environmental-forensic considerations. Generally, chiral analysis is performed using heart-cut multidimensional gas chromatography (MDGC) and, more recently, comprehensive two-dimensional gas chromatography (GC×GC). We developed an off-line gas chromatographic fraction collection (heart-cut) procedure for the selective capturing of the appropriate isomers from a first apolar column, followed by reinjection and separation on a second chiral column. Only the o,p'-isomers of DDT and DDD fractions from the first dimension complex chromatogram (achiral apolar GC column separation) were selectively collected onto a polydimethylsiloxane (PDMS) multichannel open tubular silicone rubber trap by simply placing the latter device on the flame tip of an inactivated flame ionisation detector (FID). The multichannel trap containing the o,p'-heart-cuts was then thermally desorbed into a GC with time-of-flight mass spectrometry detection (GC-TOFMS) for second dimension enantioselective separation on a chiral column (β-cyclodextrin-based). By selectively capturing only the o,p'-isomers from the complex sample chromatogram, (1)D separation of ultra-trace level enantiomers could be achieved on the second chiral column without matrix interference. Here, we present solventless concentration techniques for extraction of DDT from contaminated soil and air, and report enantiomeric fraction (EF) values of o,p'-DDT and o,p'-DDD obtained by a new multidimensional approach for heart-cut gas chromatographic fraction collection for off-line second dimension enantiomeric separation by (1)D GC-TOFMS of selected isomers. This multidimensional method is compared to the complementary technique of comprehensive GC×GC-TOFMS using the same enantioselective column, this time as the first dimension of separation. Copyright © 2012 Elsevier B.V. All rights reserved.

Dark texture in artworks

NASA Astrophysics Data System (ADS)

Parraman, Carinna

2012-01-01

This presentation highlights issues relating to the digital capture printing of 2D and 3D artefacts and accurate colour reproduction of 3D objects. There are a range of opportunities and technologies for the scanning and printing of two-dimensional and threedimensional artefacts [1]. A successful approach of Polynomial Texture Mapping (PTM) technique, to create a Reflectance Transformation Image (RTI) [2-4] is being used for the conservation and heritage of artworks as these methods are non invasive or non destructive of fragile artefacts. This approach captures surface detail of twodimensional artworks using a multidimensional approach that by using a hemispherical dome comprising 64 lamps to create an entire surface topography. The benefits of this approach are to provide a highly detailed visualization of the surface of materials and objects.

Structure Size Enhanced Histogram

NASA Astrophysics Data System (ADS)

Wesarg, Stefan; Kirschner, Matthias

Direct volume visualization requires the definition of transfer functions (TFs) for the assignment of opacity and color. Multi-dimensional TFs are based on at least two image properties, and are specified by means of 2D histograms. In this work we propose a new type of a 2D histogram which combines gray value with information about the size of the structures. This structure size enhanced (SSE) histogram is an intuitive approach for representing anatomical features. Clinicians — the users we are focusing on — are much more familiar with selecting features by their size than by their gradient magnitude value. As a proof of concept, we employ the SSE histogram for the definition of two-dimensional TFs for the visualization of 3D MRI and CT image data.

A velocity map imaging mass spectrometer for photofragments of fast ion beams

NASA Astrophysics Data System (ADS)

Johnston, M. David; Pearson, Wright L.; Wang, Greg; Metz, Ricardo B.

2018-01-01

We present the details of a fast ion velocity map imaging mass spectrometer that is capable of imaging the photofragments of trap-cooled (≥7 K) ions produced in a versatile ion source. The new instrument has been used to study the predissociation of N2O+ produced by electric discharge and the direct dissociation of Al2+ formed by laser ablation. The instrument's resolution is currently limited by the diameter of the collimating iris to a value of Δv/v = 7.6%. Photofragment images of N2O+ show that when the predissociative state is changed from 2Σ+(200) to 2Σ+(300) the dominant product channel shifts from a spin-forbidden ground state, N (4S) + NO+(v = 5), to a spin-allowed pathway, N*(2D) + NO+. The first photofragment images of Al2+ confirm the existence of a directly dissociative parallel transition (2Σ+u ← 2Σ+g) that yields products with a large amount of kinetic energy. D0 of ground state Al2+ (2Σ+g) measured from these images is 138 ± 5 kJ/mol, which is consistent with the published literature.

Scientific Visualization Tools for Enhancement of Undergraduate Research

NASA Astrophysics Data System (ADS)

Rodriguez, W. J.; Chaudhury, S. R.

2001-05-01

Undergraduate research projects that utilize remote sensing satellite instrument data to investigate atmospheric phenomena pose many challenges. A significant challenge is processing large amounts of multi-dimensional data. Remote sensing data initially requires mining; filtering of undesirable spectral, instrumental, or environmental features; and subsequently sorting and reformatting to files for easy and quick access. The data must then be transformed according to the needs of the investigation(s) and displayed for interpretation. These multidimensional datasets require views that can range from two-dimensional plots to multivariable-multidimensional scientific visualizations with animations. Science undergraduate students generally find these data processing tasks daunting. Generally, researchers are required to fully understand the intricacies of the dataset and write computer programs or rely on commercially available software, which may not be trivial to use. In the time that undergraduate researchers have available for their research projects, learning the data formats, programming languages, and/or visualization packages is impractical. When dealing with large multi-dimensional data sets appropriate Scientific Visualization tools are imperative in allowing students to have a meaningful and pleasant research experience, while producing valuable scientific research results. The BEST Lab at Norfolk State University has been creating tools for multivariable-multidimensional analysis of Earth Science data. EzSAGE and SAGE4D have been developed to sort, analyze and visualize SAGE II (Stratospheric Aerosol and Gas Experiment) data with ease. Three- and four-dimensional visualizations in interactive environments can be produced. EzSAGE provides atmospheric slices in three-dimensions where the researcher can change the scales in the three-dimensions, color tables and degree of smoothing interactively to focus on particular phenomena. SAGE4D provides a navigable four-dimensional interactive environment. These tools allow students to make higher order decisions based on large multidimensional sets of data while diminishing the level of frustration that results from dealing with the details of processing large data sets.

Proceedings of Colloquium on Stable Solutions of Some Ill-Posed Problems, October 9, 1979.

DTIC Science & Technology

1980-06-30

4. In (24] iterative process (9) was applied for calculation of the magnetization of thin magnetic films . This problem is of interest for computer...equation fl I (x-t) -f(t) = g(x), x > 1. (i) Its multidimensional analogue fmX-tK-if(t)dt = g(x), xEA, AnD (2) can be intepreted as the problem of

Pair spectrometer hodoscope for Hall D at Jefferson Lab

DOE PAGES

Barbosa, Fernando J.; Hutton, Charles L.; Sitnikov, Alexandre; ...

2015-09-21

We present the design of the pair spectrometer hodoscope fabricated at Jefferson Lab and installed in the experimental Hall D. The hodoscope consists of thin scintillator tiles; the light from each tile is collected using wave-length shifting fibers and detected using a Hamamatsu silicon photomultiplier. Light collection was measured using relativistic electrons produced in the tagger area of the experimental Hall B.

Pair spectrometer hodoscope for Hall D at Jefferson Lab

DOE Office of Scientific and Technical Information (OSTI.GOV)

Barbosa, Fernando J.; Hutton, Charles L.; Sitnikov, Alexandre

We present the design of the pair spectrometer hodoscope fabricated at Jefferson Lab and installed in the experimental Hall D. The hodoscope consists of thin scintillator tiles; the light from each tile is collected using wave-length shifting fibers and detected using a Hamamatsu silicon photomultiplier. Light collection was measured using relativistic electrons produced in the tagger area of the experimental Hall B.

Dual Ion Spectrometers and Their Calibration for the Fast Plasma Investigation on NASA's Magnetospheric Multiscale Mission

NASA Technical Reports Server (NTRS)

Coffey, V. N.; Chandler, M. O.

2017-01-01

The scientific target of NASA's Magnetospheric Multiscale (MMS) mission is to study the fundamentally important phenomenon of magnetic reconnection. Theoretical models of this process predict a small size, on the order of hundred kilometers, for the ion diffusion region where ions are demagnetized at the dayside magnetopause. This region may typically sweep over the spacecraft at relatively high speeds of 50 km/s, requiring the fast plasma investigation (FPI) instrument suite to have an extremely high time resolution for measurements of the 3D particle distribution functions. As part of the FPI on MMS, the 16 dual ion spectrometers (DIS) will provide fast (150 ms) 3D ion velocity distributions, from 10 to 30,000 eV/q, by combining the measurements from four dual spectrometers on each of four MMS spacecraft. For any multispacecraft mission, the response uniformity among the spectrometer set assumes an enhanced importance. Due to these demanding instrument requirements and the effort of calibrating more than 32 sensors (16 × 2) within a tight schedule, a highly systematic and precise calibration was required for measurement repeatability. To illustrate how this challenge was met, a brief overview of the FPI DIS was presented with a detailed discussion of the calibration method of approach and implementation. Finally, a discussion of DIS performance results, their unit-to-unit variation, and the lessons learned from this calibration effort are presented.

Single-Crystal Bismuth Iodide Gamma-Ray Spectrometers

DTIC Science & Technology

2012-02-01

the density of the crystal (g/cm\\ M is the molecular weight of the vapor (g/mole), and R is the gas constant (cai/(K·mole)). Equation (6) indicates...along the vertical axis with a fixed rate. This simulated the downward movement of the ampoule in the conventional vertical Bridgman method. The...3cl512 1.03 4512 4.6 961 Pd Pd3d 336.5 Pd 3d512 1.03 6796 4.6 1477 Pdb N3d 340.3 Pd 3d3J2 1.03 2978 4.6 647 Pd Pd3d 341.7 Pd 3d3J2 1.03 4486 4.6 975

A 3D finite element ALE method using an approximate Riemann solution

DOE PAGES

Chiravalle, V. P.; Morgan, N. R.

2016-08-09

Arbitrary Lagrangian–Eulerian finite volume methods that solve a multidimensional Riemann-like problem at the cell center in a staggered grid hydrodynamic (SGH) arrangement have been proposed. This research proposes a new 3D finite element arbitrary Lagrangian–Eulerian SGH method that incorporates a multidimensional Riemann-like problem. Here, two different Riemann jump relations are investigated. A new limiting method that greatly improves the accuracy of the SGH method on isentropic flows is investigated. A remap method that improves upon a well-known mesh relaxation and remapping technique in order to ensure total energy conservation during the remap is also presented. Numerical details and test problemmore » results are presented.« less

A 3D finite element ALE method using an approximate Riemann solution

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chiravalle, V. P.; Morgan, N. R.

Arbitrary Lagrangian–Eulerian finite volume methods that solve a multidimensional Riemann-like problem at the cell center in a staggered grid hydrodynamic (SGH) arrangement have been proposed. This research proposes a new 3D finite element arbitrary Lagrangian–Eulerian SGH method that incorporates a multidimensional Riemann-like problem. Here, two different Riemann jump relations are investigated. A new limiting method that greatly improves the accuracy of the SGH method on isentropic flows is investigated. A remap method that improves upon a well-known mesh relaxation and remapping technique in order to ensure total energy conservation during the remap is also presented. Numerical details and test problemmore » results are presented.« less

'Berries' on the Ground 2 (3-D)

NASA Technical Reports Server (NTRS)

2004-01-01

This is the 3-D anaglyph showing a microscopic image taken of soil featuring round, blueberry-shaped rock formations on the crater floor at Meridiani Planum, Mars. This image was taken on the 13th day of the Mars Exploration Rover Opportunity's journey, before the Moessbauer spectrometer, an instrument located on the rover's instrument deployment device, or 'arm,' was pressed down to take measurements. The area in this image is approximately 3 centimeters (1.2 inches) across.

Automated Generation of 3D Volcanic Gas Plume Models for Geobrowsers

NASA Astrophysics Data System (ADS)

Wright, T. E.; Burton, M.; Pyle, D. M.

2007-12-01

A network of five UV spectrometers on Etna automatically gathers column amounts of SO2 during daylight hours. Near-simultaneous scans from adjacent spectrometers, comprising 210 column amounts in total, are then converted to 2D slices showing the spatial distribution of the gas by tomographic reconstruction. The trajectory of the plume is computed using an automatically-submitted query to NOAA's HYSPLIT Trajectory Model. This also provides local estimates of air temperature, which are used to determine the atmospheric stability and therefore the degree to which the plume is dispersed by turbulence. This information is sufficient to construct an animated sequence of models which show how the plume is advected and diffused over time. These models are automatically generated in the Collada Digital Asset Exchange format and combined into a single file which displays the evolution of the plume in Google Earth. These models are useful for visualising and predicting the shape and distribution of the plume for civil defence, to assist field campaigns and as a means of communicating some of the work of volcano observatories to the public. The Simultaneous Algebraic Reconstruction Technique is used to create the 2D slices. This is a well-known method, based on iteratively updating a forward model (from 2D distribution to column amounts). Because it is based on a forward model, it also provides a simple way to quantify errors.

Open framework for management and processing of multi-modality and multidimensional imaging data for analysis and modelling muscular function

NASA Astrophysics Data System (ADS)

García Juan, David; Delattre, Bénédicte M. A.; Trombella, Sara; Lynch, Sean; Becker, Matthias; Choi, Hon Fai; Ratib, Osman

2014-03-01

Musculoskeletal disorders (MSD) are becoming a big healthcare economical burden in developed countries with aging population. Classical methods like biopsy or EMG used in clinical practice for muscle assessment are invasive and not accurately sufficient for measurement of impairments of muscular performance. Non-invasive imaging techniques can nowadays provide effective alternatives for static and dynamic assessment of muscle function. In this paper we present work aimed toward the development of a generic data structure for handling n-dimensional metabolic and anatomical data acquired from hybrid PET/MR scanners. Special static and dynamic protocols were developed for assessment of physical and functional images of individual muscles of the lower limb. In an initial stage of the project a manual segmentation of selected muscles was performed on high-resolution 3D static images and subsequently interpolated to full dynamic set of contours from selected 2D dynamic images across different levels of the leg. This results in a full set of 4D data of lower limb muscles at rest and during exercise. These data can further be extended to a 5D data by adding metabolic data obtained from PET images. Our data structure and corresponding image processing extension allows for better evaluation of large volumes of multidimensional imaging data that are acquired and processed to generate dynamic models of the moving lower limb and its muscular function.

Orphan spin operators enable the acquisition of multiple 2D and 3D magic angle spinning solid-state NMR spectra

NASA Astrophysics Data System (ADS)

Gopinath, T.; Veglia, Gianluigi

2013-05-01

We propose a general method that enables the acquisition of multiple 2D and 3D solid-state NMR spectra for U-13C, 15N-labeled proteins. This method, called MEIOSIS (Multiple ExperIments via Orphan SpIn operatorS), makes it possible to detect four coherence transfer pathways simultaneously, utilizing orphan (i.e., neglected) spin operators of nuclear spin polarization generated during 15N-13C cross polarization (CP). In the MEIOSIS experiments, two phase-encoded free-induction decays are decoded into independent nuclear polarization pathways using Hadamard transformations. As a proof of principle, we show the acquisition of multiple 2D and 3D spectra of U-13C, 15N-labeled microcrystalline ubiquitin. Hadamard decoding of CP coherences into multiple independent spin operators is a new concept in solid-state NMR and is extendable to many other multidimensional experiments. The MEIOSIS method will increase the throughput of solid-state NMR techniques for microcrystalline proteins, membrane proteins, and protein fibrils.

a KA-BAND Chirped-Pulse Fourier Transform Microwave Spectrometer.

NASA Astrophysics Data System (ADS)

Zaleski, Daniel P.; Neill, Justin L.; Muckle, Matthew T.; Pate, Brooks H.; Carroll, P. Brandon; Weaver, Susanna L. Widicus

2010-06-01

The design and performance of a new chirped-pulse Fourier transform microwave (CP-FTMW) spectrometer operating from 25-40 GHz will be discussed. A 10.5-3 GHz linear frequency sweep, generated by a 24 GS/s arbitrary waveform generator, is upconverted by a 23.00 GHz phase-locked oscillator, then fed into an active doubler to create a 25-40 GHz chirped pulse. After amplification with a 60-80 W pulsed traveling wave tube amplifier, the pulse is broadcast across a molecular beam chamber where it interacts with a molecular sample. The molecular FID signal is downconverted with the 23 GHz oscillator so that it can be digitized on a 50 GS/s oscilloscope with 16 GHz hardware bandwidth. The sensitivity and phase stability of this spectrometer is comparable to that of the previously reported 6.5-18.5 CP-FTMW spectrometer. On propyne (μ=0.78 D), a single-shot signal to noise ratio of approximately 200:1 is observed on the J=2-1 rotational transition at 34183 MHz when the full bandwidth is swept; optimal excitation is observed for this transition with a 250 MHz bandwidth sweep. The emission has a T_2 lifetime of 4 μs. Early results from this spectrometer, particularly in the study of species of astrochemical interest, will be presented. G.G. Brown et al., Rev. Sci. Instrum. 79 (2008) 053103.

SUPREM-DSMC: A New Scalable, Parallel, Reacting, Multidimensional Direct Simulation Monte Carlo Flow Code

NASA Technical Reports Server (NTRS)

Campbell, David; Wysong, Ingrid; Kaplan, Carolyn; Mott, David; Wadsworth, Dean; VanGilder, Douglas

2000-01-01

An AFRL/NRL team has recently been selected to develop a scalable, parallel, reacting, multidimensional (SUPREM) Direct Simulation Monte Carlo (DSMC) code for the DoD user community under the High Performance Computing Modernization Office (HPCMO) Common High Performance Computing Software Support Initiative (CHSSI). This paper will introduce the JANNAF Exhaust Plume community to this three-year development effort and present the overall goals, schedule, and current status of this new code.

Ammonia concentration distribution measurements in the exhaust of a heavy duty diesel engine based on limited data absorption tomography.

PubMed

Stritzke, Felix; van der Kley, Sani; Feiling, Alexander; Dreizler, Andreas; Wagner, Steven

2017-04-03

A multichannel tunable diode laser absorption spectrometer is used to measure absolute ammonia concentrations and their distributions in exhaust gas applications with intense CO₂ and H₂O background. Designed for in situ diagnostics in SCR after treatment systems with temperatures up to 800 K, the system employs a fiber coupled near-infrared distributed feedback diode laser. With the laser split into eight coplanar beams crossing the exhaust pipe, the sensor provides eight concentration measurements simultaneously. Three ammonia ro-vibrational transitions coinciding near 2200.5 nm with rather weak temperature dependency and negligible CO₂/H₂O interference were probed during the measurements. The line-of-sight averaged channel concentrations are transformed into 2-D ammonia distributions using limited data IR species tomography based on Tikhonov regularization. This spectrometer was successfully applied in the exhaust system of a 340 kW heavy duty diesel engine operated without oxidation catalyst or particulate filter. In this harsh environment the multi-channel sensor achieved single path ammonia detection limits of 25 to 80 ppm_V with a temporal resolution of 1 Hz whereas, while operated as a single-channel sensor, these characteristics improved to 10 ppm_V and 100 Hz. Spatial averaging of the reconstructed 2-D ammonia distributions shows good agreement to cross-sectional extractive measurements. In contrast to extractive methods more information about spatial inhomogeneities and transient operating conditions can be derived from the new spectrometer.

Optical Materials Characterization, Final Technical Report February 1, 1978-September 30, 1978

DTIC Science & Technology

1979-02-01

FIGURES PAGE Figure 1. (a) Schematic of spectrometer used for visible region refractometry . (b) Schematic of spectrometer used for non-,visible...region refractometry . Symbols: A = source, B = divided circle, C = prism table, D = collimator, E = telescope, F = collimating mirror, G = movable... refractometry . (b) Schematic of spectrometer used for non- visible region refractometry . Symbols: A = source, B = divided circle, C = prism table

RER SPECTRA OBTAINED WITH A MULTICRYSTAL SPECTROMETER

DOE Office of Scientific and Technical Information (OSTI.GOV)

Austin, W.E.; Champion, W.R.

1959-11-01

Relative gamma spectra were obtained twenty feet from the Hadiation Effects Reactor. The measurements were made using a multicry-stal spectrometer. This design incorporates pair and anticompton spectrometers in combination. Two reactor configurations were used; with shield tanks empty- and water filled. The spectra were obtained before the fuel elements were run at high power. Consequently very little of the fission product spectrum is tntermined. (J.R.D.)

Rocket-borne time-of-flight mass spectrometry

NASA Technical Reports Server (NTRS)

Reiter, R. F.

1976-01-01

Theoretical and numerical analyses are made of planar, cylindrical and spherical-electrode two-field time-of-flight mass spectrometers in order to optimize their operating conditions. A method is introduced which can improve the resolving power of these instruments by a factor of 7.5. Potential barrier gating in time-of-flight mass spectrometers is also analyzed. Experimental studies of a miniature cylindrical-electrode and a hemispherical-electrode time-of-flight mass spectrometer are presented. Their sensitivity and ability to operate at D-region pressures with an open source make them ideal instruments for D-region ion composition measurements. A sounding rocket experiment package carrying a cylindrical electrode time-of-flight mass spectrometer was launched. The data indicate that essentially 100% of the positive electric charge on positive ions is carried by ions with mass-to-charge ratios greater than 500 below an altitude of 92 km. These heavy charge carriers were present at altitudes up to about 100 km.

The Millimeterwave Spectrum of Four Rare Ketene Isotopomers

NASA Astrophysics Data System (ADS)

Guarnieri, Antonio

2005-09-01

The pure rotational spectra in the ground vibrational state of (1,2-13C)ketene, H213C=13CO, (D2,1-13C)ketene, D2C=13CO, (D2,2-13C)ketene, D213C=CO, and (D2,18O)ketene, D2C=C18O, have been observed in the frequency region 200 - 350 GHz. All the spectral lines have been measured in natural abundances with a source modulated millimeterwave spectrometer. From the measured R-branch transitions a set of rotational and centrifugal distortion constants for each isotopomer could be derived, using the Watson S-reduction formalism. Further, the rotational spectra of the two isotopomers (4,5-D)ketene, D2CCO, and (4-D)ketene, DHCCO, which were already measured several years ago, have been extended to higher J-values and higher frequencies, as it is the case for all investigated isotopomers of this work. As a result of these studies a calculation of a mass-dependent structure will be the topic of a next paper.

Multidimensional assessment of awareness in early-stage dementia: a cluster analytic approach.

PubMed

Clare, Linda; Whitaker, Christopher J; Nelis, Sharon M; Martyr, Anthony; Markova, Ivana S; Roth, Ilona; Woods, Robert T; Morris, Robin G

2011-01-01

Research on awareness in dementia has yielded variable and inconsistent associations between awareness and other factors. This study examined awareness using a multidimensional approach and applied cluster analytic techniques to identify associations between the level of awareness and other variables. Participants were 101 individuals with early-stage dementia (PwD) and their carers. Explicit awareness was assessed at 3 levels: performance monitoring in relation to memory, evaluative judgement in relation to memory, everyday activities and socio-emotional functioning, and metacognitive reflection in relation to the experience and impact of the condition. Implicit awareness was assessed with an emotional Stroop task. Different measures of explicit awareness scores were related only to a limited extent. Cluster analysis yielded 3 groups with differing degrees of explicit awareness. These groups showed no differences in implicit awareness. Lower explicit awareness was associated with greater age, lower MMSE scores, poorer recall and naming scores, lower anxiety and greater carer stress. Multidimensional assessment offers a more robust approach to classifying PwD according to level of awareness and hence to examining correlates and predictors of awareness. Copyright © 2011 S. Karger AG, Basel.

Chemistry and Transport in a Multi-Dimensional Model

NASA Technical Reports Server (NTRS)

Yung, Yuk L.

2004-01-01

Our work has two primary scientific goals, the interannual variability (IAV) of stratospheric ozone and the hydrological cycle of the upper troposphere and lower stratosphere. Our efforts are aimed at integrating new information obtained by spacecraft and aircraft measurements to achieve a better understanding of the chemical and dynamical processes that are needed for realistic evaluations of human impact on the global environment. A primary motivation for studying the ozone layer is to separate the anthropogenic perturbations of the ozone layer from natural variability. Using the recently available merged ozone data (MOD), we have carried out an empirical orthogonal function EOF) study of the temporal and spatial patterns of the IAV of total column ozone in the tropics. The outstanding problem about water in the stratosphere is its secular increase in the last few decades. The Caltech/PL multi-dimensional chemical transport model (CTM) photochemical model is used to simulate the processes that control the water vapor and its isotopic composition in the stratosphere. Datasets we will use for comparison with model results include those obtained by the Total Ozone Mapping Spectrometer (TOMS), the Solar Backscatter Ultraviolet (SBUV and SBUV/2), Stratosphere Aerosol and Gas Experiment (SAGE I and II), the Halogen Occultation Experiment (HALOE), the Atmospheric Trace Molecular Spectroscopy (ATMOS) and those soon to be obtained by the Cirrus Regional Study of Tropical Anvils and Cirrus Layers Florida Area Cirrus Experiment (CRYSTAL-FACE) mission. The focus of the investigations is the exchange between the stratosphere and the troposphere, and between the troposphere and the biosphere.

Overview of NASA Multi-dimensional Stirling Convertor Code Development and Validation Effort

NASA Technical Reports Server (NTRS)

Tew, Roy C.; Cairelli, James E.; Ibrahim, Mounir B.; Simon, Terrence W.; Gedeon, David

2002-01-01

A NASA grant has been awarded to Cleveland State University (CSU) to develop a multi-dimensional (multi-D) Stirling computer code with the goals of improving loss predictions and identifying component areas for improvements. The University of Minnesota (UMN) and Gedeon Associates are teamed with CSU. Development of test rigs at UMN and CSU and validation of the code against test data are part of the effort. The one-dimensional (1-D) Stirling codes used for design and performance prediction do not rigorously model regions of the working space where abrupt changes in flow area occur (such as manifolds and other transitions between components). Certain hardware experiences have demonstrated large performance gains by varying manifolds and heat exchanger designs to improve flow distributions in the heat exchangers. 1-D codes were not able to predict these performance gains. An accurate multi-D code should improve understanding of the effects of area changes along the main flow axis, sensitivity of performance to slight changes in internal geometry, and, in general, the understanding of various internal thermodynamic losses. The commercial CFD-ACE code has been chosen for development of the multi-D code. This 2-D/3-D code has highly developed pre- and post-processors, and moving boundary capability. Preliminary attempts at validation of CFD-ACE models of MIT gas spring and "two space" test rigs were encouraging. Also, CSU's simulations of the UMN oscillating-flow fig compare well with flow visualization results from UMN. A complementary Department of Energy (DOE) Regenerator Research effort is aiding in development of regenerator matrix models that will be used in the multi-D Stirling code. This paper reports on the progress and challenges of this

Digital imaging mass spectrometry.

PubMed

Bamberger, Casimir; Renz, Uwe; Bamberger, Andreas

2011-06-01

Methods to visualize the two-dimensional (2D) distribution of molecules by mass spectrometric imaging evolve rapidly and yield novel applications in biology, medicine, and material surface sciences. Most mass spectrometric imagers acquire high mass resolution spectra spot-by-spot and thereby scan the object's surface. Thus, imaging is slow and image reconstruction remains cumbersome. Here we describe an imaging mass spectrometer that exploits the true imaging capabilities by ion optical means for the time of flight mass separation. The mass spectrometer is equipped with the ASIC Timepix chip as an array detector to acquire the position, mass, and intensity of ions that are imaged by matrix-assisted laser desorption/ionization (MALDI) directly from the target sample onto the detector. This imaging mass spectrometer has a spatial resolving power at the specimen of (84 ± 35) μm with a mass resolution of 45 and locates atoms or organic compounds on a surface area up to ~2 cm(2). Extended laser spots of ~5 mm(2) on structured specimens allows parallel imaging of selected masses. The digital imaging mass spectrometer proves high hit-multiplicity, straightforward image reconstruction, and potential for high-speed readout at 4 kHz or more. This device demonstrates a simple way of true image acquisition like a digital photographic camera. The technology may enable a fast analysis of biomolecular samples in near future.

French comparison exercise with the rotating neutron spectrometer, 'ROSPEC'.

PubMed

Crovisier, P; Asselineau, B; Pelcot, G; Van-Ryckeghem, L; Cadiou, A; Truffert, H; Groetz, J E; Benmosbah, M

2005-01-01

The French laboratories in charge of 'neutron' dosimetry using the spectrometer 'ROSPEC', formed a working group in 2001. The participants began to study the behaviour of the instrument with a comparison exercise in broad energy neutron fields recommended by the International Organisation for Standardisation (ISO) and available at the LMDN in Cadarache. The complete version of the ROSPEC is made up of six spherical proportional counters fixed to a rotating platform. These counters cover different energy ranges which overlap each other to provide a link between the detectors, within the energy range from thermal neutrons to 4.5 MeV. The irradiation configurations chosen were ISO standard sources (252Cf, (252Cf+D2O)(/Cd), 241Am-Be) and the SIGMA facility. The results show that the 'thermal and epithermal' neutron fluence was widely overestimated by the spectrometer in all configurations.

Time-resolved EPR spectroscopy in a Unix environment.

PubMed

Lacoff, N M; Franke, J E; Warden, J T

1990-02-01

A computer-aided time-resolved electron paramagnetic resonance (EPR) spectrometer implemented under version 2.9 BSD Unix was developed by interfacing a Varian E-9 EPR spectrometer and a Biomation 805 waveform recorder to a PDP-11/23A minicomputer having MINC A/D and D/A capabilities. Special problems with real-time data acquisition in a multiuser, multitasking Unix environment, addressing of computer main memory for the control of hardware devices, and limitation of computer main memory were resolved, and their solutions are presented. The time-resolved EPR system and the data acquisition and analysis programs, written entirely in C, are described. Furthermore, the benefits of utilizing the Unix operating system and the C language are discussed, and system performance is illustrated with time-resolved EPR spectra of the reaction center cation in photosystem 1 of green plant photosynthesis.

Development of a spatially resolving x-ray crystal spectrometer for measurement of ion-temperature (T(i)) and rotation-velocity (v) profiles in ITER.

PubMed

Hill, K W; Bitter, M; Delgado-Aparicio, L; Johnson, D; Feder, R; Beiersdorfer, P; Dunn, J; Morris, K; Wang, E; Reinke, M; Podpaly, Y; Rice, J E; Barnsley, R; O'Mullane, M; Lee, S G

2010-10-01

Imaging x-ray crystal spectrometer (XCS) arrays are being developed as a US-ITER activity for Doppler measurement of T(i) and v profiles of impurities (W, Kr, and Fe) with ∼7 cm (a/30) and 10-100 ms resolution in ITER. The imaging XCS, modeled after a prototype instrument on Alcator C-Mod, uses a spherically bent crystal and 2D x-ray detectors to achieve high spectral resolving power (E/dE>6000) horizontally and spatial imaging vertically. Two arrays will measure T(i) and both poloidal and toroidal rotation velocity profiles. The measurement of many spatial chords permits tomographic inversion for the inference of local parameters. The instrument design, predictions of performance, and results from C-Mod are presented.

Application of the Allan Variance to Time Series Analysis in Astrometry and Geodesy: A Review.

PubMed

Malkin, Zinovy

2016-04-01

The Allan variance (AVAR) was introduced 50 years ago as a statistical tool for assessing the frequency standards deviations. For the past decades, AVAR has increasingly been used in geodesy and astrometry to assess the noise characteristics in geodetic and astrometric time series. A specific feature of astrometric and geodetic measurements, as compared with clock measurements, is that they are generally associated with uncertainties; thus, an appropriate weighting should be applied during data analysis. In addition, some physically connected scalar time series naturally form series of multidimensional vectors. For example, three station coordinates time series X, Y, and Z can be combined to analyze 3-D station position variations. The classical AVAR is not intended for processing unevenly weighted and/or multidimensional data. Therefore, AVAR modifications, namely weighted AVAR (WAVAR), multidimensional AVAR (MAVAR), and weighted multidimensional AVAR (WMAVAR), were introduced to overcome these deficiencies. In this paper, a brief review is given of the experience of using AVAR and its modifications in processing astrogeodetic time series.

A Multidimensional Ideal Point Item Response Theory Model for Binary Data.

PubMed

Maydeu-Olivares, Albert; Hernández, Adolfo; McDonald, Roderick P

2006-12-01

We introduce a multidimensional item response theory (IRT) model for binary data based on a proximity response mechanism. Under the model, a respondent at the mode of the item response function (IRF) endorses the item with probability one. The mode of the IRF is the ideal point, or in the multidimensional case, an ideal hyperplane. The model yields closed form expressions for the cell probabilities. We estimate and test the goodness of fit of the model using only information contained in the univariate and bivariate moments of the data. Also, we pit the new model against the multidimensional normal ogive model estimated using NOHARM in four applications involving (a) attitudes toward censorship, (b) satisfaction with life, (c) attitudes of morality and equality, and (d) political efficacy. The normal PDF model is not invariant to simple operations such as reverse scoring. Thus, when there is no natural category to be modeled, as in many personality applications, it should be fit separately with and without reverse scoring for comparisons.

ComVisMD - compact visualization of multidimensional data: experimenting with cricket players data

NASA Astrophysics Data System (ADS)

Dandin, Shridhar B.; Ducassé, Mireille

2018-03-01

Database information is multidimensional and often displayed in tabular format (row/column display). Presented in aggregated form, multidimensional data can be used to analyze the records or objects. Online Analytical database Processing (OLAP) proposes mechanisms to display multidimensional data in aggregated forms. A choropleth map is a thematic map in which areas are colored in proportion to the measurement of a statistical variable being displayed, such as population density. They are used mostly for compact graphical representation of geographical information. We propose a system, ComVisMD inspired by choropleth map and the OLAP cube to visualize multidimensional data in a compact way. ComVisMD displays multidimensional data like OLAP Cube, where we are mapping an attribute a (first dimension, e.g. year started playing cricket) in vertical direction, object coloring based on b (second dimension, e.g. batting average), mapping varying-size circles based on attribute c (third dimension, e.g. highest score), mapping numbers based on attribute d (fourth dimension, e.g. matches played). We illustrate our approach on cricket players data, namely on two tables Country and Player. They have a large number of rows and columns: 246 rows and 17 columns for players of one country. ComVisMD’s visualization reduces the size of the tabular display by a factor of about 4, allowing users to grasp more information at a time than the bare table display.

Real-time analysis of δ13C- and δD-CH4 in ambient air with laser spectroscopy: method development and first intercomparison results

NASA Astrophysics Data System (ADS)

Eyer, S.; Tuzson, B.; Popa, M. E.; van der Veen, C.; Röckmann, T.; Rothe, M.; Brand, W. A.; Fisher, R.; Lowry, D.; Nisbet, E. G.; Brennwald, M. S.; Harris, E.; Zellweger, C.; Emmenegger, L.; Fischer, H.; Mohn, J.

2015-08-01

In situ and simultaneous measurement of the three most abundant isotopologues of methane using mid-infrared laser absorption spectroscopy is demonstrated. A field-deployable, autonomous platform is realized by coupling a compact quantum cascade laser absorption spectrometer (QCLAS) to a preconcentration unit, called TRace gas EXtractor (TREX). This unit enhances CH4 mole fractions by a factor of up to 500 above ambient levels and quantitatively separates interfering trace gases such as N2O and CO2. The analytical precision of the QCLAS isotope measurement on the preconcentrated (750 ppm, parts-per-million, μmole/mole) methane is 0.1 and 0.5 ‰ for δ13C- and δD-CH4 at 10 min averaging time. Based on replicate measurements of compressed air during a two-week intercomparison campaign, the repeatability of the TREX-QCLAS was determined to be 0.19 and 1.9 ‰ for δ13C and δD-CH4, respectively. In this intercomparison campaign the new in situ technique is compared to isotope-ratio mass-spectrometry (IRMS) based on glass flask and bag sampling and real time CH4 isotope analysis by two commercially available laser spectrometers. Both laser-based analyzers were limited to methane mole fraction and δ13C-CH4 analysis, and only one of them, a cavity ring down spectrometer, was capable to deliver meaningful data for the isotopic composition. After correcting for scale offsets, the average difference between TREX-QCLAS data and bag/flask sampling-IRMS values are within the extended WMO compatibility goals of 0.2 and 5 ‰ for δ13C- and δD-CH4, respectively. Thus, the intercomparison also reveals the need for reference air samples with accurately determined isotopic composition of CH4 to further improve the interlaboratory compatibility.

Multidimensional effects in nonadiabatic statistical theories of spin- forbidden kinetics. A case study of 3O + CO → CO 2

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jasper, Ahren

2015-04-14

The appropriateness of treating crossing seams of electronic states of different spins as nonadiabatic transition states in statistical calculations of spin-forbidden reaction rates is considered. We show that the spin-forbidden reaction coordinate, the nuclear coordinate perpendicular to the crossing seam, is coupled to the remaining nuclear degrees of freedom. We found that this coupling gives rise to multidimensional effects that are not typically included in statistical treatments of spin-forbidden kinetics. Three qualitative categories of multidimensional effects may be identified: static multidimensional effects due to the geometry-dependence of the local shape of the crossing seam and of the spin–orbit coupling, dynamicalmore » multidimensional effects due to energy exchange with the reaction coordinate during the seam crossing, and nonlocal(history-dependent) multidimensional effects due to interference of the electronic variables at second, third, and later seam crossings. Nonlocal multidimensional effects are intimately related to electronic decoherence, where electronic dephasing acts to erase the history of the system. A semiclassical model based on short-time full-dimensional trajectories that includes all three multidimensional effects as well as a model for electronic decoherence is presented. The results of this multidimensional nonadiabatic statistical theory (MNST) for the 3O + CO → CO 2 reaction are compared with the results of statistical theories employing one-dimensional (Landau–Zener and weak coupling) models for the transition probability and with those calculated previously using multistate trajectories. The MNST method is shown to accurately reproduce the multistate decay-of-mixing trajectory results, so long as consistent thresholds are used. Furthermore, the MNST approach has several advantages over multistate trajectory approaches and is more suitable in chemical kinetics calculations at low temperatures and for complex systems. The error in statistical calculations that neglect multidimensional effects is shown to be as large as a factor of 2 for this system, with static multidimensional effects identified as the largest source of error.« less

Simplified and economical 2D IR spectrometer design using a dual acousto-optic modulator

PubMed Central

Skoff, David R.; Laaser, Jennifer E.; Mukherjee, Sudipta S.; Middleton, Chris T.; Zanni, Martin T.

2012-01-01

Over the last decade two-dimensional infrared (2D IR) spectroscopy has proven to be a very useful extension of infrared spectroscopy, yet the technique remains restricted to a small group of specialized researchers because of its experimental complexity and high equipment cost. We report on a spectrometer that is compact, mechanically robust, and is much less expensive than previous designs because it uses a single pixel MCT detector rather than an array detector. Moreover, each axis of the spectrum can be collected in either the time or frequency domain via computer programming. We discuss pulse sequences for scanning the probe axis, which were not previously possible. We present spectra on metal carbonyl compounds at 5 µm and a model peptide at 6 µm. Data collection with a single pixel MCT takes longer than using an array detector, but publishable quality data are still achieved with only a few minutes of averaging. PMID:24659850

Exactly Solvable Multidimensional Nonlinear Equations and Inverse Scattering,

DTIC Science & Technology

1986-12-01

time dimension. Here the prototype euQation is 1 the Kadomtsev - Petviashvili (K-P) equation : .0 6u , x , x - )3,:’u ,’ which is the cop,patliil ity...AD-R193 274 EXACTLY SOLVABLE MULTIDIMENSIONAL NONLINEAR EQUATIONS L/1 AND INVERSE SCATTERING(U) CLARKSON UNIV POTSDAM MY A J MBLOUITZ DEC 86 NSOSI4...ecuations by associating thnm with appropriate compatible linear equations , -ne of which is identified as a Scattering prooD,, ne others(s) serves to

Case study research: training interdisciplinary engineers with context-dependent knowledge

NASA Astrophysics Data System (ADS)

Chanan, Amit; Vigneswaran, Saravanamuth; Kandasamy, Jaya

2012-03-01

It is now widely acknowledged that water management discipline is transforming, from being a public health and flood prevention challenge of the nineteenth century to a multi-dimensional challenge of water security for the twenty-first century. In order to train water engineers to be capable of working with this holistic multi-dimensional approach, a new paradigm in engineering education is required. Adjustments already made to undergraduate coursework are not enough; this new paradigm requires modifications to the PhD in engineering, with greater emphasis on interdisciplinary case study research. Such a change can deliver PhD graduates with both sufficient social and technical knowledge, who can then go on to become the hybrid lecturers crucially needed for training future water engineers.

A general description of detachment for multidimensional modelling of biofilms.

PubMed

Xavier, Joao de Bivar; Picioreanu, Cristian; van Loosdrecht, Mark C M

2005-09-20

A general method for describing biomass detachment in multidimensional biofilm modelling is introduced. Biomass losses from processes acting on the entire surface of the biofilm, such as erosion, are modelled using a continuous detachment speed function F(det). Discrete detachment events, i.e. sloughing, are implicitly derived from simulations. The method is flexible to allow F(det) to take several forms, including expressions dependent on any state variables such as the local biofilm density. This methodology for biomass detachment was integrated with multidimensional (2D and 3D) particle-based multispecies biofilm models by using a novel application of the level set method. Application of the method is illustrated by trends in the dynamics of biofilms structure and activity derived from simulations performed on a simple model considering uniform biomass (case study I) and a model discriminating biomass composition in heterotrophic active mass, extracellular polymeric substances (EPS) and inert mass (case study II). Results from case study I demonstrate the effect of applied detachment forces as a fundamental factor influencing steady-state biofilm activity and structure. Trends from experimental observations reported in literature were correctly described. For example, simulation results indicated that biomass sloughing is reduced when erosion forces are increased. Case study II illustrates the application of the detachment methodology to systems with non-uniform biomass composition. Simulations carried out at different bulk concentrations of substrate show changes in biofilm structure (in terms of shape, density and spatial distribution of biomass components) and activity (in terms of oxygen and substrate consumption) as a consequence of either oxygen-limited or substrate-limited growth. (c) 2005 Wiley Periodicals, Inc.

Relieving the cardiometabolic disease burden: a perspective on phytometabolite functional and chemical annotation for diabetes management.

PubMed

Janero, David R

2014-01-01

Type 2 diabetes (T2D) is both a complex, multifactorial disease state and an unsolved, intensifying public-health problem. To help reduce disease burden, some T2D patients have embraced plant-derived substances for use with - if not in place of - prescription medicines, a trend based mainly upon historical precedent and anecdotal observations of human health benefit. Preclinical research has emphasized phytometabolite interactions with purported T2D pathogenic targets and the effects of botanical preparations on experimental T2D symptomology as induced in laboratory animals. More holistic, systems-oriented profiling of phytochemicals with functional-biology, omics, and chemical-fingerprinting tools now appears necessary to increase our appreciation of phytometabolite actions potentially beneficial to the T2D patient. The resultant, multidimensional view of phytometabolite pharmacology should help provide a more rational basis for evaluating the potential of natural plant products as T2D pharmacotherapy. Such information may also help substantiate and legitimize (pre)clinical demonstrations of phytochemical health benefits, advance our understanding of T2D pathogenesis, and offer scope for better T2D medicines. Public-private partnerships are invoked for conducting this research with the ultimate aim of improving the global cardiometabolic profile.

Experimental implementations of 2D IR spectroscopy through a horizontal pulse shaper design and a focal plane array detector

PubMed Central

Ghosh, Ayanjeet; Serrano, Arnaldo L.; Oudenhoven, Tracey A.; Ostrander, Joshua S.; Eklund, Elliot C.; Blair, Alexander F.; Zanni, Martin T.

2017-01-01

Aided by advances in optical engineering, two-dimensional infrared spectroscopy (2D IR) has developed into a promising method for probing structural dynamics in biophysics and material science. We report two new advances for 2D IR spectrometers. First, we report a fully reflective and totally horizontal pulse shaper, which significantly simplifies alignment. Second, we demonstrate the applicability of mid-IR focal plane arrays (FPAs) as suitable detectors in 2D IR experiments. FPAs have more pixels than conventional linear arrays and can be used to multiplex optical detection. We simultaneously measure the spectra of a reference beam, which improves the signal-to-noise by a factor of 4; and two additional beams that are orthogonally polarized probe pulses for 2D IR anisotropy experiments. PMID:26907414

Assessing the Quality of PhD Dissertations. A Survey of External Committee Members

ERIC Educational Resources Information Center

Kyvik, Svein; Thune, Taran

2015-01-01

This article reports on a study of the quality assessment of doctoral dissertations, and asks whether examiner characteristics influence assessment of research quality in PhD dissertations. Utilising a multi-dimensional concept of quality of PhD dissertations, we look at differences in assessment of research quality, and particularly test whether…

Identification of market trends with string and D2-brane maps

NASA Astrophysics Data System (ADS)

Bartoš, Erik; Pinčák, Richard

2017-08-01

The multidimensional string objects are introduced as a new alternative for an application of string models for time series forecasting in trading on financial markets. The objects are represented by open string with 2-endpoints and D2-brane, which are continuous enhancement of 1-endpoint open string model. We show how new object properties can change the statistics of the predictors, which makes them the candidates for modeling a wide range of time series systems. String angular momentum is proposed as another tool to analyze the stability of currency rates except the historical volatility. To show the reliability of our approach with application of string models for time series forecasting we present the results of real demo simulations for four currency exchange pairs.

Temperature-Dependent Refractive Index Measurements of Caf2, Suprasil 3001, and S-FTM16 for the Euclid Near Infrared Spectrometer and Photometer

NASA Technical Reports Server (NTRS)

Leviton, Douglas B.; Miller, Kevin H.; Quijada, Manuel A.; Grupp, Frank D.

2015-01-01

Using the Cryogenic High Accuracy Refraction Measuring System (CHARMS) at NASA's Goddard Space Flight Center, we measured absolute refractive indices at temperatures from 100 to 310 K at wavelengths from 0.42 to 3.6 microns for CaF2, Suprasil 3001 fused silica, and S-FTM16 glass in support of lens designs for the Near Infrared Spectrometer and Photometer (NISP) for ESA's Euclid dark energy mission. We report absolute refractive index, dispersion (dn/d?), and thermo-optic coefficient (dn/dT) for these materials. In this study, materials from different melts were procured to understand index variability in each material. We provide temperature-dependent Sellmeier coefficients based on our data to allow accurate interpolation of index to other wavelengths and temperatures. For calcium fluoride (CaF2) and S-FTM16, we compare our current measurements with CHARMS measurements of these materials made in the recent past for other programs. We also compare Suprasil 3001's indices to those of other forms of fused silica we have measured in CHARMS.

Feedback-based, system-level properties of vertebrate-microbial interactions.

PubMed

Rivas, Ariel L; Jankowski, Mark D; Piccinini, Renata; Leitner, Gabriel; Schwarz, Daniel; Anderson, Kevin L; Fair, Jeanne M; Hoogesteijn, Almira L; Wolter, Wilfried; Chaffer, Marcelo; Blum, Shlomo; Were, Tom; Konah, Stephen N; Kempaiah, Prakash; Ong'echa, John M; Diesterbeck, Ulrike S; Pilla, Rachel; Czerny, Claus-Peter; Hittner, James B; Hyman, James M; Perkins, Douglas J

2013-01-01

Improved characterization of infectious disease dynamics is required. To that end, three-dimensional (3D) data analysis of feedback-like processes may be considered. To detect infectious disease data patterns, a systems biology (SB) and evolutionary biology (EB) approach was evaluated, which utilizes leukocyte data structures designed to diminish data variability and enhance discrimination. Using data collected from one avian and two mammalian (human and bovine) species infected with viral, parasite, or bacterial agents (both sensitive and resistant to antimicrobials), four data structures were explored: (i) counts or percentages of a single leukocyte type, such as lymphocytes, neutrophils, or macrophages (the classic approach), and three levels of the SB/EB approach, which assessed (ii) 2D, (iii) 3D, and (iv) multi-dimensional (rotating 3D) host-microbial interactions. In all studies, no classic data structure discriminated disease-positive (D+, or observations in which a microbe was isolated) from disease-negative (D-, or microbial-negative) groups: D+ and D- data distributions overlapped. In contrast, multi-dimensional analysis of indicators designed to possess desirable features, such as a single line of observations, displayed a continuous, circular data structure, whose abrupt inflections facilitated partitioning into subsets statistically significantly different from one another. In all studies, the 3D, SB/EB approach distinguished three (steady, positive, and negative) feedback phases, in which D- data characterized the steady state phase, and D+ data were found in the positive and negative phases. In humans, spatial patterns revealed false-negative observations and three malaria-positive data classes. In both humans and bovines, methicillin-resistant Staphylococcus aureus (MRSA) infections were discriminated from non-MRSA infections. More information can be extracted, from the same data, provided that data are structured, their 3D relationships are considered, and well-conserved (feedback-like) functions are estimated. Patterns emerging from such structures may distinguish well-conserved from recently developed host-microbial interactions. Applications include diagnosis, error detection, and modeling.

On operational flood forecasting system involving 1D/2D coupled hydraulic model and data assimilation

NASA Astrophysics Data System (ADS)

Barthélémy, S.; Ricci, S.; Morel, T.; Goutal, N.; Le Pape, E.; Zaoui, F.

2018-07-01

In the context of hydrodynamic modeling, the use of 2D models is adapted in areas where the flow is not mono-dimensional (confluence zones, flood plains). Nonetheless the lack of field data and the computational cost constraints limit the extensive use of 2D models for operational flood forecasting. Multi-dimensional coupling offers a solution with 1D models where the flow is mono-dimensional and with local 2D models where needed. This solution allows for the representation of complex processes in 2D models, while the simulated hydraulic state is significantly better than that of the full 1D model. In this study, coupling is implemented between three 1D sub-models and a local 2D model for a confluence on the Adour river (France). A Schwarz algorithm is implemented to guarantee the continuity of the variables at the 1D/2D interfaces while in situ observations are assimilated in the 1D sub-models to improve results and forecasts in operational mode as carried out by the French flood forecasting services. An implementation of the coupling and data assimilation (DA) solution with domain decomposition and task/data parallelism is proposed so that it is compatible with operational constraints. The coupling with the 2D model improves the simulated hydraulic state compared to a global 1D model, and DA improves results in 1D and 2D areas.

A new SO2 emissions budget for Anatahan volcano (Mariana Islands) based on ten years of satellite observations

NASA Astrophysics Data System (ADS)

McCormick, Brendan; Popp, Christoph; Andrews, Benjamin; Cottrell, Elizabeth

2015-04-01

Satellite remote sensing offers great potential for the study of sulphur dioxide (SO2) gas emissions from volcanoes worldwide. Anatahan is a remote volcano in the Mariana Islands, SW Pacific. Existing SO2 emissions data from Anatahan, from ground-based UV spectrometer measurements, place the volcano among the largest natural SO2 sources worldwide. However, these measurements are limited in number and only available from intervals of eruptive activity. Activity varies widely at Anatahan: over the past decade, records held in the Smithsonian Institution Global Volcanism Program Volcanoes of the World database describe the alternation of intense eruptions with long intervals of quiescence, where much lower intensity activity took place. We present ten years of satellite-based measurements of SO2 in the atmosphere over Anatahan, using data from the UV spectrometers OMI, GOME-2, and SCIAMACHY, and the IR spectrometer AIRS. We find Anatahan's emissions to be highly variable both within and between intervals of eruption and quiescence. We demonstrate a close agreement between trends in SO2 emission evident from our remote sensing data and records of activity compiled from a range of other sources and instruments, across daily to annual temporal scales. Mean eruptive SO2 emissions at Anatahan are ~6400 t/d, and range from <1000 to >18000 t/d. Quiescent emissions are below our instrument detection limits and are therefore unlikely to exceed 150-300 t/d. Overall, accounting for both eruptive and quiescent emissions, we calculate a revised decadal mean SO2 emission rate of 1060-1200 t/d. We further calculate a total decadal SO2 yield from Anatahan of 4-5 Mt, significantly lower than the 17-34 Mt calculated if ground-based campaign data are used in isolation. The use of isolated measurements to extrapolate longer term emissions budgets is subject to clear uncertainty, and we argue that our satellite observations, covering a longer interval of Anatahan's history, are better suited to such calculations, and do not require widespread extrapolation. We propose that the use of multi-year satellite datasets, ideally in conjunction with key ground-based data and longterm records of activity, can make major improvements to existing emissions budgets at Anatahan and other volcanoes worldwide.

Energy-efficient spatial-domain-based hybrid multidimensional coded-modulations enabling multi-Tb/s optical transport.

PubMed

Djordjevic, Ivan B

2011-08-15

In addition to capacity, the future high-speed optical transport networks will also be constrained by energy consumption. In order to solve the capacity and energy constraints simultaneously, in this paper we propose the use of energy-efficient hybrid D-dimensional signaling (D>4) by employing all available degrees of freedom for conveyance of the information over a single carrier including amplitude, phase, polarization and orbital angular momentum (OAM). Given the fact that the OAM eigenstates, associated with the azimuthal phase dependence of the complex electric field, are orthogonal, they can be used as basis functions for multidimensional signaling. Since the information capacity is a linear function of number of dimensions, through D-dimensional signal constellations we can significantly improve the overall optical channel capacity. The energy-efficiency problem is solved, in this paper, by properly designing the D-dimensional signal constellation such that the mutual information is maximized, while taking the energy constraint into account. We demonstrate high-potential of proposed energy-efficient hybrid D-dimensional coded-modulation scheme by Monte Carlo simulations. © 2011 Optical Society of America

Discovery of New Coronal Lines at 2.843 and 2.853 μm

NASA Astrophysics Data System (ADS)

Samra, Jenna E.; Judge, Philip G.; DeLuca, Edward E.; Hannigan, James W.

2018-04-01

Two new emission features were observed during the 2017 August 21 total solar eclipse by a novel spectrometer, the Airborne Infrared Spectrometer (AIR-Spec), flown at 14.3 km altitude aboard the NCAR Gulfstream-V aircraft. We derive wavelengths in air of 2.8427 ± 0.00009 μm and 2.8529 ± 0.00008 μm. One of these lines belongs to the 3{{{p}}}53{{d}}{}3{{{F}}}3^\\circ \\to 3{{{p}}}53{{d}}{}3{{{F}}}4^\\circ transition in Ar-like Fe IX. This appears to be the first detection of this transition from any source. Minimization of residual wavelength differences using both measured wavelengths, together with National Institute of Standards and Technology (NIST) extreme ultraviolet wavelengths, does not clearly favor assignment to Fe IX. However, the shorter wavelength line appears more consistent with other observed features formed at similar temperatures to Fe IX. The transition occurs between two levels within the excited 3{{{p}}}53{{d}} configuration, 429,000 cm‑1 above the ground level. The line is therefore absent in photo-ionized coronal-line astrophysical sources such as the Circinus Galaxy. Data from a Fourier transform interferometer (FTIR) deployed from Wyoming show that both lines are significantly attenuated by telluric H2O, even at dry sites. We have been unable to identify the longer wavelength transition.

A Low Cost Grism Spectrometer for Small Telescopes

NASA Astrophysics Data System (ADS)

Ludovici, Dominic

2016-06-01

We have designed and built a low cost (appx. $500) low resolution (R ~ 300) grating-prism (grism) spectrometer for the University of Iowa's robotic observatory. Grism spectrometers differ from simple transmission grating systems by partially compensating for the curved focal plane using a wedge prism. The spectrometer has five optical elements, and was designed using a ray tracing program. The collimating and focusing optics are easily modified for other telescope optics. The optics are mounted in an enclosure made with a 3-d printer. The spectrometer was installed in a modified (extended) filter wheel and has been in routine operation since January 2016. I will show sample spectra using this system and discuss spectral calibration, and optical design considerations for other telescopes. I will also discuss how low-resolution spectrometers can be used in undergraduate teaching laboratories.

Diagnostic accuracy of combined FP-CIT, IBZM, and MIBG scintigraphy in the differential diagnosis of degenerative parkinsonism: a multidimensional statistical approach.

PubMed

Südmeyer, Martin; Antke, Christina; Zizek, Tanja; Beu, Markus; Nikolaus, Susanne; Wojtecki, Lars; Schnitzler, Alfons; Müller, Hans-Wilhelm

2011-05-01

In vivo molecular imaging of pre- and postsynaptic nigrostriatal neuronal degeneration and sympathetic cardiac innervation with SPECT is used to distinguish idiopathic Parkinson disease (PD) from atypical parkinsonian disorder (APD). However, the diagnostic accuracy of these imaging approaches as stand-alone procedures is often unsatisfying. The aim of this study was therefore to evaluate to which extent diagnostic accuracy can be increased by their combined use together with a multidimensional statistical algorithm. The SPECT radiotracers (123)I-(S)-2-hydroxy-3-iodo-6-methoxy-N-[1-ethyl-2-pyrrodinyl)-methyl]benzamide (IBZM), (123)I-N-ω-fluoropropyl-2β-carbomethoxy-3β-(4-iodophenyl)nortropan (FP-CIT), and meta-(123)I-iodobenzylguanidine (MIBG) were used to assess striatal postsynaptic D(2) receptor binding, striatal presynaptic dopamine transporter binding, and myocardial adrenergic innervation, respectively. Thirty-one PD and 17 APD patients were prospectively investigated. PD and APD diagnoses were established using consensus criteria and reevaluated after 37.4 ± 12.4 and 26 ± 11.6 mo in PD and APD, respectively. Test accuracy (TA) for PD-APD differentiation was computed for all logical (Boolean) combinations of imaging modalities by receiver-operating-characteristic analysis--that is, after multidimensional optimization of cutoff values. Analysis showed moderate TA for PD-APD differentiation using each molecular approach alone (IBZM, 79%; MIBG, 73%; and FP-CIT, 73%). For combined use, the highest TA resulted under the assumption that at least 2 of the 3 biologic markers had to be positive for APD using the following cutoff values: 1.46 or less for IBZM, less than 2.10 for FP-CIT, and greater than 1.43 for MIBG. This algorithm distinguished APD from PD with a sensitivity of 94%, specificity of 94% (TA, 94%), positive predictive value of 89%, and negative predictive value of 97%. Results suggest that the multidimensional combination of FP-CIT, IBZM, and MIBG scintigraphy is likely to significantly increase TA in differentiating PD from APD. The differential diagnosis of degenerative parkinsonism may thus be facilitated.

Precision mechanical structure of an ultra-high-resolution spectrometer for inelastic X-ray scattering instrument

DOEpatents

Shu, Deming; Shvydko, Yuri; Stoupin, Stanislav A.; Khachatryan, Ruben; Goetze, Kurt A.; Roberts, Timothy

2015-04-14

A method and an ultrahigh-resolution spectrometer including a precision mechanical structure for positioning inelastic X-ray scattering optics are provided. The spectrometer includes an X-ray monochromator and an X-ray analyzer, each including X-ray optics of a collimating (C) crystal, a pair of dispersing (D) element crystals, anomalous transmission filter (F) and a wavelength (W) selector crystal. A respective precision mechanical structure is provided with the X-ray monochromator and the X-ray analyzer. The precision mechanical structure includes a base plate, such as an aluminum base plate; positioning stages for D-crystal alignment; positioning stages with an incline sensor for C/F/W-crystal alignment, and the positioning stages including flexure-based high-stiffness structure.

Two dimensional model for coherent synchrotron radiation

NASA Astrophysics Data System (ADS)

Huang, Chengkun; Kwan, Thomas J. T.; Carlsten, Bruce E.

2013-01-01

Understanding coherent synchrotron radiation (CSR) effects in a bunch compressor requires an accurate model accounting for the realistic beam shape and parameters. We extend the well-known 1D CSR analytic model into two dimensions and develop a simple numerical model based on the Liénard-Wiechert formula for the CSR field of a coasting beam. This CSR numerical model includes the 2D spatial dependence of the field in the bending plane and is accurate for arbitrary beam energy. It also removes the singularity in the space charge field calculation present in a 1D model. Good agreement is obtained with 1D CSR analytic result for free electron laser (FEL) related beam parameters but it can also give a more accurate result for low-energy/large spot size beams and off-axis/transient fields. This 2D CSR model can be used for understanding the limitation of various 1D models and for benchmarking fully electromagnetic multidimensional particle-in-cell simulations for self-consistent CSR modeling.

Multi-dimensional stable fundamental solitons and excitations in PT-symmetric harmonic-Gaussian potentials with unbounded gain-and-loss distributions

NASA Astrophysics Data System (ADS)

Chen, Yong; Yan, Zhenya

2018-04-01

We demonstrate the parity-time- (PT-) symmetric harmonic-Gaussian potential with unbounded gain-and-loss distribution can support entirely-real linear spectra, stable spatial and spatio-temporal solitons in an inhomogeneous nonlinear medium (e.g., cubic nonlinear Schrödinger equation with the self-focusing and defocusing cases). Exact analytical solitons are derived in both one-dimensional (1D) and higher-dimensional (e.g., 2D, 3D) geometries such that they are verified to be stable in the given parameters regions. Particularly, several families of numerical fundamental solitons (especially the 1D double-peaked solitons, 2D vortex solitons, and 3D double bullets) can be found to be stable around the propagation parameters for exact solitons. Other significant properties of solitons are also explored including the interactions of solitons, stable soliton excitations, and transverse power flows. The results may excite the corresponding theoretical analysis and experiment designs.

Measures for a multidimensional multiverse

NASA Astrophysics Data System (ADS)

Chung, Hyeyoun

2015-04-01

We explore the phenomenological implications of generalizing the causal patch and fat geodesic measures to a multidimensional multiverse, where the vacua can have differing numbers of large dimensions. We consider a simple model in which the vacua are nucleated from a D -dimensional parent spacetime through dynamical compactification of the extra dimensions, and compute the geometric contribution to the probability distribution of observations within the multiverse for each measure. We then study how the shape of this probability distribution depends on the time scales for the existence of observers, for vacuum domination, and for curvature domination (tobs,tΛ , and tc, respectively.) In this work we restrict ourselves to bubbles with positive cosmological constant, Λ . We find that in the case of the causal patch cutoff, when the bubble universes have p +1 large spatial dimensions with p ≥2 , the shape of the probability distribution is such that we obtain the coincidence of time scales tobs˜tΛ˜tc . Moreover, the size of the cosmological constant is related to the size of the landscape. However, the exact shape of the probability distribution is different in the case p =2 , compared to p ≥3 . In the case of the fat geodesic measure, the result is even more robust: the shape of the probability distribution is the same for all p ≥2 , and we once again obtain the coincidence tobs˜tΛ˜tc . These results require only very mild conditions on the prior probability of the distribution of vacua in the landscape. Our work shows that the observed double coincidence of time scales is a robust prediction even when the multiverse is generalized to be multidimensional; that this coincidence is not a consequence of our particular Universe being (3 +1 )-dimensional; and that this observable cannot be used to preferentially select one measure over another in a multidimensional multiverse.

2.5D transient electromagnetic inversion with OCCAM method

NASA Astrophysics Data System (ADS)

Li, R.; Hu, X.

2016-12-01

In the application of time-domain electromagnetic method (TEM), some multidimensional inversion schemes are applied for imaging in the past few decades to overcome great error produced by 1D model inversion when the subsurface structure is complex. The current mainstream multidimensional inversion for EM data, with the finite-difference time-domain (FDTD) forward method, mainly implemented by Nonlinear Conjugate Gradient (NLCG). But the convergence rate of NLCG heavily depends on Lagrange multiplier and maybe fail to converge. We use the OCCAM inversion method to avoid the weakness. OCCAM inversion is proven to be a more stable and reliable method to image the subsurface 2.5D electrical conductivity. Firstly, we simulate the 3D transient EM fields governed by Maxwell's equations with FDTD method. Secondly, we use the OCCAM inversion scheme with the appropriate objective error functional we established to image the 2.5D structure. And the data space OCCAM's inversion (DASOCC) strategy based on OCCAM scheme were given in this paper. The sensitivity matrix is calculated with the method of time-integrated back-propagated fields. Imaging result of example model shown in Fig. 1 have proven that the OCCAM scheme is an efficient inversion method for TEM with FDTD method. The processes of the inversion iterations have shown the great ability of convergence with few iterations. Summarizing the process of the imaging, we can make the following conclusions. Firstly, the 2.5D imaging in FDTD system with OCCAM inversion demonstrates that we could get desired imaging results for the resistivity structure in the homogeneous half-space. Secondly, the imaging results usually do not over-depend on the initial model, but the iteration times can be reduced distinctly if the background resistivity of initial model get close to the truthful model. So it is batter to set the initial model based on the other geologic information in the application. When the background resistivity fit the truthful model well, the imaging of anomalous body only need a few iteration steps. Finally, the speed of imaging vertical boundaries is slower than the speed of imaging the horizontal boundaries.

Wall Conditioning Characterization in NSTX-U

NASA Astrophysics Data System (ADS)

Caron, D.; Soukhanovskii, V.; Scotti, F.; Weller, M.

2016-10-01

Impurities in tokamak plasmas can lead to disruptive instabilities due to radiative energy loss which impede access to high-confinements mode. One source of impurities in NSTX-U are water molecules trapped in graphite plasma facing components (PFCs), which make up the walls and divertors. Hydrogen and oxygen impurities are released into the plasma due to plasma surface interactions. Extreme ultraviolet (EUV) and visible spectrometers are used in conjunction with a residual gas analyzer (RGA) to characterize the source and amount of released impurities. A high resolution visible spectrometer measured H/D Balmer- α intensity ratio on the inner wall, the upper and lower divertors, and provided a hydrogen time history for shot-to-shot trends. The RGA provided partial pressure trends of masses 2 (H2) , 16 (O2) , and 18 (H2O). Trends of O VIII and C VI spectral line intensities from the core plasma were obtained from the EUV spectrometer. The trends are correlated with wall conditioning, namely helium glow discharge cleaning and boronization. Using these trends, impurity content monitoring and recommendations for wall conditioning can be implemented. Work supported by DOE under Contracts DE-AC52-07NA27344 and DE-AC02-09CH11466.

Un Détecteur de Neutrons pour la Spectrométrie de Masses Manquantes

NASA Astrophysics Data System (ADS)

Bollini, D.; Buhler-Broglin, A.; Dalpiaz, P.; Massam, T.; Navach, F.; Navarria, F. L.; Schneegans, M. A.; Zichichi, A.

A large (2 × 0.39 m3 plastic scintillator) neutron detector capable to measure with high accuracy the coordinates of the neutron interaction point as well as its time-of-flight is described. As a missing mass spectrometer, it allows to observe for example the η, meson with a mass resolution of ± 4.2 MeV. Nous décrivous un détectcur de neutrons de grand volume sensible (2 x 0,39 m3 de scintillatcur plastique) capable de mesurer avec précision les coordonnées du point d'interaction du neutron détecté ainsi que son temp-de-vol. Employé comme spectrométre de masses manquantes, it permet d'observer par exemple le méson η avec une resolution de ± 4,2 MeY.

Environmental Impact Analysis Process. Volume 2

DTIC Science & Technology

1987-04-01

in producing stress on a person . Whatever else stress may be, it is certainly multidimensional (produced by an interaction of many factors). Each...dB. According to the National Academy of Sciences’ "Guidelines" referred to above (p. B-6) approximately 12% of the persons exposed to DNL of 60-65...area including highly populated Springfield and Chicopee, the number of persons "highly annoyed" will be substantially higher, possibly by orders of

Evolution of the coma composition at 67P/Churyumov-Gerasimenko as seen by ROSINA/Rosetta from November 2014 to April 2015

NASA Astrophysics Data System (ADS)

Gasc, Sébastien; Altwegg, Kathrin; Balsiger, Hans; Calmonte, Ursina; Galli, André; Jäckel, Annette; Le Roy, Léna; Rubin, Martin; Tzou, Chia-Yu; Wurz, Peter; Berthelier, Jean-Jacques; Fiethe, Björn; Fuselier, Stephen; Gombosi, Tamas; De Keyser, Johan; Mall, Urs; Rème, Henri

2015-04-01

The European Space Agency's Rosetta spacecraft, with the Rosetta Orbiter Spectrometer for Ion and Neutral Analysis (ROSINA) onboard [1], has been following and observing comet 67P/Churyumov-Gerasimenko (67P/C-G) since August 2014. ROSINA has provided new information on the molecular, elemental, and isotopic composition of 67P/C-G's coma [2,3]. ROSINA consists of a pressure sensor (COPS) and two mass spectrometers, the Double Focusing Mass Spectrometer (DFMS) and the Reflectron Time Of Flight mass spectrometer (RTOF). DFMS has a high mass resolution (ca. 3'000 at 1%) and a high sensitivity, whereas RTOF has a wide mass range (from 1 amu/e to >300 amu/e) and a high temporal resolution. Both mass spectrometers are designed to measure cometary neutral gas as well as cometary ions. In this work, we present the first results and discuss the evolution of the composition of the coma measured by ROSINA from November 2014 until the end of March 2015. During this period, Rosetta delivered the lander, then stayed in bound orbits at distances of 20-30 km away from the comet center, and finally performed comet flybys from 10 km up to 250 km away from 67P/C-G. [1] Balsiger, H. et al.: ROSINA-Rosetta Orbiter Spectrometer for Ion and Neutral Analysis, Space Science Reviews, Vol. 128, 745-801, 2007 [2] Altwegg, K. et al.: Comet 67P/Churyumov-Gerasimenko, a true Kuiper belt comet as judged from its D/H in water, Science Express, 2014 [3] Hässig, M. et al.: Time variability and heterogeneity in the coma of 67P/Churyumov-Gerasimenko, Science, in press, 2015

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pushkar, Yulia

The goal of this project was to demonstrate time resolved analysis of the electronic structure dynamic using techniques of miniature X-ray emission spectrometers. The focus was on development of easy/fast to set up, portable, cost efficient, good energy resolution, good sensitivity, dispersive (particularly suitable for time resolved analysis) system. These mile stones were achieved and miniXES spectrometer for the Mn Kβ range was reported. Contrary to pointby- point detection, the miniXES setup allows a complete emission spectrum to be recorded following each laser excitation, Fig. 1. miniXES system compares favorably with other realization of a dispersive XES spectrometer with cylindricallymore » bent analyzers. Setup reported by others has disadvantages of high cost (which limits its re-creation by other researchers) and lower (0.55 eV) energy resolution (at 6490 eV). The energy resolution of our miniXES system is 0.30 eV. Additional advantage of portability allowed us to use miniXES at multiple beamlines at APS (ANL): 20-ID, 14-ID and 7-ID. Moreover, in March 2013 PI transported the Mn Kβ spectrometer (which fits into a small hand luggage bag) to SLS (Switzerland) and set it up there for the TR-XES beamtime. Our spectrometer works with 2D-PSD (Pilatus-100) which is a standard detector available via equipment pool at synchrotron sources.« less

Uncooled spectrometer for x-ray astrophysics

NASA Astrophysics Data System (ADS)

Urban, Martin; Nentvich, Ondrej; Stehlikova, Veronika; Sieger, Ladislav

2017-05-01

In the field of X-ray detection for Astrophysics there are mainly two objectives; first is to create 2D images as a result of sensing radiation by detectors consisting of a pixels matrix and the second is a spectral analysis of the incident radiation. For spectral analysis, the basis is usually the principle of diffraction. This paper describes the new design of X-ray spectrometer based on Timepix detector with optics positioned in front of it. The advantage of this setup is the ability to get the image and spectrum from the same devices. With other modifications is possible to shift detection threshold into areas of soft X-ray radiation.

Single-scan 2D NMR: An Emerging Tool in Analytical Spectroscopy

PubMed Central

Giraudeau, Patrick; Frydman, Lucio

2016-01-01

Two-dimensional Nuclear Magnetic Resonance (2D NMR) spectroscopy is widely used in chemical and biochemical analyses. Multidimensional NMR is also witnessing an increased use in quantitative and metabolic screening applications. Conventional 2D NMR experiments, however, are affected by inherently long acquisition durations, arising from their need to sample the frequencies involved along their indirect domains in an incremented, scan-by-scan nature. A decade ago a so-called “ultrafast” (UF) approach was proposed, capable to deliver arbitrary 2D NMR spectra involving any kind of homo- or hetero-nuclear correlations, in a single scan. During the intervening years the performance of this sub-second 2D NMR methodology has been greatly improved, and UF 2D NMR is rapidly becoming a powerful analytical tool witnessing an expanded scope of applications. The present reviews summarizes the principles and the main developments which have contributed to the success of this approach, and focuses on applications which have been recently demonstrated in various areas of analytical chemistry –from the real time monitoring of chemical and biochemical processes, to extensions in hyphenated techniques and in quantitative applications. PMID:25014342

Apollo lunar surface experiments package

NASA Technical Reports Server (NTRS)

1972-01-01

Developments in the ALSEP program are reported. A summary of the status for the total ALSEP program is included. Other areas discussed include: (1) status of Apollo 16 (array D) and Apollo 17 (array E), (2) lunar seismic profiling experiment, (3) lunar ejecta and meteorites experiment, and (4) lunar mass spectrometer experiments.

Airborne single particle mass spectrometers (SPLAT II & miniSPLAT) and new software for data visualization and analysis in a geo-spatial context.

PubMed

Zelenyuk, Alla; Imre, Dan; Wilson, Jacqueline; Zhang, Zhiyuan; Wang, Jun; Mueller, Klaus

2015-02-01

Understanding the effect of aerosols on climate requires knowledge of the size and chemical composition of individual aerosol particles-two fundamental properties that determine an aerosol's optical properties and ability to serve as cloud condensation or ice nuclei. Here we present our aircraft-compatible single particle mass spectrometers, SPLAT II and its new, miniaturized version, miniSPLAT that measure in-situ and in real-time the size and chemical composition of individual aerosol particles with extremely high sensitivity, temporal resolution, and sizing precision on the order of a monolayer. Although miniSPLAT's size, weight, and power consumption are significantly smaller, its performance is on par with SPLAT II. Both instruments operate in dual data acquisition mode to measure, in addition to single particle size and composition, particle number concentrations, size distributions, density, and asphericity with high temporal resolution. We also present ND-Scope, our newly developed interactive visual analytics software package. ND-Scope is designed to explore and visualize the vast amount of complex, multidimensional data acquired by our single particle mass spectrometers, along with other aerosol and cloud characterization instruments on-board aircraft. We demonstrate that ND-Scope makes it possible to visualize the relationships between different observables and to view the data in a geo-spatial context, using the interactive and fully coupled Google Earth and Parallel Coordinates displays. Here we illustrate the utility of ND-Scope to visualize the spatial distribution of atmospheric particles of different compositions, and explore the relationship between individual particle compositions and their activity as cloud condensation nuclei.

Determination of Structural Topology of a Membrane Protein in Lipid -Bilayers using Polarization Optimized Experiments (POE) for Static and MAS Solid State NMR Spectroscopy

PubMed Central

Mote, Kaustubh R.; Gopinath, T.; Veglia, Gianluigi

2013-01-01

The low sensitivity inherent to both the static and magic angle spinning techniques of solid-state NMR (ssNMR) spectroscopy has thus far limited the routine application of multidimensional experiments to determine the structure of membrane proteins in lipid bilayers. Here, we demonstrate the advantage of using a recently developed class of experiments, polarization optimized experiments (POE), for both static and MAS spectroscopy to achieve higher sensitivity and substantial time-savings for 2D and 3D experiments. We used sarcolipin, a single pass membrane protein, reconstituted in oriented bicelles (for oriented ssNMR) and multilamellar vesicles (for MAS ssNMR) as a benchmark. The restraints derived by these experiments are then combined into a hybrid energy function to allow simultaneous determination of structure and topology. The resulting structural ensemble converged to a helical conformation with a backbone RMSD ∼ 0.44 Å, a tilt angle of 24° ± 1°, and an azimuthal angle of 55° ± 6°. This work represents a crucial first step toward obtaining high-resolution structures of large membrane proteins using combined multidimensional O-ssNMR and MAS-ssNMR. PMID:23963722

Multidimensional MnO2 nanohair-decorated hybrid multichannel carbon nanofiber as an electrode material for high-performance supercapacitors.

PubMed

Jun, Jaemoon; Lee, Jun Seop; Shin, Dong Hoon; Kim, Sung Gun; Jang, Jyongsik

2015-10-14

One-dimensional (1D)-structured nanomaterials represent one of the most attractive candidates for energy-storage systems due to their contribution to design simplicity, fast charge-transportation network, and their allowance for more accessible ion diffusion. In particular, 1D-structured nanomaterials with a highly complex inner-pore configuration enhance functionality by taking advantage of both the hollow and 1D structures. In this study, we report a MnO2 nanohair-decorated, hybrid multichannel carbon nanofiber (Mn_MCNF) fabricated via single-nozzle co-electrospinning of two immiscible polymer solutions, followed by carbonization and redox reactions. With improved ion accessibility, the optimized Mn_MCNF sample (Mn_MCNF_60 corresponding to a reaction duration time of 60 min for optimal MnO2 nanohair growth) exhibited a high specific capacitance of 855 F g(-1) and excellent cycling performance with ∼87.3% capacitance retention over 5000 cycles.

Visualizing Big Data Outliers through Distributed Aggregation.

PubMed

Wilkinson, Leland

2017-08-29

Visualizing outliers in massive datasets requires statistical pre-processing in order to reduce the scale of the problem to a size amenable to rendering systems like D3, Plotly or analytic systems like R or SAS. This paper presents a new algorithm, called hdoutliers, for detecting multidimensional outliers. It is unique for a) dealing with a mixture of categorical and continuous variables, b) dealing with big-p (many columns of data), c) dealing with big-n (many rows of data), d) dealing with outliers that mask other outliers, and e) dealing consistently with unidimensional and multidimensional datasets. Unlike ad hoc methods found in many machine learning papers, hdoutliers is based on a distributional model that allows outliers to be tagged with a probability. This critical feature reduces the likelihood of false discoveries.

Finite-element solution to multidimensional multisource electromagnetic problems in the frequency domain using non-conforming meshes

NASA Astrophysics Data System (ADS)

Soloveichik, Yury G.; Persova, Marina G.; Domnikov, Petr A.; Koshkina, Yulia I.; Vagin, Denis V.

2018-03-01

We propose an approach to solving multisource induction logging problems in multidimensional media. According to the type of induction logging tools, the measurements are performed in the frequency range of 10 kHz to 14 MHz, transmitter-receiver offsets vary in the range of 0.5-8 m or more, and the trajectory length is up to 1 km. For calculating the total field, the primary-secondary field approach is used. The secondary field is calculated with the use of the finite-element method (FEM), irregular non-conforming meshes with local refinements and a direct solver. The approach to constructing basis functions with the continuous tangential components (from Hcurl(Ω)) on the non-conforming meshes from the standard shape vector functions is developed. On the basis of this method, the algorithm of generating global matrices and a vector of the finite-element equation system is proposed. We also propose the method of grouping the logging tool positions, which makes it possible to significantly increase the computational effectiveness. This is achieved due to the compromise between the possibility of using the 1-D background medium, which is very similar to the investigated multidimensional medium for a small group, and the decrease in the number of the finite-element matrix factorizations with the increasing number of tool positions in one group. For calculating the primary field, we propose the method based on the use of FEM. This method is highly effective when the 1-D field is required to be calculated at a great number of points. The use of this method significantly increases the effectiveness of the primary-secondary field approach. The proposed approach makes it possible to perform modelling both in the 2.5-D case (i.e. without taking into account a borehole and/or invasion zone effect) and the 3-D case (i.e. for models with a borehole and invasion zone). The accuracy of numerical results obtained with the use of the proposed approach is compared with the one obtained by other codes for 1-D and 3-D anisotropic models. The results of this comparison lend support to the validity of our code. We also present the numerical results proving greater effectiveness of the finite-element approach proposed for calculating the 1-D field in comparison with the known codes implementing the semi-analytical methods for the case in which the field is calculated at a large number of points. Additionally, we present the numerical results which confirm the accuracy advantages of the automatic choice of a background medium for calculating the 1-D field as well as the results of 2.5-D modelling for a geoelectrical model with anisotropic layers, a fault and long tool-movement trajectory with the varying dip angle.

On the validity of travel-time based nonlinear bioreactive transport models in steady-state flow.

PubMed

Sanz-Prat, Alicia; Lu, Chuanhe; Finkel, Michael; Cirpka, Olaf A

2015-01-01

Travel-time based models simplify the description of reactive transport by replacing the spatial coordinates with the groundwater travel time, posing a quasi one-dimensional (1-D) problem and potentially rendering the determination of multidimensional parameter fields unnecessary. While the approach is exact for strictly advective transport in steady-state flow if the reactive properties of the porous medium are uniform, its validity is unclear when local-scale mixing affects the reactive behavior. We compare a two-dimensional (2-D), spatially explicit, bioreactive, advective-dispersive transport model, considered as "virtual truth", with three 1-D travel-time based models which differ in the conceptualization of longitudinal dispersion: (i) neglecting dispersive mixing altogether, (ii) introducing a local-scale longitudinal dispersivity constant in time and space, and (iii) using an effective longitudinal dispersivity that increases linearly with distance. The reactive system considers biodegradation of dissolved organic carbon, which is introduced into a hydraulically heterogeneous domain together with oxygen and nitrate. Aerobic and denitrifying bacteria use the energy of the microbial transformations for growth. We analyze six scenarios differing in the variance of log-hydraulic conductivity and in the inflow boundary conditions (constant versus time-varying concentration). The concentrations of the 1-D models are mapped to the 2-D domain by means of the kinematic (for case i), and mean groundwater age (for cases ii & iii), respectively. The comparison between concentrations of the "virtual truth" and the 1-D approaches indicates extremely good agreement when using an effective, linearly increasing longitudinal dispersivity in the majority of the scenarios, while the other two 1-D approaches reproduce at least the concentration tendencies well. At late times, all 1-D models give valid approximations of two-dimensional transport. We conclude that the conceptualization of nonlinear bioreactive transport in complex multidimensional domains by quasi 1-D travel-time models is valid for steady-state flow fields if the reactants are introduced over a wide cross-section, flow is at quasi steady state, and dispersive mixing is adequately parametrized. Copyright © 2015 Elsevier B.V. All rights reserved.

Toward 2D and 3D imaging of magnetic nanoparticles using EPR measurements.

PubMed

Coene, A; Crevecoeur, G; Leliaert, J; Dupré, L

2015-09-01

Magnetic nanoparticles (MNPs) are an important asset in many biomedical applications. An effective working of these applications requires an accurate knowledge of the spatial MNP distribution. A promising, noninvasive, and sensitive technique to visualize MNP distributions in vivo is electron paramagnetic resonance (EPR). Currently only 1D MNP distributions can be reconstructed. In this paper, the authors propose extending 1D EPR toward 2D and 3D using computer simulations to allow accurate imaging of MNP distributions. To find the MNP distribution belonging to EPR measurements, an inverse problem needs to be solved. The solution of this inverse problem highly depends on the stability of the inverse problem. The authors adapt 1D EPR imaging to realize the imaging of multidimensional MNP distributions. Furthermore, the authors introduce partial volume excitation in which only parts of the volume are imaged to increase stability of the inverse solution and to speed up the measurements. The authors simulate EPR measurements of different 2D and 3D MNP distributions and solve the inverse problem. The stability is evaluated by calculating the condition measure and by comparing the actual MNP distribution to the reconstructed MNP distribution. Based on these simulations, the authors define requirements for the EPR system to cope with the added dimensions. Moreover, the authors investigate how EPR measurements should be conducted to improve the stability of the associated inverse problem and to increase reconstruction quality. The approach used in 1D EPR can only be employed for the reconstruction of small volumes in 2D and 3D EPRs due to numerical instability of the inverse solution. The authors performed EPR measurements of increasing cylindrical volumes and evaluated the condition measure. This showed that a reduction of the inherent symmetry in the EPR methodology is necessary. By reducing the symmetry of the EPR setup, quantitative images of larger volumes can be obtained. The authors found that, by selectively exciting parts of the volume, the authors could increase the reconstruction quality even further while reducing the amount of measurements. Additionally, the inverse solution of this activation method degrades slower for increasing volumes. Finally, the methodology was applied to noisy EPR measurements: using the reduced EPR setup's symmetry and the partial activation method, an increase in reconstruction quality of ≈ 80% can be seen with a speedup of the measurements with 10%. Applying the aforementioned requirements to the EPR setup and stabilizing the EPR measurements showed a tremendous increase in noise robustness, thereby making EPR a valuable method for quantitative imaging of multidimensional MNP distributions.

Pole Figure Explorer v. 1.8

DOE Office of Scientific and Technical Information (OSTI.GOV)

Van Benthem, Mark H.

2016-05-04

This software is employed for 3D visualization of X-ray diffraction (XRD) data with functionality for slicing, reorienting, isolating and plotting of 2D color contour maps and 3D renderings of large datasets. The program makes use of the multidimensionality of textured XRD data where diffracted intensity is not constant over a given set of angular positions (as dictated by the three defined dimensional angles of phi, chi, and two-theta). Datasets are rendered in 3D with intensity as a scaler which is represented as a rainbow color scale. A GUI interface and scrolling tools along with interactive function via the mouse allowmore » for fast manipulation of these large datasets so as to perform detailed analysis of diffraction results with full dimensionality of the diffraction space.« less

'Berries' on the Ground 2 (3-D)

NASA Technical Reports Server (NTRS)

2004-01-01

This is the 3-D anaglyph showing a microscopic image taken of soil featuring round, blueberry-shaped rock formations on the crater floor at Meridiani Planum, Mars. This image was taken on the 13th day of the Mars Exploration Rover Opportunity's journey, after the Moessbauer spectrometer, an instrument located on the rover's instrument deployment device, or 'arm,' was pressed down to measure the soil's iron mineralogy. Note the donut-shaped imprint of the instrument in the lower part of the image. The area in this image is approximately 3 centimeters (1.2 inches) across.

XD-GRASP: Golden-angle radial MRI with reconstruction of extra motion-state dimensions using compressed sensing.

PubMed

Feng, Li; Axel, Leon; Chandarana, Hersh; Block, Kai Tobias; Sodickson, Daniel K; Otazo, Ricardo

2016-02-01

To develop a novel framework for free-breathing MRI called XD-GRASP, which sorts dynamic data into extra motion-state dimensions using the self-navigation properties of radial imaging and reconstructs the multidimensional dataset using compressed sensing. Radial k-space data are continuously acquired using the golden-angle sampling scheme and sorted into multiple motion-states based on respiratory and/or cardiac motion signals derived directly from the data. The resulting undersampled multidimensional dataset is reconstructed using a compressed sensing approach that exploits sparsity along the new dynamic dimensions. The performance of XD-GRASP is demonstrated for free-breathing three-dimensional (3D) abdominal imaging, two-dimensional (2D) cardiac cine imaging and 3D dynamic contrast-enhanced (DCE) MRI of the liver, comparing against reconstructions without motion sorting in both healthy volunteers and patients. XD-GRASP separates respiratory motion from cardiac motion in cardiac imaging, and respiratory motion from contrast enhancement in liver DCE-MRI, which improves image quality and reduces motion-blurring artifacts. XD-GRASP represents a new use of sparsity for motion compensation and a novel way to handle motions in the context of a continuous acquisition paradigm. Instead of removing or correcting motion, extra motion-state dimensions are reconstructed, which improves image quality and also offers new physiological information of potential clinical value. © 2015 Wiley Periodicals, Inc.

XD-GRASP: Golden-Angle Radial MRI with Reconstruction of Extra Motion-State Dimensions Using Compressed Sensing

PubMed Central

Feng, Li; Axel, Leon; Chandarana, Hersh; Block, Kai Tobias; Sodickson, Daniel K.; Otazo, Ricardo

2015-01-01

Purpose To develop a novel framework for free-breathing MRI called XD-GRASP, which sorts dynamic data into extra motion-state dimensions using the self-navigation properties of radial imaging and reconstructs the multidimensional dataset using compressed sensing. Methods Radial k-space data are continuously acquired using the golden-angle sampling scheme and sorted into multiple motion-states based on respiratory and/or cardiac motion signals derived directly from the data. The resulting under-sampled multidimensional dataset is reconstructed using a compressed sensing approach that exploits sparsity along the new dynamic dimensions. The performance of XD-GRASP is demonstrated for free-breathing three-dimensional (3D) abdominal imaging, two-dimensional (2D) cardiac cine imaging and 3D dynamic contrast-enhanced (DCE) MRI of the liver, comparing against reconstructions without motion sorting in both healthy volunteers and patients. Results XD-GRASP separates respiratory motion from cardiac motion in cardiac imaging, and respiratory motion from contrast enhancement in liver DCE-MRI, which improves image quality and reduces motion-blurring artifacts. Conclusion XD-GRASP represents a new use of sparsity for motion compensation and a novel way to handle motions in the context of a continuous acquisition paradigm. Instead of removing or correcting motion, extra motion-state dimensions are reconstructed, which improves image quality and also offers new physiological information of potential clinical value. PMID:25809847

Multi-dimensional, fully implicit, exactly conserving electromagnetic particle-in-cell simulations in curvilinear geometry

NASA Astrophysics Data System (ADS)

Chen, Guangye; Chacon, Luis

2015-11-01

We discuss a new, conservative, fully implicit 2D3V Vlasov-Darwin particle-in-cell algorithm in curvilinear geometry for non-radiative, electromagnetic kinetic plasma simulations. Unlike standard explicit PIC schemes, fully implicit PIC algorithms are unconditionally stable and allow exact discrete energy and charge conservation. Here, we extend these algorithms to curvilinear geometry. The algorithm retains its exact conservation properties in curvilinear grids. The nonlinear iteration is effectively accelerated with a fluid preconditioner for weakly to modestly magnetized plasmas, which allows efficient use of large timesteps, O (√{mi/me}c/veT) larger than the explicit CFL. In this presentation, we will introduce the main algorithmic components of the approach, and demonstrate the accuracy and efficiency properties of the algorithm with various numerical experiments in 1D (slow shock) and 2D (island coalescense).

Dissociative recombination source for O I /1D/ atoms

NASA Technical Reports Server (NTRS)

Sharp, W. E.; Rusch, D. W.; Hays, P. B.

1975-01-01

A study of the nighttime dissociative recombination production of O(1D) is reported. The data were gathered by a rocket payload carrying an ion mass spectrometer, Langmuir probe, retarding potential analyzer, and 6300-A photometer. The specific recombination rate to produce O(1D) atoms is deduced to be (2.8 + or - 1.0) times 10 to the minus 8th cu cm per sec and is 30% of the total laboratory rate. The quenching rate at 250 km is 0.0044 + or - 0.0015 per sec.

Heteronuclear Multidimensional Protein NMR in a Teaching Laboratory

ERIC Educational Resources Information Center

Wright, Nathan T.

2016-01-01

Heteronuclear multidimensional NMR techniques are commonly used to study protein structure, function, and dynamics, yet they are rarely taught at the undergraduate level. Here, we describe a senior undergraduate laboratory where students collect, process, and analyze heteronuclear multidimensional NMR experiments using an unstudied Ig domain (Ig2…

Multielectron spectroscopy: energy levels of K n+ and Rb n+ ions (n = 2, 3, 4)

NASA Astrophysics Data System (ADS)

Khalal, M. A.; Soronen, J.; Jänkälä, K.; Huttula, S.-M.; Huttula, M.; Bizau, J.-M.; Cubaynes, D.; Guilbaud, S.; Ito, K.; Andric, L.; Feng, J.; Lablanquie, P.; Palaudoux, J.; Penent, F.

2017-11-01

A magnetic bottle time-of-flight spectrometer has been used to perform spectroscopy of K n+ and Rb n+ states with ionization degrees n of 2, 3 and 4. Energy levels are directly measured by detecting in coincidence the n electrons that are emitted as a result of single photon absorption. Experimental results are compared with the energies from the NIST atomic database and ab initio multiconfiguration Dirac-Fock calculations. Previously unidentified 3p 4(3P)3d 1 4D energy levels of K2+ are assigned.

Implications for Extraterrestrial Hydrocarbon Chemistry: Analysis of Ethylene (C2H4) and D4-Ethylene (C2D4) Ices Exposed to Ionizing Radiation via Combined Infrared Spectroscopy and Reflectron Time-of-flight Mass Spectrometry

NASA Astrophysics Data System (ADS)

Abplanalp, Matthew J.; Kaiser, Ralf I.

2017-02-01

The processing of the hydrocarbon ice, ethylene (C2H4/C2D4), via energetic electrons, thus simulating the processes in the track of galactic cosmic-ray particles, was carried out in an ultrahigh vacuum apparatus. The chemical evolution of the ices was monitored online and in situ utilizing Fourier transform infrared spectroscopy (FTIR) and during temperature programmed desorption, via a quadrupole mass spectrometer utilizing electron impact ionization (EI-QMS) and a reflectron time-of-flight mass spectrometer utilizing a photoionization source (PI-ReTOF-MS). Several previous in situ studies of ethylene ice irradiation using FTIR were substantiated with the detection of six products: [CH4 (CD4)], acetylene [C2H2 (C2D2)], the ethyl radical [C2H5 (C2D5)], ethane [C2H6 (C2D6)], 1-butene [C4H8 (C4D8)], and n-butane [C4H10 (C4D10)]. Contrary to previous gas phase studies, the PI-ReTOF-MS detected several groups of hydrocarbon with varying degrees of saturation: C n H2n+2 (n = 4-10), C n H2n (n = 2-12, 14, 16), C n H2n-2 (n = 3-12, 14, 16), C n H2n-4 (n = 4-12, 14, 16), C n H2n-6 (n = 4-10, 12), C n H2n-8 (n = 6-10), and C n H2n-10 (n = 6-10). Multiple laboratory studies have shown the facile production of ethylene from methane, which is a known ice constituent in the interstellar medium. Various astrophysically interesting molecules can be associated with the groups detected here, such as allene/methylacetylene (C3H4) or 1, 3-butadiene (C4H6) and its isomers, which have been shown to lead to polycyclic aromatic hydrocarbons. Finally, several hydrocarbon groups detected here are unique to ethylene ice versus ethane ice and may provide understanding of how complex hydrocarbons form in astrophysical environments.

An improved method for the analysis of 2-aminoacetophenone in wine based on headspace solid-phase microextraction and heart-cut multidimensional gas chromatography with selective detection by tandem mass spectrometry.

PubMed

Schmarr, Hans-Georg; Keiser, Jutta; Krautwald, Susann

2016-12-16

Heart-cut multidimensional gas chromatography coupled to selective mass spectrometric detection (H/C MDGC-MS-MS) was shown to be a suitable combination for analysis of the key component for the wine off-flavor named "atypical aging off-flavor" (german: "Untypische Alterungsnote", UTA), 2-aminoacetophenone (2-AAP). Headspace solid phase microextraction (HS-SPME) was applied as an easy to automate sample preparation step suiting routine control situations. During method development two critical aspects were found, of which one is the chemical degradation of the neat substance, leading to signal reduction and a false response behavior. A second aspect is the pH stability of the deuterated isotopologue 1-(2-aminophenyl)-2,2,2-trideuterio-ethanone (2-AAP-d3) used for quantification via a stable isotope dilution assay. Despite an earlier suggestion to increase the extractable amount of 2-AAP and its isotopic standard in the headspace, alkalization of 2-AAP-d3 containing aqueous samples were found to be critical. In such a milieu a deuterium exchange can then cause erroneous quantitative results. The method proposed in our study thus uses native wine pH conditions and proved to be suitable for routine control with respect to the detection of the "atypical aging off-flavor" in wine at concentration levels below its sensory threshold of about 1μgL -1 . Good linearity was obtained in the calibrated range from 0.1-8μgL -1 (y=1,2338x+0,1029, R=0,9985) with limits of detection or quantification being 0.01 and 0.14μg/L, respectively. Copyright © 2016 Elsevier B.V. All rights reserved.

Quantifying Stream-Aquifer Exchanges Over Scales: the Concept of Nested Interfaces

NASA Astrophysics Data System (ADS)

Flipo, N.; Mouhri, A.; Labarthe, B.; Saleh, F. S.

2013-12-01

Recent developments in hydrological modelling are based on a view of the interface being a single continuum through which water flows. These coupled hydrological-hydrogeological models, emphasizing the importance of the stream-aquifer interface (SAI), are more and more used in hydrological sciences for pluri-disciplinary studies aiming at questioning environmental issues. This notion of a single continuum comes from the historical modelling of hydrosystems based on the hypothesis of a homogeneous media that led to the Darcy law. Nowadays, there is a need to first bridge the gap between hydrological and eco-hydrological views of the SAIs, and, second, to rationalize the modelling of SAI within a consistent framework that fully takes into account the multi-dimensionality of the SAIs. We first define the concept of nested SAIs as a key transitional component of continental hydrosystem. We then demonstrate the usefulness of the concept for the multi-dimensional study of the SAI, with a special emphasis on the stream network which is identified as the key component for scaling hydrological processes occurring at the interface. Finally we focus on SAI modelling at various scales with up-to-date methodologies and give some guidance for the multi-dimensional modelling of the interface using the innovative methodology MIM (Measurements-Interpolation-Modelling), which is graphically developed. MIM scales in space three pools of methods needed to fully understand SAIs. The outcome of MIM is the localization in space of the type of SAI that can be studied by a given approach. The efficiency of the method is illustrated from the local (approx. 1m) to the regional scale (> 10 000 km2) with two examples from the Paris basin (France). The first one consists in the implementation of a sampling system of stream-aquifer exchanges, which is coupled with local 2D thermo-hydro models and a pseudo 3D hydro(geo)logical model at the watershed scale (40 km2). The quantification of monthly stream-aquifer exchanges over 14 000 km of river network in the Paris basin (74 000 km2) corresponds to a unique regional scale example.

Multidimensional and comprehensive two-dimensional gas chromatography of dichloromethane soluble products from a high sulfur Jordanian oil shale.

PubMed

Amer, Mohammad W; Mitrevski, Blagoj; Jackson, W Roy; Chaffee, Alan L; Marriott, Philip J

2014-03-01

A high sulfur Jordanian oil shale was converted into liquid hydrocarbons by reaction at 390 °C under N2, and the dichloromethane soluble fraction of the products was isolated then analyzed by using gas chromatography (GC). Comprehensive two-dimensional GC (GC×GC) and multidimensional GC (MDGC) were applied for component separation on a polar - non-polar column set. Flame-ionization detection (FID) was used with GC×GC for general sample profiling, and mass spectrometry (MS) for component identification in MDGC. Multidimensional GC revealed a range of thiophenes (th), benzothiophenes (bth) and small amounts of dibenzothiophenes (dbth) and benzonaphthothiophenes (bnth). In addition, a range of aliphatic alkanes and cycloalkanes, ethers, polar single ring aromatic compounds and small amounts of polycyclic aromatics were also identified. Some of these compound classes were not uniquely observable by conventional 1D GC, and certainly this is true for many of their minor constituent members. The total number of distinct compounds was very large (ca.>1000). GC×GC was shown to be appropriate for general sample profiling, and MDGC-MS proved to be a powerful technique for the separation and identification of sulfur-containing components and other polar compounds. © 2013 Published by Elsevier B.V.

Analysis of polycyclic aromatic hydrocarbons using desorption atmospheric pressure chemical ionization coupled to a portable mass spectrometer.

PubMed

Jjunju, Fred P M; Maher, Simon; Li, Anyin; Badu-Tawiah, Abraham K; Taylor, Stephen; Cooks, R Graham

2015-02-01

Desorption atmospheric pressure chemical ionization (DAPCI) is implemented on a portable mass spectrometer and applied to the direct detection of polycyclic aromatic hydrocarbons (PAHs) and alkyl substituted benzenes. The presence of these compounds in the environment poses a significant threat to the health of both humans and wildlife because of their carcinogenic, toxic, and mutagenic properties. As such, instant detection outside of the laboratory is of particular importance to allow in-situ measurement at the source. Using a rapid, high throughput, miniature, handheld mass spectrometer, several alkyl substituted benzenes and PAHs (i.e., 1,2,3,5-tetramethylbenzene, pentamethylbenzene, hexamethylbenzene, fluoranthene, anthracene, benzo[k]fluoranthene, dibenz[a,h]anthracene, acenaphthene, indeno[1,2,3-c,d]pyrene, 9-ethylfluorene, and 1-benzyl-3-methyl-naphthalene) were identified and characterized using tandem mass spectrometry (MS/MS) from ambient surfaces, in the open air. This method can provide almost instantaneous information while minimizing sample preparation, which is advantageous in terms of both cost and simplicity of analysis. This MS-based technique is applicable to a wide range of environmental organic molecules.

Simultaneous acquisition of 2D and 3D solid-state NMR experiments for sequential assignment of oriented membrane protein samples.

PubMed

Gopinath, T; Mote, Kaustubh R; Veglia, Gianluigi

2015-05-01

We present a new method called DAISY (Dual Acquisition orIented ssNMR spectroScopY) for the simultaneous acquisition of 2D and 3D oriented solid-state NMR experiments for membrane proteins reconstituted in mechanically or magnetically aligned lipid bilayers. DAISY utilizes dual acquisition of sine and cosine dipolar or chemical shift coherences and long living (15)N longitudinal polarization to obtain two multi-dimensional spectra, simultaneously. In these new experiments, the first acquisition gives the polarization inversion spin exchange at the magic angle (PISEMA) or heteronuclear correlation (HETCOR) spectra, the second acquisition gives PISEMA-mixing or HETCOR-mixing spectra, where the mixing element enables inter-residue correlations through (15)N-(15)N homonuclear polarization transfer. The analysis of the two 2D spectra (first and second acquisitions) enables one to distinguish (15)N-(15)N inter-residue correlations for sequential assignment of membrane proteins. DAISY can be implemented in 3D experiments that include the polarization inversion spin exchange at magic angle via I spin coherence (PISEMAI) sequence, as we show for the simultaneous acquisition of 3D PISEMAI-HETCOR and 3D PISEMAI-HETCOR-mixing experiments.

High-Resolution, Low-Cost Spectrometer-on-Chip

DTIC Science & Technology

2015-01-02

extracted for each PhCs for λ=400 and 500 nm, respectively; d) example of the spectral response of our prototype to two input filtered lights. aBeam...packed into the size of a USB key. Nano-spectrometers with a resolution down to 0.5 nm and a spectral range up to 229 nm were successfully demonstrated...Our miniaturized spectrometers are defining the state-of-the-art for on-chip spectroscopy, as well as in terms of spectral resolution and bandwidth

Nuclear science experiments with a bright neutron source from fusion reactions on the OMEGA Laser System

DOE Office of Scientific and Technical Information (OSTI.GOV)

Forrest, C. J.; Knauer, J. P.; Schroeder, W. U.

Subnanosecond impulses of 10 13 to 10 14 neutrons, produced in direct-drive laser inertial confinement fusion implosions, have been used to irradiate deuterated targets at the OMEGA Laser System [T. R. Boehly et al., Opt. Commun. 133, 495 (1997)]. The target compounds include heavy water (D 2O) and deuterated benzene (C 6D 6). Yields and energy spectra of neutrons from D(n,2n)p to study the breakup reaction have been measured at a forward angle of θlab = 3.5 degrees plus/minus 3.5 degrees with a sensitive, high-dynamic-range neutron time-of-flight spectrometer to infer the double-differential breakup cross section d2sigma/dEdomega for 14-MeV D–T fusionmore » neutrons.« less

Nuclear science experiments with a bright neutron source from fusion reactions on the OMEGA Laser System

DOE PAGES

Forrest, C. J.; Knauer, J. P.; Schroeder, W. U.; ...

2018-01-31

Subnanosecond impulses of 10 13 to 10 14 neutrons, produced in direct-drive laser inertial confinement fusion implosions, have been used to irradiate deuterated targets at the OMEGA Laser System [T. R. Boehly et al., Opt. Commun. 133, 495 (1997)]. The target compounds include heavy water (D 2O) and deuterated benzene (C 6D 6). Yields and energy spectra of neutrons from D(n,2n)p to study the breakup reaction have been measured at a forward angle of θlab = 3.5 degrees plus/minus 3.5 degrees with a sensitive, high-dynamic-range neutron time-of-flight spectrometer to infer the double-differential breakup cross section d2sigma/dEdomega for 14-MeV D–T fusionmore » neutrons.« less

Feedback-Based, System-Level Properties of Vertebrate-Microbial Interactions

PubMed Central

Rivas, Ariel L.; Jankowski, Mark D.; Piccinini, Renata; Leitner, Gabriel; Schwarz, Daniel; Anderson, Kevin L.; Fair, Jeanne M.; Hoogesteijn, Almira L.; Wolter, Wilfried; Chaffer, Marcelo; Blum, Shlomo; Were, Tom; Konah, Stephen N.; Kempaiah, Prakash; Ong’echa, John M.; Diesterbeck, Ulrike S.; Pilla, Rachel; Czerny, Claus-Peter; Hittner, James B.; Hyman, James M.; Perkins, Douglas J.

2013-01-01

Background Improved characterization of infectious disease dynamics is required. To that end, three-dimensional (3D) data analysis of feedback-like processes may be considered. Methods To detect infectious disease data patterns, a systems biology (SB) and evolutionary biology (EB) approach was evaluated, which utilizes leukocyte data structures designed to diminish data variability and enhance discrimination. Using data collected from one avian and two mammalian (human and bovine) species infected with viral, parasite, or bacterial agents (both sensitive and resistant to antimicrobials), four data structures were explored: (i) counts or percentages of a single leukocyte type, such as lymphocytes, neutrophils, or macrophages (the classic approach), and three levels of the SB/EB approach, which assessed (ii) 2D, (iii) 3D, and (iv) multi-dimensional (rotating 3D) host-microbial interactions. Results In all studies, no classic data structure discriminated disease-positive (D+, or observations in which a microbe was isolated) from disease-negative (D–, or microbial-negative) groups: D+ and D– data distributions overlapped. In contrast, multi-dimensional analysis of indicators designed to possess desirable features, such as a single line of observations, displayed a continuous, circular data structure, whose abrupt inflections facilitated partitioning into subsets statistically significantly different from one another. In all studies, the 3D, SB/EB approach distinguished three (steady, positive, and negative) feedback phases, in which D– data characterized the steady state phase, and D+ data were found in the positive and negative phases. In humans, spatial patterns revealed false-negative observations and three malaria-positive data classes. In both humans and bovines, methicillin-resistant Staphylococcus aureus (MRSA) infections were discriminated from non-MRSA infections. Conclusions More information can be extracted, from the same data, provided that data are structured, their 3D relationships are considered, and well-conserved (feedback-like) functions are estimated. Patterns emerging from such structures may distinguish well-conserved from recently developed host-microbial interactions. Applications include diagnosis, error detection, and modeling. PMID:23437039

n-SIFT: n-dimensional scale invariant feature transform.

PubMed

Cheung, Warren; Hamarneh, Ghassan

2009-09-01

We propose the n-dimensional scale invariant feature transform (n-SIFT) method for extracting and matching salient features from scalar images of arbitrary dimensionality, and compare this method's performance to other related features. The proposed features extend the concepts used for 2-D scalar images in the computer vision SIFT technique for extracting and matching distinctive scale invariant features. We apply the features to images of arbitrary dimensionality through the use of hyperspherical coordinates for gradients and multidimensional histograms to create the feature vectors. We analyze the performance of a fully automated multimodal medical image matching technique based on these features, and successfully apply the technique to determine accurate feature point correspondence between pairs of 3-D MRI images and dynamic 3D + time CT data.

Two-dimensional Core-collapse Supernova Explosions Aided by General Relativity with Multidimensional Neutrino Transport

NASA Astrophysics Data System (ADS)

O’Connor, Evan P.; Couch, Sean M.

2018-02-01

We present results from simulations of core-collapse supernovae in FLASH using a newly implemented multidimensional neutrino transport scheme and a newly implemented general relativistic (GR) treatment of gravity. We use a two-moment method with an analytic closure (so-called M1 transport) for the neutrino transport. This transport is multienergy, multispecies, velocity dependent, and truly multidimensional, i.e., we do not assume the commonly used “ray-by-ray” approximation. Our GR gravity is implemented in our Newtonian hydrodynamics simulations via an effective relativistic potential that closely reproduces the GR structure of neutron stars and has been shown to match GR simulations of core collapse quite well. In axisymmetry, we simulate core-collapse supernovae with four different progenitor models in both Newtonian and GR gravity. We find that the more compact proto–neutron star structure realized in simulations with GR gravity gives higher neutrino luminosities and higher neutrino energies. These differences in turn give higher neutrino heating rates (upward of ∼20%–30% over the corresponding Newtonian gravity simulations) that increase the efficacy of the neutrino mechanism. Three of the four models successfully explode in the simulations assuming GREP gravity. In our Newtonian gravity simulations, two of the four models explode, but at times much later than observed in our GR gravity simulations. Our results, in both Newtonian and GR gravity, compare well with several other studies in the literature. These results conclusively show that the approximation of Newtonian gravity for simulating the core-collapse supernova central engine is not acceptable. We also simulate four additional models in GR gravity to highlight the growing disparity between parameterized 1D models of core-collapse supernovae and the current generation of 2D models.

SPECT3D - A multi-dimensional collisional-radiative code for generating diagnostic signatures based on hydrodynamics and PIC simulation output

NASA Astrophysics Data System (ADS)

MacFarlane, J. J.; Golovkin, I. E.; Wang, P.; Woodruff, P. R.; Pereyra, N. A.

2007-05-01

SPECT3D is a multi-dimensional collisional-radiative code used to post-process the output from radiation-hydrodynamics (RH) and particle-in-cell (PIC) codes to generate diagnostic signatures (e.g. images, spectra) that can be compared directly with experimental measurements. This ability to post-process simulation code output plays a pivotal role in assessing the reliability of RH and PIC simulation codes and their physics models. SPECT3D has the capability to operate on plasmas in 1D, 2D, and 3D geometries. It computes a variety of diagnostic signatures that can be compared with experimental measurements, including: time-resolved and time-integrated spectra, space-resolved spectra and streaked spectra; filtered and monochromatic images; and X-ray diode signals. Simulated images and spectra can include the effects of backlighters, as well as the effects of instrumental broadening and time-gating. SPECT3D also includes a drilldown capability that shows where frequency-dependent radiation is emitted and absorbed as it propagates through the plasma towards the detector, thereby providing insights on where the radiation seen by a detector originates within the plasma. SPECT3D has the capability to model a variety of complex atomic and radiative processes that affect the radiation seen by imaging and spectral detectors in high energy density physics (HEDP) experiments. LTE (local thermodynamic equilibrium) or non-LTE atomic level populations can be computed for plasmas. Photoabsorption rates can be computed using either escape probability models or, for selected 1D and 2D geometries, multi-angle radiative transfer models. The effects of non-thermal (i.e. non-Maxwellian) electron distributions can also be included. To study the influence of energetic particles on spectra and images recorded in intense short-pulse laser experiments, the effects of both relativistic electrons and energetic proton beams can be simulated. SPECT3D is a user-friendly software package that runs on Windows, Linux, and Mac platforms. A parallel version of SPECT3D is supported for Linux clusters for large-scale calculations. We will discuss the major features of SPECT3D, and present example results from simulations and comparisons with experimental data.

Shift-Variant Multidimensional Systems.

DTIC Science & Technology

1985-05-29

i=0,1,** *N-1 in (3.1), one will get 0() i_0,1,* ,N-1 which is nonnegative due to the Perron - Frobenius Theorem [24]. That is, the A nonnegativity ...and the current input. The state-space model was extended in order to model 2-D discrete LSV systems with support on a causality cone . Subsequently...formulated as a special system of linear equations with nonnegative coefficients whose solution is required to satisfy con- straints like nonnegativity in

Reducing acquisition times in multidimensional NMR with a time-optimized Fourier encoding algorithm

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, Zhiyong; Department of Electronic Science, Fujian Provincial Key Laboratory of Plasma and Magnetic Resonance, Xiamen University, Xiamen, Fujian 361005; Smith, Pieter E. S.

Speeding up the acquisition of multidimensional nuclear magnetic resonance (NMR) spectra is an important topic in contemporary NMR, with central roles in high-throughput investigations and analyses of marginally stable samples. A variety of fast NMR techniques have been developed, including methods based on non-uniform sampling and Hadamard encoding, that overcome the long sampling times inherent to schemes based on fast-Fourier-transform (FFT) methods. Here, we explore the potential of an alternative fast acquisition method that leverages a priori knowledge, to tailor polychromatic pulses and customized time delays for an efficient Fourier encoding of the indirect domain of an NMR experiment. Bymore » porting the encoding of the indirect-domain to the excitation process, this strategy avoids potential artifacts associated with non-uniform sampling schemes and uses a minimum number of scans equal to the number of resonances present in the indirect dimension. An added convenience is afforded by the fact that a usual 2D FFT can be used to process the generated data. Acquisitions of 2D heteronuclear correlation NMR spectra on quinine and on the anti-inflammatory drug isobutyl propionic phenolic acid illustrate the new method's performance. This method can be readily automated to deal with complex samples such as those occurring in metabolomics, in in-cell as well as in in vivo NMR applications, where speed and temporal stability are often primary concerns.« less

Quasiballistic heat removal from small sources studied from first principles

NASA Astrophysics Data System (ADS)

Vermeersch, Bjorn; Mingo, Natalio

2018-01-01

Heat sources whose characteristic dimension R is comparable to phonon mean free paths display thermal resistances that exceed conventional diffusive predictions. This has direct implications to (opto)electronics thermal management and phonon spectroscopy. Theoretical analyses have so far limited themselves to particular experimental configurations. Here, we build upon the multidimensional Boltzmann transport equation (BTE) to derive universal expressions for the apparent conductivity suppression S (R ) =κeff(R ) /κbulk experienced by radially symmetric 2D and 3D sources. In striking analogy to cross-plane heat conduction in thin films, a distinct quasiballistic regime emerges between ballistic (κeff˜R ) and diffusive (κeff≃κbulk ) asymptotes that displays a logarithmic dependence κeff˜ln(R ) in single crystals and fractional power dependence κeff˜R2 -α in alloys (with α the Lévy superdiffusion exponent). Analytical solutions and Monte Carlo simulations for spherical and circular heat sources in Si, GaAs, Si0.99Ge0.01 , and Si0.82Ge0.18 , all carried out from first principles, confirm the predicted generic tendencies. Contrary to the thin film case, common approximations like kinetic theory estimates κeff≃∑Sωgreyκω and modified Fourier temperature curves perform relatively poorly. Up to threefold deviations from the BTE solutions for sub-100 nm sources underline the need for rigorous treatment of multidimensional nondiffusive transport.

Discrete decoding based ultrafast multidimensional nuclear magnetic resonance spectroscopy

NASA Astrophysics Data System (ADS)

Wei, Zhiliang; Lin, Liangjie; Ye, Qimiao; Li, Jing; Cai, Shuhui; Chen, Zhong

2015-07-01

The three-dimensional (3D) nuclear magnetic resonance (NMR) spectroscopy constitutes an important and powerful tool in analyzing chemical and biological systems. However, the abundant 3D information arrives at the expense of long acquisition times lasting hours or even days. Therefore, there has been a continuous interest in developing techniques to accelerate recordings of 3D NMR spectra, among which the ultrafast spatiotemporal encoding technique supplies impressive acquisition speed by compressing a multidimensional spectrum in a single scan. However, it tends to suffer from tradeoffs among spectral widths in different dimensions, which deteriorates in cases of NMR spectroscopy with more dimensions. In this study, the discrete decoding is proposed to liberate the ultrafast technique from tradeoffs among spectral widths in different dimensions by focusing decoding on signal-bearing sites. For verifying its feasibility and effectiveness, we utilized the method to generate two different types of 3D spectra. The proposed method is also applicable to cases with more than three dimensions, which, based on the experimental results, may widen applications of the ultrafast technique.

Evaluating Item Fit for Multidimensional Item Response Models

ERIC Educational Resources Information Center

Zhang, Bo; Stone, Clement A.

2008-01-01

This research examines the utility of the s-x[superscript 2] statistic proposed by Orlando and Thissen (2000) in evaluating item fit for multidimensional item response models. Monte Carlo simulation was conducted to investigate both the Type I error and statistical power of this fit statistic in analyzing two kinds of multidimensional test…

Optically Tunable Long Wavelength Infrared Quantum Cascade Laser Operated at Room Temperature

DTIC Science & Technology

2013-01-09

optics (Figure 2(d)). QCL emission spectra were obtained using a FTIR spectrometer with resolution of 0.125 cm1 and a photovoltaic MCT detector . A...frequency modulation (FM) optical data links,1 which can have orders of magnitude higher signal-to- noise ratio compared to the amplitude-modulation (AM

Measurement of helium-like and hydrogen-like argon spectra using double-crystal X-ray spectrometers on EAST

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lyu, B., E-mail: blu@ipp.ac.cn; Hefei Science Center, Chinese Academy of Sciences, Hefei 230031; Chen, J.

2016-11-15

A two-crystal assembly was deployed on the tangential X-ray crystal spectrometer to measure both helium-like and hydrogen-like spectra on EAST. High-quality helium-like and hydrogen-like spectra were observed simultaneously for the first time on one detector for a wide range of plasma parameters. Profiles of line-integrated core ion temperatures inferred from two spectra were consistent. Since tungsten was adopted as the upper divertor material, one tungsten line (W XLIV at 4.017 Å) on the short-wavelength side of the Lyman-α line (Lα1) was identified for typical USN discharges, which was diffracted by a He-like crystal (2d = 4.913 Å). Another possible Femore » XXV line (1.85 Å) was observed to be located on the long-wavelength side of resonance line (w), which was diffracted from a H-like crystal (2d = 4.5622 Å) on the second order. Be-like argon lines were also observable that fill the detector space between the He-like and H-like spectra.« less

Measurement of helium-like and hydrogen-like argon spectra using double-crystal X-ray spectrometers on EAST.

PubMed

Lyu, B; Chen, J; Hu, R J; Wang, F D; Li, Y Y; Fu, J; Shen, Y C; Bitter, M; Hill, K W; Delgado-Aparicio, L F; Pablant, N; Lee, S G; Ye, M Y; Shi, Y J; Wan, B N

2016-11-01

A two-crystal assembly was deployed on the tangential X-ray crystal spectrometer to measure both helium-like and hydrogen-like spectra on EAST. High-quality helium-like and hydrogen-like spectra were observed simultaneously for the first time on one detector for a wide range of plasma parameters. Profiles of line-integrated core ion temperatures inferred from two spectra were consistent. Since tungsten was adopted as the upper divertor material, one tungsten line (W XLIV at 4.017 Å) on the short-wavelength side of the Lyman-α line (Lα1) was identified for typical USN discharges, which was diffracted by a He-like crystal (2d = 4.913 Å). Another possible Fe XXV line (1.85 Å) was observed to be located on the long-wavelength side of resonance line (w), which was diffracted from a H-like crystal (2d = 4.5622 Å) on the second order. Be-like argon lines were also observable that fill the detector space between the He-like and H-like spectra.

Free energy surfaces for the interaction of D-glucose with planar aromatic groups in aqueous solution

NASA Astrophysics Data System (ADS)

Wohlert, Jakob; Schnupf, Udo; Brady, John W.

2010-10-01

Multidimensional potentials of mean force for the interactions in aqueous solution of both anomers of D-glucopyranose with two planar aromatic molecules, indole and para-methyl-phenol, have been calculated using molecular dynamics simulations with umbrella sampling and were subsequently used to estimate binding free energies. Indole and para-methyl-phenol serve as models for the side chains of the amino acids tryptophan and tyrosine, respectively. In all cases, a weak affinity between the glucose molecules and the flat aromatic surfaces was found. The global minimum for these interactions was found to be for the case when the pseudoplanar face of β-D-glucopyranose is stacked against the planar surfaces of the aromatic residues. The calculated binding free energies are in good agreement with both experiment and previous simulations. The multidimensional free energy maps suggest a mechanism that could lend kinetic stability to the complexes formed by sugars bound to sugar-binding proteins.

Simulation of range imaging-based estimation of respiratory lung motion. Influence of noise, signal dimensionality and sampling patterns.

PubMed

Wilms, M; Werner, R; Blendowski, M; Ortmüller, J; Handels, H

2014-01-01

A major problem associated with the irradiation of thoracic and abdominal tumors is respiratory motion. In clinical practice, motion compensation approaches are frequently steered by low-dimensional breathing signals (e.g., spirometry) and patient-specific correspondence models, which are used to estimate the sought internal motion given a signal measurement. Recently, the use of multidimensional signals derived from range images of the moving skin surface has been proposed to better account for complex motion patterns. In this work, a simulation study is carried out to investigate the motion estimation accuracy of such multidimensional signals and the influence of noise, the signal dimensionality, and different sampling patterns (points, lines, regions). A diffeomorphic correspondence modeling framework is employed to relate multidimensional breathing signals derived from simulated range images to internal motion patterns represented by diffeomorphic non-linear transformations. Furthermore, an automatic approach for the selection of optimal signal combinations/patterns within this framework is presented. This simulation study focuses on lung motion estimation and is based on 28 4D CT data sets. The results show that the use of multidimensional signals instead of one-dimensional signals significantly improves the motion estimation accuracy, which is, however, highly affected by noise. Only small differences exist between different multidimensional sampling patterns (lines and regions). Automatically determined optimal combinations of points and lines do not lead to accuracy improvements compared to results obtained by using all points or lines. Our results show the potential of multidimensional breathing signals derived from range images for the model-based estimation of respiratory motion in radiation therapy.

Automated two-dimensional interface for capillary gas chromatography

DOEpatents

Strunk, M.R.; Bechtold, W.E.

1996-02-20

A multidimensional gas chromatograph (GC) system is disclosed which has wide bore capillary and narrow bore capillary GC columns in series and has a novel system interface. Heart cuts from a high flow rate sample, separated by a wide bore GC column, are collected and directed to a narrow bore GC column with carrier gas injected at a lower flow compatible with a mass spectrometer. A bimodal six-way valve is connected with the wide bore GC column outlet and a bimodal four-way valve is connected with the narrow bore GC column inlet. A trapping and retaining circuit with a cold trap is connected with the six-way valve and a transfer circuit interconnects the two valves. The six-way valve is manipulated between first and second mode positions to collect analyte, and the four-way valve is manipulated between third and fourth mode positions to allow carrier gas to sweep analyte from a deactivated cold trap, through the transfer circuit, and then to the narrow bore GC capillary column for separation and subsequent analysis by a mass spectrometer. Rotary valves have substantially the same bore width as their associated columns to minimize flow irregularities and resulting sample peak deterioration. The rotary valves are heated separately from the GC columns to avoid temperature lag and resulting sample deterioration. 3 figs.

Automated two-dimensional interface for capillary gas chromatography

DOEpatents

Strunk, Michael R.; Bechtold, William E.

1996-02-20

A multidimensional gas chromatograph (GC) system having wide bore capillary and narrow bore capillary GC columns in series and having a novel system interface. Heart cuts from a high flow rate sample, separated by a wide bore GC column, are collected and directed to a narrow bore GC column with carrier gas injected at a lower flow compatible with a mass spectrometer. A bimodal six-way valve is connected with the wide bore GC column outlet and a bimodal four-way valve is connected with the narrow bore GC column inlet. A trapping and retaining circuit with a cold trap is connected with the six-way valve and a transfer circuit interconnects the two valves. The six-way valve is manipulated between first and second mode positions to collect analyte, and the four-way valve is manipulated between third and fourth mode positions to allow carrier gas to sweep analyte from a deactivated cold trap, through the transfer circuit, and then to the narrow bore GC capillary column for separation and subsequent analysis by a mass spectrometer. Rotary valves have substantially the same bore width as their associated columns to minimize flow irregularities and resulting sample peak deterioration. The rotary valves are heated separately from the GC columns to avoid temperature lag and resulting sample deterioration.

Spectrally efficient digitized radio-over-fiber system with k-means clustering-based multidimensional quantization.

PubMed

Zhang, Lu; Pang, Xiaodan; Ozolins, Oskars; Udalcovs, Aleksejs; Popov, Sergei; Xiao, Shilin; Hu, Weisheng; Chen, Jiajia

2018-04-01

We propose a spectrally efficient digitized radio-over-fiber (D-RoF) system by grouping highly correlated neighboring samples of the analog signals into multidimensional vectors, where the k-means clustering algorithm is adopted for adaptive quantization. A 30  Gbit/s D-RoF system is experimentally demonstrated to validate the proposed scheme, reporting a carrier aggregation of up to 40 100 MHz orthogonal frequency division multiplexing (OFDM) channels with quadrate amplitude modulation (QAM) order of 4 and an aggregation of 10 100 MHz OFDM channels with a QAM order of 16384. The equivalent common public radio interface rates from 37 to 150  Gbit/s are supported. Besides, the error vector magnitude (EVM) of 8% is achieved with the number of quantization bits of 4, and the EVM can be further reduced to 1% by increasing the number of quantization bits to 7. Compared with conventional pulse coding modulation-based D-RoF systems, the proposed D-RoF system improves the signal-to-noise-ratio up to ∼9  dB and greatly reduces the EVM, given the same number of quantization bits.

Infrared spectrometry of Venus: IR Fourier spectrometer on Venera 15 as a precursor of PFS for Venus express

NASA Astrophysics Data System (ADS)

Zasova, L. V.; Moroz, V. I.; Formisano, V.; Ignatiev, N. I.; Khatuntsev, I. V.

2004-01-01

Thermal infrared spectrometry in the range 6-40 μm with spectral resolution of 4.5-6.5 cm -1 was realized onboard of Venera 15 for the middle atmosphere of Venus investigations. The 3-D temperature and zonal wind fields ( h, ϕ, LT) in the range 55-100 km and the 3-D aerosol field ( h, ϕ, LT) in the range 55-70 km were retrieved and analyzed. The solar related waves at isobaric levels, generated by the absorbed solar energy, were investigated. In the thermal IR spectral range the, ν1, ν2 and ν3 SO 2 and the H 2O rotational (40 μm) and vibro-rotational (6.3 μm) absorption bands are observed and used for minor compounds retrieval. An advantage of the thermal infrared spectrometry method is that both the temperature and aerosol profiles, which need for retrieval of the vertical profiles of minor compounds, are evaluated from the same spectrum. The Fourier spectrometer on Venera-15 may be considered as a precursor of the Planetary Fourier Spectrometer (PI Prof. V. Formisano), which is included in the payload of the planned Venus Express mission. It has a spectral range 0.9-45 μm, separated into two channels: a short wavelength channel (SWC) in the range 0.9-5 μm and a long wavelength channel (LWC) from 6 to 45 μm, and spectral resolution of 1-2 cm -1. In the history of planetary Fourier spectrometry the PFS is a unique instrument, which possesses a short wavelength channel. A functioning of this instrument on the polar orbit with a good spatial and local time coverage will advance our knowledge in the fundamental problems of the Venus atmosphere.

Mass spectrometric studies of trimethylindium pyrolysis

NASA Technical Reports Server (NTRS)

Buchan, N. I.; Larsen, C. A.; Stringfellow, G. B.

1988-01-01

The kinetics of the pyrolysis of trimethylindium (TMIn) in He, D2, and H2 carriers was investigated using the atmospheric pressure flow-tube apparatus described by Larsen et al. (1987) and a time-of-flight mass spectrometer. The rate constant for the pyrolysis of TMIn in He was found to be comparable to that found by Jacko and Price (1964) for TMIn in toluene carrier (a radical scavenger), indicating that TMIn decomposes in He not by radical attack of methyl groups, but by homolytic fission. The decomposition of TMIn is enhanced in D2 and H2 carriers, where the principal products are CH3D and C2H6, and CH4 and C2H6, respectively, indicating that the reaction pathway in these carriers is different from those in He and toluene. The pyrolysis in H2 and D2 is attributed to a radical attack by H or D on TMIn. A reaction mechanism involving a short-lived hypervalent DTMIn species was proposed and was tested using numerical modeling techniques.

Unimolecular dissociation of protonated trans-1,4-diphenyl-2-butene-1,4-dione in the gas phase: rearrangement versus simple cleavage.

PubMed

Wu, Lianming; Liu, David Q; Vogt, Frederick G

2006-01-01

Fragmentation mechanisms of trans-1,4-diphenyl-2-butene-1,4-dione were studied using a variety of mass spectrometric techniques. The major fragmentation pathways occur by various rearrangements by loss of H(2)O, CO, H(2)O and CO, and CO(2). The other fragmentation pathways via simple alpha cleavages were also observed but accounted for the minor dissociation channels in both a two-dimensional (2-D) linear ion trap and a quadrupole time-of-flight (Q-TOF) mass spectrometer. The elimination of CO(2) (rather than CH(3)CHO or C(3)H(8)), which was confirmed by an exact mass measurement using the Q-TOF instrument, represented a major fragmentation pathway in the 2-D linear ion trap mass spectrometer. However, the elimination of H(2)O and CO becomes more competitive in the beam-type Q-TOF instrument. The loss of CO is observed in both the MS(2) experiment of m/z 237 and the MS(3) experiment of m/z 219 but via the different transition states. The data suggest that the olefinic double bond in protonated trans-1,4-diphenyl-2-butene-1,4-dione plays a key role in stabilizing the rearrangement transition states and increasing the bond dissociation (cleavage) energy to give favorable rearrangement fragmentation pathways. Copyright (c) 2006 John Wiley & Sons, Ltd.

Detector development for Jefferson Lab's 12GeV Upgrade

DOE PAGES

Qiang, Yi

2015-05-01

Jefferson Lab will soon finish its highly anticipated 12 GeV Upgrade. With doubled maximum energy, Jefferson Lab’s Continuous Electron Beam Accelerator Facility (CEBAF) will enable a new experimental program with substantial discovery potential, addressing important topics in nuclear, hadronic and electroweak physics. In order to take full advantage of the high energy, high luminosity beam, new detectors are being developed, designed and constructed to fit the needs of different physics topics. The paper will give an overview of various new detector technologies to be used for 12 GeV experiments. It will then focus on the development of two solenoid-based spectrometers,more » the GlueX and SoLID spectrometers. The GlueX experiment in Hall D will study the complex properties of gluons through exotic hybrid meson spectroscopy. The GlueX spectrometer, a hermetic detector package designed for spectroscopy and the associated partial wave analysis, is currently in the final stage of construction. Hall A, on the other hand, is developing the SoLID spectrometer to capture the 3D image of the nucleon from semi-inclusive processes and to study the intrinsic properties of quarks through mirror symmetry breaking. Such a spectrometer will have the capability to handle very high event rates while still maintaining a large acceptance in the forward region.« less

'Diamond' in 3-D

NASA Technical Reports Server (NTRS)

2004-01-01

This 3-D, microscopic imager mosaic of a target area on a rock called 'Diamond Jenness' was taken after NASA's Mars Exploration Rover Opportunity ground into the surface with its rock abrasion tool for a second time.

Opportunity has bored nearly a dozen holes into the inner walls of 'Endurance Crater.' On sols 177 and 178 (July 23 and July 24, 2004), the rover worked double-duty on Diamond Jenness. Surface debris and the bumpy shape of the rock resulted in a shallow and irregular hole, only about 2 millimeters (0.08 inch) deep. The final depth was not enough to remove all the bumps and leave a neat hole with a smooth floor. This extremely shallow depression was then examined by the rover's alpha particle X-ray spectrometer.

On Sol 178, Opportunity's 'robotic rodent' dined on Diamond Jenness once again, grinding almost an additional 5 millimeters (about 0.2 inch). The rover then applied its Moessbauer spectrometer to the deepened hole. This double dose of Diamond Jenness enabled the science team to examine the rock at varying layers. Results from those grindings are currently being analyzed.

The image mosaic is about 6 centimeters (2.4 inches) across.

The Complete Heavy-Atom Structure of a Cp-Ftmw Chiral Tag Precursor, Verbenone

NASA Astrophysics Data System (ADS)

Marshall, Frank E.; West, Channing; Sedo, Galen; Pate, Brooks; Grubbs, G. S., II

2017-06-01

The microwave spectrum of the chiral molecule verbenone has been recorded from 2-18 GHz using two CP-FTMW spectrometers. 2-8 GHz data has been acquired on a 2-8 GHz CP-FTMW located at the University of Virginia and 8-18 data has been acquired on a 6-18 GHz spectrometer located at Missouri S&T. From the experiments the authors were able to assign and fit isotopologues corresponding to each heavy atom position (either ^{13}C or ^{18}O), providing for the heavy-atom structure. Previous studies by Evans and coworkers have been added to these measurements in a global fit of the parent species. The measurement and assignment of these transitions provide preliminary information needed for enatiomeric excess experiments using CP-FTMW van der Waals-type chiral tagging processes already being performed at UVa. Details of the experiment, fits, and structure will be discussed. C. J. Evans, S. M. Allpress, P. D. Godfrey, D. McNaughton, 67th International Symposium on Molecular Spectroscopy, 2012, RH13 S. M. Allpress, Spectroscopic and Computational Chemistry Studies on Terpene Related Compounds, University of Leicester, 2015, Chapter 6: Microwave Spectroscopy of Verbenone

Microwave spectrum, structure and dipole moment of 4-fluorophenylacetylene (4FPA)

NASA Astrophysics Data System (ADS)

Jang, Heesu; Ka, Soohyun; Dikkumbura, Asela S.; Peebles, Rebecca A.; Peebles, Sean A.; Oh, Jung Jin

2017-04-01

Using a chirped-pulse Fourier-transform microwave (CP-FTMW) spectrometer, a 6-18 GHz spectrum of 4-fluorophenylacetylene (4FPA) was measured and only a-type R-branch transitions were observed up to J = 9. Rotational constants and quartic centrifugal distortion constants for the normal isotopic species were determined based on Watson-S reduction: A = 5652.812(22) MHz, B = 966.92885(11) MHz, C = 825.67680(11) MHz, DJ = 0.01377(60) kHz, and DJK = 0.2468(61) kHz, with other three distortion constants fixed as DK = 0.6629 kHz, d1 = 2.386 Hz, and d2 = 0.989 Hz from ab initio results. For six kinds of carbon-13 isotopic species, 10-15 transitions were detected by a resonant cavity FTMW spectrometer in natural abundance, and rotational constants of each species were also determined by fitting transition frequencies. Gaseous molecular structures of 4FPA were derived via the least-squares fitting (r0) and substitution (rs) methods, and ab initio optimization (re). They were compared to the structures of benzene derivatives having fluorine and the acetylenic group as substituents. In addition, dipole moment component of 4FPA was also determined to be μa = μtotal = 0.8935(9) D from Stark effect measurements.

Dual Etalon Cross Tilt Order Sorted Spectrometer (DECTOSS)

NASA Astrophysics Data System (ADS)

Kumer, John B.; Rairden, Richard L.; Mitchell, Keith E.; Roche, Aidan E.; Mergenthaler, John L.

2002-11-01

The Dual Etalon Cross Tilt Order Sorted Spectrometer (DECTOSS) uses relatively inexpensive off the shelf components in a small and simple package to provide ultra high spectral resolution over a limited spectral range. For example, the modest first try laboratory test setup DECTOSS we describe in this presentation achieves resolving power ~ 105 on a spectral range of about 1 nm centered near 760 nm. This ultra high spectral resolution facilitates some important atmospheric remote sensing applications including profiling cirrus and/or aerosol above bright reflective surfaces in the O2 A-band and the column measurements of CO and CO2 utilizing solar reflectance spectra. We show details of the how the use of ultra high spectral resolution in the O2 A-band improves the profiling of cirrus and aerosol. The DECTOSS utilizes a Narrow Band Spectral Filter (NBSF), a Low Resolution Etalon (LRE) and a High Resolution Etalon (HRE). Light passing through these elements is focused on to a 2 Dimensional Array Detector (2DAD). Off the shelf, solid etalons with airgap or solid spacer gap are used in this application. In its simplest application this setup utilizes a spatially uniform extended source so that spatial and spectral structure are not confused. In this presentation we'll show 2D spectral data obtained in a desktop test configuration, and in the first try laboratory test setup. These were obtained by illuminating a Lambertian screen with (1) monochromatic light, and (2) with atmospheric absorption spectra in the oxygen (O2) A-band. Extracting the 1D spectra from these data is a work in progress and we show preliminary results compared with (1) solar absorption data obtained with a large Echelle grating spectrometer, and (2) theoretical spectra. We point out areas for improvement in our laboratory test setup, and general improvements in spectral range and sensitivity that are planned for our next generation field test setup.

D2O self-broadening study in 2.5 μ

NASA Astrophysics Data System (ADS)

Lavrentieva, N.; Lugovskoi, A.; Sinitsa, L.; Sherbakov, A.; Svetlichny, O.

2014-11-01

The absorption spectra of the D2O monomer in 3600…4200 cm-1 were recorded using Fourier Transform spectrometer FS-125M at room temperature and pressure of 15 and 33 mbar with spectral resolution of 0.03 cm-1 using 2.5 cm long absorption cell. Strong unblended D2O lines lying on the wing of the H2O stretching band were used to determine the line broadening parameters. They were determined from the line profile by Program VxpProfile. The differences between fitted line profiles and experimental ones do not exceed 2%. Registered D2O lines belong to (011) - (000) and (110) - (000) bands of the second triad. Self-broadening coefficients vary from 0.27 cm-1/atm to 0.445 cm-1/atm and they exceed 3 times the D2O-N2 line broadening coefficients in the v3. Calculations of self-broadening coefficients of the D2O lines were performed using semiempirical method based on the impact theory of broadening and included the correction factors. The calculated results well agree with experimental data.

The Galileo probe mass spectrometer: composition of Jupiter's atmosphere

NASA Technical Reports Server (NTRS)

Niemann, H. B.; Atreya, S. K.; Carignan, G. R.; Donahue, T. M.; Haberman, J. A.; Harpold, D. N.; Hartle, R. E.; Hunten, D. M.; Kasprzak, W. T.; Mahaffy, P. R.;

The Galileo probe mass spectrometer: composition of Jupiter's atmosphere.

PubMed

Niemann, H B; Atreya, S K; Carignan, G R; Donahue, T M; Haberman, J A; Harpold, D N; Hartle, R E; Hunten, D M; Kasprzak, W T; Mahaffy, P R; Owen, T C; Spencer, N W; Way, S H

1996-05-10

The composition of the jovian atmosphere from 0.5 to 21 bars along the descent trajectory was determined by a quadrupole mass spectrometer on the Galileo probe. The mixing ratio of He (helium) to H2 (hydrogen), 0.156, is close to the solar ratio. The abundances of methane, water, argon, neon, and hydrogen sulfide were measured; krypton and xenon were detected. As measured in the jovian atmosphere, the amount of carbon is 2.9 times the solar abundance relative to H2, the amount of sulfur is greater than the solar abundance, and the amount of oxygen is much less than the solar abundance. The neon abundance compared with that of hydrogen is about an order of magnitude less than the solar abundance. Isotopic ratios of carbon and the noble gases are consistent with solar values. The measured ratio of deuterium to hydrogen (D/H) of (5 +/- 2) x 10(-5) indicates that this ratio is greater in solar-system hydrogen than in local interstellar hydrogen, and the 3He/4He ratio of (1.1 +/- 0.2) x 10(-4) provides a new value for protosolar (solar nebula) helium isotopes. Together, the D/H and 3He/4He ratios are consistent with conversion in the sun of protosolar deuterium to present-day 3He.

Systematic Evaluation of Non-Uniform Sampling Parameters in the Targeted Analysis of Urine Metabolites by 1H,1H 2D NMR Spectroscopy.

PubMed

Schlippenbach, Trixi von; Oefner, Peter J; Gronwald, Wolfram

2018-03-09

Non-uniform sampling (NUS) allows the accelerated acquisition of multidimensional NMR spectra. The aim of this contribution was the systematic evaluation of the impact of various quantitative NUS parameters on the accuracy and precision of 2D NMR measurements of urinary metabolites. Urine aliquots spiked with varying concentrations (15.6-500.0 µM) of tryptophan, tyrosine, glutamine, glutamic acid, lactic acid, and threonine, which can only be resolved fully by 2D NMR, were used to assess the influence of the sampling scheme, reconstruction algorithm, amount of omitted data points, and seed value on the quantitative performance of NUS in 1 H, 1 H-TOCSY and 1 H, 1 H-COSY45 NMR spectroscopy. Sinusoidal Poisson-gap sampling and a compressed sensing approach employing the iterative re-weighted least squares method for spectral reconstruction allowed a 50% reduction in measurement time while maintaining sufficient quantitative accuracy and precision for both types of homonuclear 2D NMR spectroscopy. Together with other advances in instrument design, such as state-of-the-art cryogenic probes, use of 2D NMR spectroscopy in large biomedical cohort studies seems feasible.

A Multidimensional Partial Credit Model with Associated Item and Test Statistics: An Application to Mixed-Format Tests

ERIC Educational Resources Information Center

Yao, Lihua; Schwarz, Richard D.

2006-01-01

Multidimensional item response theory (IRT) models have been proposed for better understanding the dimensional structure of data or to define diagnostic profiles of student learning. A compensatory multidimensional two-parameter partial credit model (M-2PPC) for constructed-response items is presented that is a generalization of those proposed to…

Core-collapse supernovae as supercomputing science: A status report toward six-dimensional simulations with exact Boltzmann neutrino transport in full general relativity

NASA Astrophysics Data System (ADS)

Kotake, Kei; Sumiyoshi, Kohsuke; Yamada, Shoichi; Takiwaki, Tomoya; Kuroda, Takami; Suwa, Yudai; Nagakura, Hiroki

2012-08-01

This is a status report on our endeavor to reveal the mechanism of core-collapse supernovae (CCSNe) by large-scale numerical simulations. Multi-dimensionality of the supernova engine, general relativistic magnetohydrodynamics, energy and lepton number transport by neutrinos emitted from the forming neutron star, as well as nuclear interactions there, are all believed to play crucial roles in repelling infalling matter and producing energetic explosions. These ingredients are non-linearly coupled with one another in the dynamics of core collapse, bounce, and shock expansion. Serious quantitative studies of CCSNe hence make extensive numerical computations mandatory. Since neutrinos are neither in thermal nor in chemical equilibrium in general, their distributions in the phase space should be computed. This is a six-dimensional (6D) neutrino transport problem and quite a challenge, even for those with access to the most advanced numerical resources such as the "K computer". To tackle this problem, we have embarked on efforts on multiple fronts. In particular, we report in this paper our recent progresses in the treatment of multidimensional (multi-D) radiation hydrodynamics. We are currently proceeding on two different paths to the ultimate goal. In one approach, we employ an approximate but highly efficient scheme for neutrino transport and treat 3D hydrodynamics and/or general relativity rigorously; some neutrino-driven explosions will be presented and quantitative comparisons will be made between 2D and 3D models. In the second approach, on the other hand, exact, but so far Newtonian, Boltzmann equations are solved in two and three spatial dimensions; we will show some example test simulations. We will also address the perspectives of exascale computations on the next generation supercomputers.

What is integrability of discrete variational systems?

PubMed

Boll, Raphael; Petrera, Matteo; Suris, Yuri B

2014-02-08

We propose a notion of a pluri-Lagrangian problem, which should be understood as an analogue of multi-dimensional consistency for variational systems. This is a development along the line of research of discrete integrable Lagrangian systems initiated in 2009 by Lobb and Nijhoff, however, having its more remote roots in the theory of pluriharmonic functions, in the Z -invariant models of statistical mechanics and their quasiclassical limit, as well as in the theory of variational symmetries going back to Noether. A d -dimensional pluri-Lagrangian problem can be described as follows: given a d -form [Formula: see text] on an m -dimensional space (called multi-time, m > d ), whose coefficients depend on a sought-after function x of m independent variables (called field), find those fields x which deliver critical points to the action functionals [Formula: see text] for any d -dimensional manifold Σ in the multi-time. We derive the main building blocks of the multi-time Euler-Lagrange equations for a discrete pluri-Lagrangian problem with d =2, the so-called corner equations, and discuss the notion of consistency of the system of corner equations. We analyse the system of corner equations for a special class of three-point two-forms, corresponding to integrable quad-equations of the ABS list. This allows us to close a conceptual gap of the work by Lobb and Nijhoff by showing that the corresponding two-forms are closed not only on solutions of (non-variational) quad-equations, but also on general solutions of the corresponding corner equations. We also find an example of a pluri-Lagrangian system not coming from a multi-dimensionally consistent system of quad-equations.

What is integrability of discrete variational systems?

PubMed Central

Boll, Raphael; Petrera, Matteo; Suris, Yuri B.

2014-01-01

We propose a notion of a pluri-Lagrangian problem, which should be understood as an analogue of multi-dimensional consistency for variational systems. This is a development along the line of research of discrete integrable Lagrangian systems initiated in 2009 by Lobb and Nijhoff, however, having its more remote roots in the theory of pluriharmonic functions, in the Z-invariant models of statistical mechanics and their quasiclassical limit, as well as in the theory of variational symmetries going back to Noether. A d-dimensional pluri-Lagrangian problem can be described as follows: given a d-form on an m-dimensional space (called multi-time, m>d), whose coefficients depend on a sought-after function x of m independent variables (called field), find those fields x which deliver critical points to the action functionals for any d-dimensional manifold Σ in the multi-time. We derive the main building blocks of the multi-time Euler–Lagrange equations for a discrete pluri-Lagrangian problem with d=2, the so-called corner equations, and discuss the notion of consistency of the system of corner equations. We analyse the system of corner equations for a special class of three-point two-forms, corresponding to integrable quad-equations of the ABS list. This allows us to close a conceptual gap of the work by Lobb and Nijhoff by showing that the corresponding two-forms are closed not only on solutions of (non-variational) quad-equations, but also on general solutions of the corresponding corner equations. We also find an example of a pluri-Lagrangian system not coming from a multi-dimensionally consistent system of quad-equations. PMID:24511254

Accelerating and focusing protein-protein docking correlations using multi-dimensional rotational FFT generating functions.

PubMed

Ritchie, David W; Kozakov, Dima; Vajda, Sandor

2008-09-01

Predicting how proteins interact at the molecular level is a computationally intensive task. Many protein docking algorithms begin by using fast Fourier transform (FFT) correlation techniques to find putative rigid body docking orientations. Most such approaches use 3D Cartesian grids and are therefore limited to computing three dimensional (3D) translational correlations. However, translational FFTs can speed up the calculation in only three of the six rigid body degrees of freedom, and they cannot easily incorporate prior knowledge about a complex to focus and hence further accelerate the calculation. Furthemore, several groups have developed multi-term interaction potentials and others use multi-copy approaches to simulate protein flexibility, which both add to the computational cost of FFT-based docking algorithms. Hence there is a need to develop more powerful and more versatile FFT docking techniques. This article presents a closed-form 6D spherical polar Fourier correlation expression from which arbitrary multi-dimensional multi-property multi-resolution FFT correlations may be generated. The approach is demonstrated by calculating 1D, 3D and 5D rotational correlations of 3D shape and electrostatic expansions up to polynomial order L=30 on a 2 GB personal computer. As expected, 3D correlations are found to be considerably faster than 1D correlations but, surprisingly, 5D correlations are often slower than 3D correlations. Nonetheless, we show that 5D correlations will be advantageous when calculating multi-term knowledge-based interaction potentials. When docking the 84 complexes of the Protein Docking Benchmark, blind 3D shape plus electrostatic correlations take around 30 minutes on a contemporary personal computer and find acceptable solutions within the top 20 in 16 cases. Applying a simple angular constraint to focus the calculation around the receptor binding site produces acceptable solutions within the top 20 in 28 cases. Further constraining the search to the ligand binding site gives up to 48 solutions within the top 20, with calculation times of just a few minutes per complex. Hence the approach described provides a practical and fast tool for rigid body protein-protein docking, especially when prior knowledge about one or both binding sites is available.

Characterization of bacterial structures in two-stage moving-bed biofilm reactor (MBBR) during nitrification of the landfill leachate.

PubMed

Ciesielski, Slawomir; Kulikowska, Dorota; Kaczowka, Ewelina; Kowal, Przemysław

2010-07-01

Differences in DNA banding patterns, obtained by ribosomal intergenic spacer analysis (RISA), and nitrification were followed in a moving-bed biofilm reactor (MBBR) receiving municipal landfill leachate. Complete nitrification (> 99%) to nitrate was obtained in the two-stage MBBR system with an ammonium load of 1.09 g N-NH(4)/m(2).d. Increasing the ammonium load to 2.03 g N-NH(4)/m(2).d or more caused a decline in process efficiency to 70-86%. Moreover, at the highest ammonium load (3.76 g N-NH(4)/m(2).d), nitrite was the predominant product of nitrification. Community succession was evident in both compartments in response to changes in ammonium load. Non-metric multidimensional scaling (NMDS) supported by similarity analysis (ANOSIM) showed that microbial biofilm communities differed between compartments. The microbial biofilm was composed mainly of ammonia-oxidizing bacteria (AOB), with Nitrosomonas europeae and N. eutropha being most abundant. These results suggest that high ammonium concentrations select for particular AOB strains.

Electron {sup 83}Rb/{sup 83m}Kr Source for the Energy Scale Monitoring in the KATRIN Experiment

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zboril, Miroslav; Nuclear Physics Institute of the ASCR, p. r. i., CZ-25068 Rez; Collaboration: KATRIN Collaboration

The KATRIN (KArlsruhe TRItium Neutrino) experiment investigates the endpoint region of the tritium {beta}-spectrum aiming for the sensitivity on the neutrino mass of 0.2 eV (90% C.L.). A spectrometer of the MAC-E filter (Magnetic Adiabatic Collimation with an Electrostatic filter) type will be used for a total time of at least 5 years. An unrecognized shift of the filtering potential would directly influence the resulting neutrino mass. To continuously monitor the filtering potential the high voltage (HV) will be simultaneously applied to an additional MAC-E filter spectrometer. In this monitor spectrometer suitable electron sources based on atomic/nuclear standards will bemore » utilized. As one of such monitoring tools the solid {sup 83}Rb/{sup 83m}Kr source is intended. It provides conversion electrons from {sup 83m}Kr(t{sub 1/2} = 1.83 h) which is continuously generated by {sup 83}Rb(t{sub 1/2}{approx_equal}86 d). The Calibration and Monitoring task of the KATRIN project demands the long-term energy stability {Delta}E/E of the K-32 conversion electron line (E = 17.8 keV, {Gamma} = 2.7 eV) of {+-}1.6 ppm/month.« less

The OI 989-A tropical nightglow

NASA Technical Reports Server (NTRS)

Abreu, V. J.; Solomon, S. C.; Dalgarno, A.; Yee, J. H.; Chakrabarti, S.

1984-01-01

Attention is given to the morphology and origin of the OI 989 A emission in the tropical nightglow. Dielectronic recombination of O(+) is suggested as the mechanism responsible for populating the 3s' 3D0 state of this 2p4 3P 3s' 3D0 emission. The spectrometer used is that aboard the STP 78-1 satellite, which is in sun-synchronous orbit. The emission morphology is characterized by tropical arcs on each side of the dip equator.

Dual fiber microprobe for mapping elemental distributions in biological cells

DOEpatents

Martin, Rodger C [Powell, TN; Martin, Madhavi Z [Powell, TN

2007-07-31

Laser-induced breakdown spectroscopy (LIBS) is applied on a microscale for in situ elemental analysis and spatial mapping in biological cells. A high power laser beam is focused onto a cell surface using a dual branching optical fiber probe for optical excitation of the cell constituents. Dual spectrometers and ICCD detectors capture the emission spectra from the excited cell(s). Repeated probing or repositioning of the laser beam with respect to the cell can provide 2-D or 3-D mapping of the cell.

Evidence of 9Be  +  p nuclear reactions during 2ω CH and hydrogen minority ICRH in JET-ILW hydrogen and deuterium plasmas

NASA Astrophysics Data System (ADS)

Krasilnikov, A. V.; Kiptily, V.; Lerche, E.; Van Eester, D.; Afanasyev, V. I.; Giroud, C.; Goloborodko, V.; Hellesen, C.; Popovichev, S. V.; Mironov, M. I.; contributors, JET

2018-02-01

The intensity of 9Be  +  p nuclear fusion reactions was experimentally studied during second harmonic (2ω CH) ion-cyclotron resonance heating (ICRH) and further analyzed during fundamental hydrogen minority ICRH of JET-ILW hydrogen and deuterium plasmas. In relatively low-density plasmas with a high ICRH power, a population of fast H+ ions was created and measured by neutral particle analyzers. Primary and secondary nuclear reaction products, due to 9Be  +  p interaction, were observed with fast ion loss detectors, γ-ray spectrometers and neutron flux monitors and spectrometers. The possibility of using 9Be(p, d)2α and 9Be(p, α)6Li nuclear reactions to create a population of fast alpha particles and study their behaviour in non-active stage of ITER operation is discussed in the paper.

Immersion echelle spectrograph

DOEpatents

Stevens, Charles G.; Thomas, Norman L.

2000-01-01

A small spectrograph containing no moving components and capable of providing high resolution spectra of the mid-infrared region from 2 microns to 4 microns in wavelength. The resolving power of the spectrograph exceeds 20,000 throughout this region and at an optical throughput of about 10.sup.-5 cm.sup.2 sr. The spectrograph incorporates a silicon immersion echelle grating operating in high spectral order combined with a first order transmission grating in a cross-dispersing configuration to provide a two-dimensional (2-D) spectral format that is focused onto a two-dimensional infrared detector array. The spectrometer incorporates a common collimating and condensing lens assembly in a near aberration-free axially symmetric design. The spectrometer has wide use potential in addition to general research, such as monitoring atmospheric constituents for air quality, climate change, global warming, as well as monitoring exhaust fumes for smog sources or exhaust plumes for evidence of illicit drug manufacture.

Elimination of uncertainty in solving system of multidimensional differential equations in X for identification of silver nanoparticles on fibers

NASA Astrophysics Data System (ADS)

Emelyanov, V. M.; Dobrovolskaya, T. A.; Emelyanov, V. V.

2018-05-01

In the article, an increase of the sensitivity of identification of biologically active metal silver nanoparticles to cancer cells is considered to be based on the results of compiling a system of multidimensional differential equations with respect to X of the ellipses of probabilistic intersection of the spectra of a Raman polarization spectrometer. The nine main peaks of the spectrum of polyester fibers with silver nanoparticles and without them are analyzed with polarization along the X-transverse and Y-along fibers directions. The correlation matrices of the interconnection of peaks of the Raman spectrum are to be introduced into differential equations. During the solution of the system of equations, there is an intersection of the ellipses of the distribution of the statistical data of peak measurements. When checking the solution from the graphical estimation of the intersection of the ellipses of the data distribution of the Raman spectra, there was a 20% error detected in determining the radii of curvature R0 and R1. To eliminate the uncertainty, numerical additive Δ = + 0.34342 is introduced into the differential equation and when solving this system of differential equations with the additive, the accuracy is (-1.42 · 10-14 ÷ 1.94 · 10-15) with the radius of curvature R0 = R1 = 3.458112896121225 at a sufficiently high accuracy of 10-14

Thermal conductivity of 2D nano-structured graphitic materials and their composites with epoxy resins

NASA Astrophysics Data System (ADS)

Mu, Mulan; Wan, Chaoying; McNally, Tony

2017-12-01

The outstanding thermal conductivity (λ) of graphene and its derivatives offers a potential route to enhance the thermal conductivity of epoxy resins. Key challenges still need to be overcome to ensure effective dispersion and distribution of 2D graphitic fillers throughout the epoxy matrix. 2D filler type, morphology, surface chemistry and dimensions are all important factors in determining filler thermal conductivity and de facto the thermal conductivity of the composite material. To achieve significant enhancement in the thermal conductivity of epoxy composites, different strategies are required to minimise phonon scattering at the interface between the nano-filler and epoxy matrix, including chemical functionalisation of the filler surfaces such that interactions between filler and matrix are promoted and interfacial thermal resistance (ITR) reduced. The combination of graphitic fillers with dimensions on different length scales can potentially form an interconnected multi-dimensional filler network and, thus contribute to enhanced thermal conduction. In this review, we describe the relevant properties of different 2D nano-structured graphitic materials and the factors which determine the translation of the intrinsic thermal conductivity of these 2D materials to epoxy resins. The key challenges and perspectives with regard achieving epoxy composites with significantly enhanced thermal conductivity on addition of 2D graphitic materials are presented.

Multidimensional protein fractionation using ProteomeLab PF 2D™ for profiling amyotrophic lateral sclerosis immunity: A preliminary report

PubMed Central

Schlautman, Joshua D; Rozek, Wojciech; Stetler, Robert; Mosley, R Lee; Gendelman, Howard E; Ciborowski, Pawel

2008-01-01

Background The ProteomeLab™ PF 2D platform is a relatively new approach to global protein profiling. Herein, it was used for investigation of plasma proteome changes in amyotrophic lateral sclerosis (ALS) patients before and during immunization with glatiramer acetate (GA) in a clinical trial. Results The experimental design included immunoaffinity depletion of 12 most abundant proteins from plasma samples with the ProteomeLab™ IgY-12 LC10 column kit as first dimension separation, also referred to as immuno-partitioning. Second and third dimension separations of the enriched proteome were performed on the PF 2D platform utilizing 2D isoelectric focusing and RP-HPLC with the resulting fractions collected for analysis. 1D gel electrophoresis was added as a fourth dimension when sufficient protein was available. Protein identification from collected fractions was performed using nano-LC-MS/MS approach. Analysis of differences in the resulting two-dimensional maps of fractions obtained from the PF 2D and the ability to identify proteins from these fractions allowed sensitivity threshold measurements. Masked proteins in the PF 2D fractions are discussed. Conclusion We offer some insight into the strengths and limitations of this emerging proteomic platform. PMID:18789151

Johann Spectrometer for High Resolution X-ray Spectroscopy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Machek, Pavel; Froeba, Michael; Welter, Edmund

2007-01-19

A newly designed vacuum Johann spectrometer with a large focusing analyzer crystal for inelastic x-ray scattering and high resolution fluorescence spectroscopy has been installed at the DORIS III storage ring. Spherically bent crystals with a maximum diameter of 125 mm, and cylindrically bent crystals are employed as dispersive optical elements. Standard radius of curvature of the crystals is 1000 mm, however, the design of the mechanical components also facilitates measurements with smaller and larger bending radii. Up to four crystals are mounted on a revolving crystal changer which enables crystal changes without breaking the vacuum. The spectrometer works at fixedmore » Bragg angle. It is preferably designed for the measurements in non-scanning mode with a broad beam spot, and offers a large flexibility to set the sample to the optimum position inside the Rowland circle. A deep depletion CCD camera is employed as a position sensitive detector to collect the energy-analyzed photons on the circumference of the Rowland circle. The vacuum in the spectrometer tank is typically 10-6 mbar. The sample chamber is separated from the tank either by 25 {mu}m thick Kapton windows, which allows samples to be measured under ambient conditions, or by two gate valves. The spectrometer is currently installed at wiggler beamline W1 whose working range is 4-10.5 keV with typical flux at the sample of 5x1010photons/s/mm2. The capabilities of the spectrometer are illustrated by resonant inelastic experiments on 3d transition metals and rare earth compounds, and by chemical shift measurements on chromium compounds.« less

Models for Multidimensional Tests and Hierarchically Structured Training Materials.

DTIC Science & Technology

1985-05-01

NAVOP 01B7 Washington, DC 20370 Dr. Hans Crombag University of Leyden Mr. Raymond E. Christal Education Research Center AFHRL/MOE Boerhaavelaan 2 Brooks...AFB, TX 78235 2334 EN Leyden The NETHERLANDS Dr. Norman Cliff Department of Psychology CTB/McGraw-Hill Library Univ. of So. Californ.a 2500 Garden Road...Diego, CA 92152 A[USTRALIA Ms. Kathleen Moreno Dr. William L. Maloy (02) Navy Personnel R&D Center Chief of Naval Education Code 62 and Training San Diego

Ultrafast Multi-Dimensional Infrared Vibrational Echo Spectroscopy of Molecular Dynamics on Surfaces and in Bulk Systems

DTIC Science & Technology

2012-02-28

dimethylsulfoxide ( DMSO ). When chloroform is dissolved in a mixed solvent consisting of acetone and DMSO , both types of hydrogen bonded complexes exist. The...transition (negative) in the 2D IR spectrum. Also, line shape distortions caused by solvent background absorption and finite pulse durations do not affect...conditions as  = 7  1 ps. This is the first direct measurement of hydrogen bond exchange. b. Solute- Solvent Complex Switching Dynamics3 Hydrogen

Fast-ion Dα spectrum diagnostic in the EAST

NASA Astrophysics Data System (ADS)

Hou, Y. M.; Wu, C. R.; Huang, J.; Heidbrink, W. W.; von Hellermann, M. G.; Xu, Z.; Jin, Z.; Chang, J. F.; Zhu, Y. B.; Gao, W.; Chen, Y. J.; Lyu, B.; Hu, R. J.; Zhang, P. F.; Zhang, L.; Gao, W.; Wu, Z. W.; Yu, Y.; Ye, M. Y.

2016-11-01

In toroidal magnetic fusion devices, fast-ion D-alpha diagnostic (FIDA) is a powerful method to study the fast-ion feature. The fast-ion characteristics can be inferred from the Doppler shifted spectrum of Dα light according to charge exchange recombination process between fast ions and probe beam. Since conceptual design presented in the last HTPD conference, significant progress has been made to apply FIDA systems on the Experimental Advanced Superconducting Tokamak (EAST). Both co-current and counter-current neutral beam injectors are available, and each can deliver 2-4 MW beam power with 50-80 keV beam energy. Presently, two sets of high throughput spectrometer systems have been installed on EAST, allowing to capture passing and trapped fast-ion characteristics simultaneously, using Kaiser HoloSpec transmission grating spectrometer and Bunkoukeiki FLP-200 volume phase holographic spectrometer coupled with Princeton Instruments ProEM 1024B eXcelon and Andor DU-888 iXon3 1024 CCD camera, respectively. This paper will present the details of the hardware descriptions and experimental spectrum.

Neutral atmosphere composition from SOIR measurements on board Venus Express

NASA Astrophysics Data System (ADS)

Mahieux, A.; Drummond, R.; Wilquet, V.; Vandaele, A. C.; Federova, A.; Belyaev, D.; Korablev, O.; Villard, E.; Montmessin, F.; Bertaux, J.-L.

2009-04-01

The SOIR instrument performs solar occultation measurements in the IR region (2.2 - 4.3 m) at a resolution of 0.12 cm-1, the highest on board Venus Express. It combines an echelle spectrometer and an AOTF (Acousto-Optical Tunable Filter) for the order selection [1,2]. The wavelength range probed by SOIR allows a detailed chemical inventory of the Venus atmosphere above the cloud layer with an emphasis on vertical distribution of the gases. Measurements of HDO, H2O, HCl, HF, CO and CO2 vertical profiles have been routinely performed, as well as those of their isotopologues [3,4]. We will discuss the improvements introduced in the analysis algorithm of the SOIR spectra. This discussion will be illustrated by presenting new results of retrievals of minor constituents of the Venus mesosphere, in terms of vertical profiles and geographical distribution. CO2 is the major constituent of the Venus atmosphere and was therefore observed in many solar occultations, leading to a good geographical coverage, although limited by the geometry of the orbit. Depending on the abundance of the absorbing isotopologue and on the intensity of the band measured, we will show that the SOIR instrument is able to furnish CO2 vertical profiles ranging typically from 65 to 150 km, reaching in some conditions 185 km altitude. This information is important in the frame of compiling, in collaboration with other teams, a new Venus Atmosphere Model. 1. A. Mahieux, S. Berkenbosch, R. Clairquin, D. Fussen, N. Mateshvili, E. Neefs, D. Nevejans, B. Ristic, A. C. Vandaele, V. Wilquet, D. Belyaev, A. Fedorova, O. Korablev, E. Villard, F. Montmessin and J.-L. Bertaux, "In-Flight performance and calibration of SPICAV SOIR on board Venus Express", Applied Optics 47 (13), 2252-65 (2008). 2. D. Nevejans, E. Neefs, E. Van Ransbeeck, S. Berkenbosch, R. Clairquin, L. De Vos, W. Moelans, S. Glorieux, A. Baeke, O. Korablev, I. Vinogradov, Y. Kalinnikov, B. Bach, J.-P. Dubois and E. Villard, "Compact high-resolution space-borne echelle grating spectrometer with AOTF based on order sorting for the infrared domain from 2.2 to 4.3 micrometer", Applied Optics 45 (21), 5191-5206 (2006). 3. A. Fedorova, O. Korablev, A. C. Vandaele, J.-L. Bertaux, D. Belyaev, A. Mahieux, E. Neefs, V. Wilquet, R. Drummond, F. Montmessin and E. Villard, "HDO and H2O vertical distribution and isotopic ratio in the Venus mesosphere by SOIR spectrometer on board Venus Express", JGR, doi:10.1029/2008JE003146 (2008). 4. A. C. Vandaele, M. De Mazière, R. Drummond, A. Mahieux, E. Neefs, V. Wilquet, D. Belyaev, A. Fedorova, O. Korablev, F. Montmessin and J.-L. Bertaux, "Composition of the Venus mesosphere measured by SOIR on board Venus Express", J. Geophysic. Res., doi:10.1029/2008JE003140 (2008).

Augmented Articles: The Future of Peer-Reviewed Publications?

NASA Astrophysics Data System (ADS)

Madura, Thomas Ignatius; Clementel, Nicola; Gull, Theodore R.

2015-08-01

The predominance of 2D figures and animations in the literature is clearly driven by the need to display data in a classic paper-journal format. However, there is no real reason that researchers should be limited to 2D graphics when presenting their results in peer-reviewed publications. This is especially true since all major astrophysical journals are now published online. So-called ‘augmented articles’ are possible, in which 3D interactive models, images, sound, and video can be included directly within an Adobe Portable Document Format (PDF) article. The inclusion of 3D interactive models in the astrophysics literature is slowly becoming popular, and several journals now fully support the inclusion of 3D interactive figures and movies. I present examples of recently published augmented articles in astronomy (e.g. Madura et al. 2015, arXiv:1503.00716) and discuss their perceived benefits and limitations. Such articles may become the norm in astronomy as data and numerical simulations increasingly become multidimensional (see http://www.technologyreview.com/view/535796/astronomers-create-3-d-printed-model-of-colliding-stellar-winds/).

Parallel computing using a Lagrangian formulation

NASA Technical Reports Server (NTRS)

Liou, May-Fun; Loh, Ching Yuen

1991-01-01

A new Lagrangian formulation of the Euler equation is adopted for the calculation of 2-D supersonic steady flow. The Lagrangian formulation represents the inherent parallelism of the flow field better than the common Eulerian formulation and offers a competitive alternative on parallel computers. The implementation of the Lagrangian formulation on the Thinking Machines Corporation CM-2 Computer is described. The program uses a finite volume, first-order Godunov scheme and exhibits high accuracy in dealing with multidimensional discontinuities (slip-line and shock). By using this formulation, a better than six times speed-up was achieved on a 8192-processor CM-2 over a single processor of a CRAY-2.

Airborne Single Particle Mass Spectrometers (SPLAT II & miniSPLAT) and New Software for Data Visualization and Analysis in a Geo-Spatial Context

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zelenyuk, Alla; Imre, D.; Wilson, Jacqueline M.

2015-02-01

Understanding the effect of aerosols on climate requires knowledge of the size and chemical composition of individual aerosol particles - two fundamental properties that determine an aerosol’s optical properties and ability to serve as cloud condensation or ice nuclei. Here we present miniSPLAT, our new aircraft compatible single particle mass spectrometer, that measures in-situ and in real-time size and chemical composition of individual aerosol particles with extremely high sensitivity, temporal resolution, and sizing precision on the order of a monolayer. miniSPLAT operates in dual data acquisition mode to measure, in addition to single particle size and composition, particle number concentrations,more » size distributions, density, and asphericity with high temporal resolution. When compared to our previous instrument, SPLAT II, miniSPLAT has been significantly reduced in size, weight, and power consumption without loss in performance. We also present ND-Scope, our newly developed interactive visual analytics software package. ND-Scope is designed to explore and visualize the vast amount of complex, multidimensional data acquired by our single particle mass spectrometers, along with other aerosol and cloud characterization instruments on-board aircraft. We demonstrate that ND-Scope makes it possible to visualize the relationships between different observables and to view the data in a geo-spatial context, using the interactive and fully coupled Google Earth and Parallel Coordinates displays. Here we illustrate the utility of ND-Scope to visualize the spatial distribution of atmospheric particles of different compositions, and explore the relationship between individual particle composition and their activity as cloud condensation nuclei.« less

Systematic stratospheric observations on the Antarctic continent at Dumont d'Urville

NASA Technical Reports Server (NTRS)

Godin, S.; Sarkissian, A.; David, C.; Megie, G.; Pommereau, J. P.; Goutail, F.; Aimedieu, P.; Piquard, J.; Lebouar, E.; Stefanutti, L.

1994-01-01

Results of different routine measurements performed in Dumont d'Urville (66 deg S, 140 deg E) since 1988 are presented. They include the seasonal variation of total ozone and NO2 as measured by a SAOZ UV-Visible spectrometer, Polar Stratospheric Cloud observations by a backscatter lidar and more recently, vertical ozone profiles by ECC sondes and ozone and aerosols stratospheric profiles by a DIAL lidar. The particular results of 1991 in relation with the volcanic events of Mount Pinatubo and Mount Hudson, and the position of the polar vortex over Dumont d'Urville are discussed.

Variation in sulfur dioxide emissions related to earth tides, Halemaumau crater, Kilauea volcano, Hawaii

NASA Technical Reports Server (NTRS)

Connor, Charles B.; Stoiber, Richard E.; Malinconico, Lawrence L., Jr.

1988-01-01

Variation in SO2 emissions from Halemaumau crater, Kilauea volcano, Hawaii is analyzed using a set of techniques known as exploratory data analysis. SO2 flux was monitored using a correlation spectrometer. A total of 302 measurements were made on 73 days over a 90-day period. The mean flux was 171 t/d with a standard deviation of 52 t/d. A significant increase in flux occurs during increased seismic activity beneath the caldera. SO2 flux prior to this change varies in a systematic way and may be related to variation in the tidal modulation envelope.

Mass separation of deuterium and helium with conventional quadrupole mass spectrometer by using varied ionization energy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yu, Yaowei; Hu, Jiansheng, E-mail: hujs@ipp.ac.cn; Wan, Zhao

2016-03-15

Deuterium pressure in deuterium-helium mixture gas is successfully measured by a common quadrupole mass spectrometer (model: RGA200) with a resolution of ∼0.5 atomic mass unit (AMU), by using varied ionization energy together with new developed software and dedicated calibration for RGA200. The new software is developed by using MATLAB with the new functions: electron energy (EE) scanning, deuterium partial pressure measurement, and automatic data saving. RGA200 with new software is calibrated in pure deuterium and pure helium 1.0 × 10{sup −6}–5.0 × 10{sup −2} Pa, and the relation between pressure and ion current of AMU4 under EE = 25 eVmore » and EE = 70 eV is obtained. From the calibration result and RGA200 scanning with varied ionization energy in deuterium and helium mixture gas, both deuterium partial pressures (P{sub D{sub 2}}) and helium partial pressure (P{sub He}) could be obtained. The result shows that deuterium partial pressure could be measured if P{sub D{sub 2}} > 10{sup −6} Pa (limited by ultimate pressure of calibration vessel), and helium pressure could be measured only if P{sub He}/P{sub D{sub 2}} > 0.45, and the measurement error is evaluated as 15%. This method is successfully employed in EAST 2015 summer campaign to monitor deuterium outgassing/desorption during helium discharge cleaning.« less

Response function of single crystal synthetic diamond detectors to 1-4 MeV neutrons for spectroscopy of D plasmas

NASA Astrophysics Data System (ADS)

Rebai, M.; Giacomelli, L.; Milocco, A.; Nocente, M.; Rigamonti, D.; Tardocchi, M.; Camera, F.; Cazzaniga, C.; Chen, Z. J.; Du, T. F.; Fan, T. S.; Giaz, A.; Hu, Z. M.; Marchi, T.; Peng, X. Y.; Gorini, G.

2016-11-01

A Single-crystal Diamond (SD) detector prototype was installed at Joint European Torus (JET) in 2013 and the achieved results have shown its spectroscopic capability of measuring 2.5 MeV neutrons from deuterium plasmas. This paper presents measurements of the SD response function to monoenergetic neutrons, which is a key point for the development of a neutron spectrometer based on SDs and compares them with Monte Carlo simulations. The analysis procedure allows for a good reconstruction of the experimental results. The good pulse height energy resolution (equivalent FWHM of 80 keV at 2.5 MeV), gain stability, insensitivity to magnetic field, and compact size make SDs attractive as compact neutron spectrometers of high flux deuterium plasmas, such as for instance those needed for the ITER neutron camera.

IMS applications analysis

DOE Office of Scientific and Technical Information (OSTI.GOV)

RODACY,PHILIP J.; REBER,STEPHEN D.; SIMONSON,ROBERT J.

This report examines the market potential of a miniature, hand-held Ion Mobility Spectrometer. Military and civilian markets are discussed, as well as applications in a variety of diverse fields. The strengths and weaknesses of competing technologies are discussed. An extensive Ion Mobility Spectrometry (IMS) bibliography is included. The conclusions drawn from this study are: (1) There are a number of competing technologies that are capable of detecting explosives, drugs, biological, or chemical agents. The IMS system currently represents the best available compromise regarding sensitivity, specificity, and portability. (2) The military market is not as large as the commercial market, butmore » the military services are more likely to invest R and D funds in the system. (3) Military applications should be addressed before commercial applications are addressed. (4) There is potentially a large commercial market for rugged, hand-held Ion Mobility Spectrometer systems. Commercial users typically do not invest R and D funds in this type of equipment rather, they wait for off-the-shelf availability.« less

Characterization of spatially resolved high resolution x-ray spectrometers for HEDP and light-source experiments

NASA Astrophysics Data System (ADS)

Hill, K. W.; Bitter, M.; Delgado-Aparicio, L.; Efthimion, P.; Pablant, N.; Lu, J.; Beiersdorfer, P.; Chen, H.; Magee, E.

2014-10-01

A high resolution 1D imaging x-ray spectrometer concept comprising a spherically bent crystal and a 2D pixelated detector is being optimized for diagnostics of small sources such as high energy density physics (HEDP) and synchrotron radiation or x-ray free electron laser experiments. This instrument is used on tokamak experiments for measurement of spatial profiles of Doppler ion temperature and plasma flow velocity, as well as electron temperature. Laboratory measurements demonstrate a resolving power, E/ ΔE of 10,000 and spatial resolution better than 10 μm. Good performance is obtained for Bragg angles ranging from 23 to 63 degrees. Initial tests of the instrument on HEDP plasmas are being performed with a goal of developing spatially resolved ion and electron temperature diagnostics. This work was performed under the auspices of the US DOE by PPPL under Contract DE-AC02-09CH11466 and by LLNL under Contract DE-AC52-07NA27344.

Measurement and Interpretation of DT Neutron Emission from Tftr.

NASA Astrophysics Data System (ADS)

McCauley, John Scott, Jr.

A fast-ion diffusion coefficient of 0.1 +/- 0.1 m^2s ^{-1} has been deduced from the triton burnup neutron emission profile measured by a collimated array of helium-4 spectrometers. The experiment was performed with high-power deuterium discharges produced by Princeton University's Tokamak Fusion Test Reactor (TFTR). The fast ions monitored were the 1.0 MeV tritons produced from the d(d,t)p triton burnup reaction. These tritons "burn up" with deuterons and emit a 14 MeV neutron by the d(t, alpha)n reaction. The measured radial profiles of DT emission were compared with the predictions of a computer transport code. The ratio of the measured-to -calculated DT yield is typically 70%. The measured DT profile width is typically 5 cm larger than predicted by the transport code. The radial 14 MeV neutron profile was measured by a radial array of helium-4 recoil neutron spectrometers installed in the TFTR Multichannel Neutron Collimator (MCNC). The spectrometers are capable of measuring the primary and secondary neutron fluxes from deuterium discharges. The response to 14 MeV neutrons of the array has been measured by cross calibrating with the MCNC ZnS detector array when the emission from TFTR is predominantly DT neutrons. The response was also checked by comparing a model of the recoil spectrum based on nuclear physics data to the observed spectrum from ^{252 }Cf, ^{238}Pu -Be, and DT neutron sources. Extensions of this diagnostic to deuterium-tritium plasma and the implications for fusion research are discussed.

Experimental and Computational Analysis of Unidirectional Flow Through Stirling Engine Heater Head

NASA Technical Reports Server (NTRS)

Wilson, Scott D.; Dyson, Rodger W.; Tew, Roy C.; Demko, Rikako

2006-01-01

A high efficiency Stirling Radioisotope Generator (SRG) is being developed for possible use in long-duration space science missions. NASA s advanced technology goals for next generation Stirling convertors include increasing the Carnot efficiency and percent of Carnot efficiency. To help achieve these goals, a multi-dimensional Computational Fluid Dynamics (CFD) code is being developed to numerically model unsteady fluid flow and heat transfer phenomena of the oscillating working gas inside Stirling convertors. In the absence of transient pressure drop data for the zero mean oscillating multi-dimensional flows present in the Technology Demonstration Convertors on test at NASA Glenn Research Center, unidirectional flow pressure drop test data is used to compare against 2D and 3D computational solutions. This study focuses on tracking pressure drop and mass flow rate data for unidirectional flow though a Stirling heater head using a commercial CFD code (CFD-ACE). The commercial CFD code uses a porous-media model which is dependent on permeability and the inertial coefficient present in the linear and nonlinear terms of the Darcy-Forchheimer equation. Permeability and inertial coefficient were calculated from unidirectional flow test data. CFD simulations of the unidirectional flow test were validated using the porous-media model input parameters which increased simulation accuracy by 14 percent on average.

Magnetic Helicity of Alfven Simple Waves

NASA Technical Reports Server (NTRS)

Webb, Gary M.; Hu, Q.; Dasgupta, B.; Zank, G. P.; Roberts, D.

2010-01-01

The magnetic helicity of fully nonlinear, multi-dimensional Alfven simple waves are investigated, by using relative helicity formulae and also by using an approach involving poloidal and toroidal decomposition of the magnetic field and magnetic vector potential. Different methods to calculate the magnetic vector potential are used, including the homotopy and Biot-Savart formulas. Two basic Alfven modes are identified: (a) the plane 1D Alfven simple wave given in standard texts, in which the Alfven wave propagates along the z-axis, with wave phase varphi=k_0(z-lambda t), where k_0 is the wave number and lambda is the group velocity of the wave, and (b)\\ the generalized Barnes (1976) simple Alfven wave in which the wave normal {bf n} moves in a circle in the xy-plane perpendicular to the mean field, which is directed along the z-axis. The plane Alfven wave (a) is analogous to the slab Alfven mode and the generalized Barnes solution (b) is analogous to the 2D mode in Alfvenic, incompressible turbulence. The helicity characteristics of these two basic Alfven modes are distinct. The helicity characteristics of more general multi-dimensional simple Alfven waves are also investigated. Applications to nonlinear Aifvenic fluctuations and structures observed in the solar wind are discussed.

Maximum-Likelihood Estimation With a Contracting-Grid Search Algorithm

PubMed Central

Hesterman, Jacob Y.; Caucci, Luca; Kupinski, Matthew A.; Barrett, Harrison H.; Furenlid, Lars R.

2010-01-01

A fast search algorithm capable of operating in multi-dimensional spaces is introduced. As a sample application, we demonstrate its utility in the 2D and 3D maximum-likelihood position-estimation problem that arises in the processing of PMT signals to derive interaction locations in compact gamma cameras. We demonstrate that the algorithm can be parallelized in pipelines, and thereby efficiently implemented in specialized hardware, such as field-programmable gate arrays (FPGAs). A 2D implementation of the algorithm is achieved in Cell/BE processors, resulting in processing speeds above one million events per second, which is a 20× increase in speed over a conventional desktop machine. Graphics processing units (GPUs) are used for a 3D application of the algorithm, resulting in processing speeds of nearly 250,000 events per second which is a 250× increase in speed over a conventional desktop machine. These implementations indicate the viability of the algorithm for use in real-time imaging applications. PMID:20824155

Multi-dimensional computer simulation of MHD combustor hydrodynamics

NASA Astrophysics Data System (ADS)

Berry, G. F.; Chang, S. L.; Lottes, S. A.; Rimkus, W. A.

1991-04-01

Argonne National Laboratory is investigating the nonreacting jet gas mixing patterns in an MHD second stage combustor by using a 2-D multiphase hydrodynamics computer program and a 3-D single phase hydrodynamics computer program. The computer simulations are intended to enhance the understanding of flow and mixing patterns in the combustor, which in turn may lead to improvement of the downstream MHD channel performance. A 2-D steady state computer model, based on mass and momentum conservation laws for multiple gas species, is used to simulate the hydrodynamics of the combustor in which a jet of oxidizer is injected into an unconfined cross stream gas flow. A 3-D code is used to examine the effects of the side walls and the distributed jet flows on the non-reacting jet gas mixing patterns. The code solves the conservation equations of mass, momentum, and energy, and a transport equation of a turbulence parameter and allows permeable surfaces to be specified for any computational cell.

Three-dimensional ultrasound strain imaging of skeletal muscles

NASA Astrophysics Data System (ADS)

Gijsbertse, K.; Sprengers, A. M. J.; Nillesen, M. M.; Hansen, H. H. G.; Lopata, R. G. P.; Verdonschot, N.; de Korte, C. L.

2017-01-01

In this study, a multi-dimensional strain estimation method is presented to assess local relative deformation in three orthogonal directions in 3D space of skeletal muscles during voluntary contractions. A rigid translation and compressive deformation of a block phantom, that mimics muscle contraction, is used as experimental validation of the 3D technique and to compare its performance with respect to a 2D based technique. Axial, lateral and (in case of 3D) elevational displacements are estimated using a cross-correlation based displacement estimation algorithm. After transformation of the displacements to a Cartesian coordinate system, strain is derived using a least-squares strain estimator. The performance of both methods is compared by calculating the root-mean-squared error of the estimated displacements with the calculated theoretical displacements of the phantom experiments. We observe that the 3D technique delivers more accurate displacement estimations compared to the 2D technique, especially in the translation experiment where out-of-plane motion hampers the 2D technique. In vivo application of the 3D technique in the musculus vastus intermedius shows good resemblance between measured strain and the force pattern. Similarity of the strain curves of repetitive measurements indicates the reproducibility of voluntary contractions. These results indicate that 3D ultrasound is a valuable imaging tool to quantify complex tissue motion, especially when there is motion in three directions, which results in out-of-plane errors for 2D techniques.

Superfast algorithms of multidimensional discrete k-wave transforms and Volterra filtering based on superfast radon transform

NASA Astrophysics Data System (ADS)

Labunets, Valeri G.; Labunets-Rundblad, Ekaterina V.; Astola, Jaakko T.

2001-12-01

Fast algorithms for a wide class of non-separable n-dimensional (nD) discrete unitary K-transforms (DKT) are introduced. They need less 1D DKTs than in the case of the classical radix-2 FFT-type approach. The method utilizes a decomposition of the nD K-transform into the product of a new nD discrete Radon transform and of a set of parallel/independ 1D K-transforms. If the nD K-transform has a separable kernel (e.g., the case of the discrete Fourier transform) our approach leads to decrease of multiplicative complexity by the factor of n comparing to the classical row/column separable approach. It is well known that an n-th order Volterra filter of one dimensional signal can be evaluated by an appropriate nD linear convolution. This work describes new superfast algorithm for Volterra filtering. New approach is based on the superfast discrete Radon and Nussbaumer polynomial transforms.

Visible spectroscopy calibration transfer model in determining pH of Sala mangoes

NASA Astrophysics Data System (ADS)

Yahaya, O. K. M.; MatJafri, M. Z.; Aziz, A. A.; Omar, A. F.

2015-05-01

The purpose of this study is to compare the efficiency of calibration transfer procedures between three spectrometers involving two Ocean Optics Inc. spectrometers, namely, QE65000 and Jaz, and also, ASD FieldSpec 3 in measuring the pH of Sala mango by visible reflectance spectroscopy. This study evaluates the ability of these spectrometers in measuring the pH of Sala mango by applying similar calibration algorithms through direct calibration transfer. This visible reflectance spectroscopy technique defines a spectrometer as a master instrument and another spectrometer as a slave. The multiple linear regression (MLR) of calibration model generated using the QE65000 spectrometer is transferred to the Jaz spectrometer and vice versa for Set 1. The same technique is applied for Set 2 with QE65000 spectrometer is transferred to the FieldSpec3 spectrometer and vice versa. For Set 1, the result showed that the QE65000 spectrometer established a calibration model with higher accuracy than that of the Jaz spectrometer. In addition, the calibration model developed on Jaz spectrometer successfully predicted the pH of Sala mango, which was measured using QE65000 spectrometer, with a root means square error of prediction RMSEP = 0.092 pH and coefficients of determination R2 = 0.892. Moreover, the best prediction result is obtained for Set 2 when the calibration model developed on QE65000 spectrometer is successfully transferred to FieldSpec 3 with R2 = 0.839 and RMSEP = 0.16 pH.

T-28 data acquisition during COHMEX 1986

NASA Technical Reports Server (NTRS)

Musil, Dennis J.; Smith, Paul L.

1986-01-01

As part of the 1986 Cooperative Huntsville Meteorological Experiment (COHMEX) a cloud physics instrumented T-28 aircraft was used in conjunction with multiple ground based Doppler radars to characterize hydrometeors and updraft structure within developing summertime cumulus and cumulonimbus cloud systems near Huntsville, Alabama. Instrumentation aboard the aircraft included a Particle Measuring Systems (PMS) Forward Scattering Spectrometer Probe (FSSP), a PMS 2D Cloud Probe and a PMS 2D Precipitation Probe, as well as a hail spectrometer and a foil impactor. Hydrometeor spectra were obtained in the interior of mature thunderstorms over the size range from cloud droplets through hailstones. In addition, vertical wind speed, temperature, Johnson-Williams (JW) liquid water content and electric field measurements were made. Significant microphysical differences exist between these clouds and summertime cumulonimbus clouds which develop over the Central Plains. One notable difference in clouds displaying similar radar reflectivities is that COHMEX hydrometeors are typically smaller and more numerous than those observed in the Central Plains. The COHMEX cloud microphysical measurements represent ground truth values for the remote sensing instrumentation which was flown over the cloud tops at altitudes between 60,000 and 70,000 ft aboard NASA U-2 and ER-2 aircraft. They are also being used jointly with a numerical cloud model to assist in understanding the development of summertime subtropical clouds.

Advances in X-ray Mapping for Characterization of Microstructures: Silicon Drift Detectors, Microcalorimeters, X-ray Spectrum Imaging, and Data Mining

NASA Astrophysics Data System (ADS)

Newbury, D. E.

2006-05-01

X-ray mapping, performed with the electron probe microanalyzer (EPMA) or scanning electron microscope/energy dispersive x-ray spectrometer (SEM/EDS), is one of the most popular modes of studying chemically heterogeneous microstructures [1]. Despite the maturity of the technique, now in its 50th anniversary year [2], recent remarkable advances in instrumentation and software will provide microanalysts with an even more effective and efficient microstructural characterization tool: (1) Increased x-ray mapping speed: The silicon drift detector (SDD) [3] is a new form of the familiar silicon EDS that uses the same detection physics but with a radically different design that outperforms the classic Si-EDS in nearly every way [4]: (1) the SDD operates requires only Peltier cooling to -20 oC to - 50 oC; (2) for a given detector active area, the SDD has superior resolution; (3) the SDD achieves the same resolution but with a peaking time that is 5 to 8 times faster; and (4) maximum output count rate (OCR) ranges from about 14 kHz at optimum resolution (134 eV at MnKa for a 50 mm2 area) to 500 kHz (217 eV). This OCR performance enables rapid x-ray mapping collection in the x-ray spectrum image (XSI) mode, in which a complete EDS spectrum (2048 10eV-channels) is captured at each pixel (e.g., 10 ms dwell with 1.3 ms overhead per pixel, or 185 seconds for a 128x128 pixel map). XSI collection captures all possible spectral information within the limits imposed by the spectrometer and the primary beam dose. (2) EDS with WDS resolution: The microcalorimeter EDS measures the temperature rise when a single x-ray photon is absorbed in a metal target [5]. Demonstrated resolution is 4.5 eV at Mn Ka for a broad energy range (0.2 - 10 keV) spectrometer and 2 eV (AlKa) for a low photon energy range (0.2 - 2.0 keV) version. The low energy spectrometer is sensitive to peak shape and position changes associated with chemical bonding, opening the possibility of EDS chemical-state mapping. (3) Data mining: In the XSI mode, data is captured at the rate of 100 Mbytes per XSI database or more. Efficient software tools have been developed that enable the analyst to quickly recognize major and minor constituent features in this datacube, and even to detect rare unexpected features that occur at only one pixel in a large map [6]. Advanced image cube data reduction can be achieved with tools based on statistical methods, such as principal component analysis, that quickly establishes correlations between different elements, such as distinct phases [7]. 1. Goldstein, J., Newbury, D., Joy, D., Lyman, C., Echlin, P., Lifshin, E., Sawyer, L., and Michael, J., Scanning Electron Microscopy and X-ray Microanalysis, 3rd edition (Kluwer Academic Plenum Press, New York, 2003). 2. Cosslett, E. and P. Duncumb, Nature, 177 (1956) 1172. 3. Struder, L., Fiorini, C., Gatti, E., Hartmann, R., Holl, P., Krause, N., Lechner, P., Longoni, A., Lutz, G., Kemmer, J., Meidinger, N., Popp, M., Soltau, H., and van Zanthier, C., High resolution non dispersive x-ray spectroscopy with state of the art silicon detectors, Mikrochim. Acta, Suppl, 15 (1998) 11 4. Newbury, D. SCANNING, 27 (2005) 227. 5. Wollman, D., Irwin, K., Hilton, G., Dulcie, L., Newbury, D., and Martinis, J., J. Micros. 188 (1997) 196. 6. Newbury, D. and Bright, D., SCANNING, 27 (2005) 15. 7. Kotula, P. Keenan, M., and Michael J., Micros. Microanal. 9 (2003) 1

The Spectrometer

ERIC Educational Resources Information Center

Greenslade, Thomas B., Jr.

2012-01-01

In the fall of 1999 I was shown an Ocean Optics spectrometer-in-the-computer at St. Patricks College at Maynooth, Ireland, and thought that I had seen heaven. Of course, it could not resolve the sodium D-lines (I had done that many years before with a homemade wire diffraction grating), and I began to realize that inside was some familiar old…

Multidimensional Analysis of Direct-Drive Plastic-Shell Implosions on OMEGA

NASA Astrophysics Data System (ADS)

Radha, P. B.

2004-11-01

Direct-drive implosions of plastic shells with the OMEGA laser are used as energy-scaled warm surrogates for ignition cryogenic targets designed for use on the National Ignition Facility. Plastic targets involve varying shell thickness (15 to 33 μm), fill pressures (3 to 15 atm), and shell adiabats. The multidimensional hydrodynamics code DRACO is used to evaluate the effects of capsule-surface roughness and illumination nonuniformities on target performance. These simulations indicate that shell stability during the acceleration phase plays a critical role in determining fusion yields. For shells that are thick enough to survive the Rayleigh--Taylor growth, target yields are significantly reduced by growth of the long (ℓ < 10) and intermediate modes (20 < ℓ < 50) occurring from single-beam laser nonuniformities. The neutron production rate for these thick shells truncates relative to one-dimensional (1-D) predictions. The neutron-rate curves for the thinner shells, however, have significantly lower amplitudes and widths closer to 1-D results, indicating shell breakup during the acceleration phase. The simulation results are consistent with experimental observations. Previously, the stability of plastic-shell implosions had been correlated to a static ``mix-width'' at the boundary of the gas and plastic pusher estimated using a variety of experimental observables and an assumption of spherical symmetry. Results of these 2-D simulations provide a comprehensive understanding of warm-target implosion dynamics without assumptions of spherical symmetry and serve to answer the question of the hydrodynamic surrogacy between these plastic-shell implosions and the cryogenic ignition designs.

The measurement of radiation exposure of astronauts by radiochemical techniques

NASA Technical Reports Server (NTRS)

Brodzinski, R. L.

1972-01-01

The principal gamma-ray emitting radioisotopes, produced in the body of astronauts by cosmic-ray bombardment, which have half-lives long enough to be useful for radiation dose evaluation, are Be-7, Na-22, and Na-24. The sodium isotopes were measured in the preflight and postflight urine and feces, and those feces specimens collected during the manned Apollo missions, by analysis of the urine salts and the raw feces in large crystal multidimensional gamma-ray spectrometers. The Be-7 was chemically separated, and its concentration measured in an all NaI (TL), anticoincidence shielded, scintillation well crystal. The astronaut radiation dose in millirads, as determined for the Apollo 7, 8, 9, 10, 11, 12, and 13 missions, was 330, 160, smaller than 315, 870 plus or minus 550, 31, 110, and smaller than 250, respectively.

The application of simple mass spectrometers to planetary sub-surface sampling using penetrators

NASA Astrophysics Data System (ADS)

Sheridan, Simon; Morse, Andrew; Bardwell, Max; Barber, Simeon; Wright, Ian

2010-05-01

Ptolemy is an ion trap based gas-chromatograph isotope ratio mass spectrometer which is on-board the Rosetta Lander [Wright et al., 2006; Todd et al., 2007]. The instrument uses the principles of MODULUS (Methods of Determining and Understanding Light Elements From Unequivocal Stable Isotope Compositions [Pillinger and Wright, 1993], to enable results obtained in space to be interpreted directly in the context of terrestrial analyses of meteorites and returned samples. MODULUS typically involves use of a complex sample processing system to purify and separate individual species from a complex starting sample, allowing analysis by a relatively simple, low resolution, but stable and precise mass spectrometer instrumentation. A number of exciting future mission opportunities are arising where it is unlikely that it will be feasible to incorporate the full MODULUS-style sample processing system. Of particular interest are missions that offer the opportunity to gain access to surface and sub-surface material through the deployment of mass spectrometers from either high-speed penetrator platforms [Smith et al., 2009] or from sub-surface penetrating mole devices deployed by soft landers [Richter et al., 2003]. We will present work aimed at overcoming the resolution restrictions of ion trap mass spectrometers. It is anticipated that this will enable MODULUS style science return from relatively simple instrumentation which is compatible with the future miniaturised sampling platforms currently under consideration for Mars, asteroids, comets and planetary moons. References: Wright I. P., Barber S. J., Morgan G. H., Morse A. D., Sheridan S., Andrews D. J., Maynard J., Yau D., Evans S. T., Leese M. R., Zarnecki J. C., Kent B. J., Waltham N. R., Whalley M. S., Heys S., Drummond D. L., Edeson R. L., Sawyer E. C., Turner R. F., and Pillinger C. T. (2006). Ptolemy - an instrument to measure stable isotopic ratios of key volatiles on a cometary nucleus. Space Science Reviews, 128 (1-4), 363-387. Todd, J.F.J., Barber, S.J., Wright, I.P., Morgan, G.H., Morse, A.D., Sheridan, S., Leese, M.R., Maynard, J., Evans, S.T., Pillinger, C.T. et al. (2007). Ion trap mass spectrometry on a comet nucleus: the Ptolemy instrument and the Rosetta space mission. J. Mass Spectrom. 42,1-10. Pillinger C. T., and Wright I. P. (1993). MODULUS - Methods Of Determining and Understanding Light elements from Unequivocal Stable isotope composition. A type 2 proposal submitted to the RoLand Cometary Lander of the ESA International Rosetta Mission for the provision of Ptolemy - an evolved gas analyser. Richter L., Coste P., Grzesik A., Magnani P., Nadalini R., Neuhaus D., Re E., Romstedt J., Sims M. and Sohl F. (2005). Instrumented Moles for Planetary Subsurface Regolith Studies. Geophysical Research Abstracts, Vol. 7, 08659 A. Smith A.,. Crawford I. A., Gowen R. A., Ball A. J., Barber S. J., Church P., Coates A. J., Gao Y., Griffiths A. D., Hagermann A.,•Joy K. H., Phipps A., Pike W. T., Scott R., Sheridan S., Sweeting M., Talboys D.,•Tong V.,•Wells N.,• Biele J., Chela-Flores J.,•Dabrowski B., Flannagan J., Grande M., Grygorczuk J., Kargl G.,. Khavroshkin O. B.,•Klingelhoefer G., Knapmeyer M.,• Marczewski W., McKenna-Lawlor S.,•Richter L., Rothery D. A., Seweryn K., Ulamec S., Wawrzaszek R., Wieczorek M., Wright I. P. and Sims M. (2009). LunarEX - a proposal to cosmic vision. Exp Astron 23:711-740: DOI 10.1007/s10686-008-9109-6

Multidimensional Luminescence Measurements

DTIC Science & Technology

1985-04-30

Alfano , A.J.; Fong, E.K.; Lytle, F.E., Rev. S-.. Instrum. 1983, 54, 967-972. 7. HieftJe, G.M., Clin. Chem. 1983, 29, 1659-1664. 8. Berndt, K.; Durr...Miller, J.N., Trends Anal. Chem. 1981, 1, 31-34. ൗ. Warner, I.M.; Callis, J.B.; Christian , G.D.; Davidson, E.R., Anal. I TChem. 1977, 49, 564-573. 16...M.; Christian , G.D., Anal. Lett. 1975, 8, 665-681. 24. Johnson, D.W.; Gladden, J.A.; Callis, J.B.; Christian , G.D., Rev. Sci. Instrum. 1979, 50, 118

Pseudo-equilibrium geometry of HNO determined by an E-Band CP-FTmmW spectrometer

DOE PAGES

Zaleski, Daniel P.; Prozument, Kirill

2017-05-16

An E-Band (60–90 GHz) chirped-pulse Fourier transform millimeter-wave spectrometer has been constructed for eventual kinetics and dynamics studies. The performance of the spectrometer is demonstrated with the molecule nitroxyl (HNO). Using the new spectrometer and by passing isotopically labelled methyl nitrite (CH 3ONO) through a pyrolysis nozzle, the spectra of minor isotopologues of HNO have been obtained. The observations on the isotopologues identified here, H 15NO, HN 18O, and D 15NO, have been combined with the earlier isotopic observations, HNO and DNO, to create a global r m (1) HNO geometry that approximates an equilibrium structure. Furthermore, the results aremore » compared to high-level ab initio calculations.« less

Pseudo-equilibrium geometry of HNO determined by an E-Band CP-FTmmW spectrometer

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zaleski, Daniel P.; Prozument, Kirill

An E-Band (60–90 GHz) chirped-pulse Fourier transform millimeter-wave spectrometer has been constructed for eventual kinetics and dynamics studies. The performance of the spectrometer is demonstrated with the molecule nitroxyl (HNO). Using the new spectrometer and by passing isotopically labelled methyl nitrite (CH 3ONO) through a pyrolysis nozzle, the spectra of minor isotopologues of HNO have been obtained. The observations on the isotopologues identified here, H 15NO, HN 18O, and D 15NO, have been combined with the earlier isotopic observations, HNO and DNO, to create a global r m (1) HNO geometry that approximates an equilibrium structure. Furthermore, the results aremore » compared to high-level ab initio calculations.« less

Snapshot hyperspectral fovea vision system (HyperVideo)

NASA Astrophysics Data System (ADS)

Kriesel, Jason; Scriven, Gordon; Gat, Nahum; Nagaraj, Sheela; Willson, Paul; Swaminathan, V.

2012-06-01

The development and demonstration of a new snapshot hyperspectral sensor is described. The system is a significant extension of the four dimensional imaging spectrometer (4DIS) concept, which resolves all four dimensions of hyperspectral imaging data (2D spatial, spectral, and temporal) in real-time. The new sensor, dubbed "4×4DIS" uses a single fiber optic reformatter that feeds into four separate, miniature visible to near-infrared (VNIR) imaging spectrometers, providing significantly better spatial resolution than previous systems. Full data cubes are captured in each frame period without scanning, i.e., "HyperVideo". The current system operates up to 30 Hz (i.e., 30 cubes/s), has 300 spectral bands from 400 to 1100 nm (~2.4 nm resolution), and a spatial resolution of 44×40 pixels. An additional 1.4 Megapixel video camera provides scene context and effectively sharpens the spatial resolution of the hyperspectral data. Essentially, the 4×4DIS provides a 2D spatially resolved grid of 44×40 = 1760 separate spectral measurements every 33 ms, which is overlaid on the detailed spatial information provided by the context camera. The system can use a wide range of off-the-shelf lenses and can either be operated so that the fields of view match, or in a "spectral fovea" mode, in which the 4×4DIS system uses narrow field of view optics, and is cued by a wider field of view context camera. Unlike other hyperspectral snapshot schemes, which require intensive computations to deconvolve the data (e.g., Computed Tomographic Imaging Spectrometer), the 4×4DIS requires only a linear remapping, enabling real-time display and analysis. The system concept has a range of applications including biomedical imaging, missile defense, infrared counter measure (IRCM) threat characterization, and ground based remote sensing.

Scientific Visualization of Radio Astronomy Data using Gesture Interaction

NASA Astrophysics Data System (ADS)

Mulumba, P.; Gain, J.; Marais, P.; Woudt, P.

2015-09-01

MeerKAT in South Africa (Meer = More Karoo Array Telescope) will require software to help visualize, interpret and interact with multidimensional data. While visualization of multi-dimensional data is a well explored topic, little work has been published on the design of intuitive interfaces to such systems. More specifically, the use of non-traditional interfaces (such as motion tracking and multi-touch) has not been widely investigated within the context of visualizing astronomy data. We hypothesize that a natural user interface would allow for easier data exploration which would in turn lead to certain kinds of visualizations (volumetric, multidimensional). To this end, we have developed a multi-platform scientific visualization system for FITS spectral data cubes using VTK (Visualization Toolkit) and a natural user interface to explore the interaction between a gesture input device and multidimensional data space. Our system supports visual transformations (translation, rotation and scaling) as well as sub-volume extraction and arbitrary slicing of 3D volumetric data. These tasks were implemented across three prototypes aimed at exploring different interaction strategies: standard (mouse/keyboard) interaction, volumetric gesture tracking (Leap Motion controller) and multi-touch interaction (multi-touch monitor). A Heuristic Evaluation revealed that the volumetric gesture tracking prototype shows great promise for interfacing with the depth component (z-axis) of 3D volumetric space across multiple transformations. However, this is limited by users needing to remember the required gestures. In comparison, the touch-based gesture navigation is typically more familiar to users as these gestures were engineered from standard multi-touch actions. Future work will address a complete usability test to evaluate and compare the different interaction modalities against the different visualization tasks.

Decomposed multidimensional control grid interpolation for common consumer electronic image processing applications

NASA Astrophysics Data System (ADS)

Zwart, Christine M.; Venkatesan, Ragav; Frakes, David H.

2012-10-01

Interpolation is an essential and broadly employed function of signal processing. Accordingly, considerable development has focused on advancing interpolation algorithms toward optimal accuracy. Such development has motivated a clear shift in the state-of-the art from classical interpolation to more intelligent and resourceful approaches, registration-based interpolation for example. As a natural result, many of the most accurate current algorithms are highly complex, specific, and computationally demanding. However, the diverse hardware destinations for interpolation algorithms present unique constraints that often preclude use of the most accurate available options. For example, while computationally demanding interpolators may be suitable for highly equipped image processing platforms (e.g., computer workstations and clusters), only more efficient interpolators may be practical for less well equipped platforms (e.g., smartphones and tablet computers). The latter examples of consumer electronics present a design tradeoff in this regard: high accuracy interpolation benefits the consumer experience but computing capabilities are limited. It follows that interpolators with favorable combinations of accuracy and efficiency are of great practical value to the consumer electronics industry. We address multidimensional interpolation-based image processing problems that are common to consumer electronic devices through a decomposition approach. The multidimensional problems are first broken down into multiple, independent, one-dimensional (1-D) interpolation steps that are then executed with a newly modified registration-based one-dimensional control grid interpolator. The proposed approach, decomposed multidimensional control grid interpolation (DMCGI), combines the accuracy of registration-based interpolation with the simplicity, flexibility, and computational efficiency of a 1-D interpolation framework. Results demonstrate that DMCGI provides improved interpolation accuracy (and other benefits) in image resizing, color sample demosaicing, and video deinterlacing applications, at a computational cost that is manageable or reduced in comparison to popular alternatives.

A Systematic Study of Explosions in Core Collapse Supernovae

NASA Technical Reports Server (NTRS)

Swesty, F. Douglas; Mihalas, Dimitri; Norman, Michael

1997-01-01

This report covers the research conducted from September 1996 to August 1997 (eighteen months into the three year grant). We have obtained a number of significant findings based on the on the work that we have conducted under this grant during the past year. As we stated in our original proposal the work has focused on multi-dimensional models of the convective epoch in core collapse supernovae. During the past year we have developed a large number of models of the convective epoch in 2-D under two levels of neutrino transport approximation and we are currently working on 3-D models. In the following pages will endeavor to give brief descriptions of our results.

Multiphysics Simulations of Hot-Spot Initiation in Shocked Insensitive High-Explosive

NASA Astrophysics Data System (ADS)

Najjar, Fady; Howard, W. M.; Fried, L. E.

2010-11-01

Solid plastic-bonded high-explosive materials consist of crystals with micron-sized pores embedded. Under mechanical or thermal insults, these voids increase the ease of shock initiation by generating high-temperature regions during their collapse that might lead to ignition. Understanding the mechanisms of hot-spot initiation has significant research interest due to safety, reliability and development of new insensitive munitions. Multi-dimensional high-resolution meso-scale simulations are performed using the multiphysics software, ALE3D, to understand the hot-spot initiation. The Cheetah code is coupled to ALE3D, creating multi-dimensional sparse tables for the HE properties. The reaction rates were obtained from MD Quantum computations. Our current predictions showcase several interesting features regarding hot spot dynamics including the formation of a "secondary" jet. We will discuss the results obtained with hydro-thermo-chemical processes leading to ignition growth for various pore sizes and different shock pressures.

Infrared and Microwave Spectra of Ne-WATER Complex

NASA Astrophysics Data System (ADS)

Liu, Xunchen; Thomas, Javix; Xu, Yunjie; Hou, Dan; Li, Hui

2016-06-01

The binary complex of rare gas atom and water is an ideal model to study the anisotropic potential energy surface of van der Waals interaction and the large amplitude motion. Although Xe-H_2O, Kr-H_2O, Ar-H_2O, Ar-D_2O and even Ne-D_2O complexes were studied by microwave or high resolution infrared spectroscopy, the lighter Ne-H_2O complex has remained unidentified. In this talk, we will present the theoretical and experimental investigation of the Ne-H_2O complex. A four-dimension PES for H_2O-Ne which only depended on the intramolecular (Q2) normal-mode coordinate of H2O monomer was calculated in this work to determine the rovibrational energy levels and mid-infrared transitions. Aided with the calculated transitions, we were able to assigned the high resolution mid-infrared spectra of both 20Ne-H_2O and 22Ne-H_2O complexes that are generated with a pulsed supersonic molecular beam in a multipass direct absorption spectrometer equiped with an external cavity quantum cascade laser at 6 μm. Several bands of both para and ortho Ne-H2O were assigned and fitted using the Hamiltonian with strong Coriolis and angular-radical coupling terms. The predicted groud state energy levels are then confirmed by the J=1-0 and J=2-1 transitions measurement using a cavity based Fourier transform microwave spectrometer.

Imaging spectroscopy in soil-water based site suitability assessment for artificial regeneration to Scots pine

NASA Astrophysics Data System (ADS)

Middleton, Maarit; Närhi, Paavo; Sutinen, Raimo

In a humid northern boreal climate, the success rate of artificial regeneration to Scots pine ( Pinus sylvestris L.) can be improved by including a soil water content (SWC) based assessment of site suitability in the reforestation planning process. This paper introduces an application of airborne visible-near-infrared imaging spectroscopic data to identify suitable subregions of forest compartments for the low SWC-tolerant Scots pine. The spatial patterns of understorey plant species communities, recorded by the AISA (Airborne Imaging Spectrometer for Applications) sensor, were demonstrated to be dependant on the underlying SWC. According to the nonmetric multidimensional scaling and correlation results twelve understorey species were found to be most abundant on sites with high soil SWCs. The abundance of bare soil, rocks and abundance of more than ten species indicated low soil SWCs. The spatial patterns of understorey are attributed to time-stability of the underlying SWC patterns. A supervised artificial neural network (radial basis functional link network, probabilistic neural network) approach was taken to classify AISA imaging spectrometer data with dielectric (as a measure volumetric SWC) ground referencing into regimes suitable and unsuitable for Scots pine. The accuracy assessment with receiver operating characteristics curves demonstrated a maximum of 74.1% area under the curve values which indicated moderate success of the NN modelling. The results signified the importance of the training set's quality, adequate quantity (>2.43 points/ha) and NN algorithm selection over the NN algorithm training parameter optimization to perfection. This methodology for the analysis of site suitability of Scots pine can be recommended, especially when artificial regeneration of former mixed wood Norway spruce ( Picea abies L. Karst) - downy birch ( Betula pubenscens Ehrh.) stands is being considered, so that artificially regenerated areas to Scots pine can be optimized for forestry purposes.

Implications for Extraterrestrial Hydrocarbon Chemistry: Analysis of Ethylene (C{sub 2}H{sub 4}) and D4-Ethylene (C{sub 2}D{sub 4}) Ices Exposed to Ionizing Radiation via Combined Infrared Spectroscopy and Reflectron Time-of-flight Mass Spectrometry

DOE Office of Scientific and Technical Information (OSTI.GOV)

Abplanalp, Matthew J.; Kaiser, Ralf I., E-mail: ra

The processing of the hydrocarbon ice, ethylene (C{sub 2}H{sub 4}/C{sub 2}D{sub 4}), via energetic electrons, thus simulating the processes in the track of galactic cosmic-ray particles, was carried out in an ultrahigh vacuum apparatus. The chemical evolution of the ices was monitored online and in situ utilizing Fourier transform infrared spectroscopy (FTIR) and during temperature programmed desorption, via a quadrupole mass spectrometer utilizing electron impact ionization (EI-QMS) and a reflectron time-of-flight mass spectrometer utilizing a photoionization source (PI-ReTOF-MS). Several previous in situ studies of ethylene ice irradiation using FTIR were substantiated with the detection of six products: [CH{sub 4} (CD{submore » 4})], acetylene [C{sub 2}H{sub 2} (C{sub 2}D{sub 2})], the ethyl radical [C{sub 2}H{sub 5} (C{sub 2}D{sub 5})], ethane [C{sub 2}H{sub 6} (C{sub 2}D{sub 6})], 1-butene [C{sub 4}H{sub 8} (C{sub 4}D{sub 8})], and n -butane [C{sub 4}H{sub 10} (C{sub 4}D{sub 10})]. Contrary to previous gas phase studies, the PI-ReTOF-MS detected several groups of hydrocarbon with varying degrees of saturation: C{sub n}H{sub 2n+2} (n = 4–10), C{sub n}H{sub 2n} ( n = 2–12, 14, 16), C{sub n}H{sub 2n−2} ( n = 3–12, 14, 16), C{sub n}H{sub 2n−4} (n = 4–12, 14, 16), C{sub n}H{sub 2n−6} (n = 4–10, 12), C{sub n}H{sub 2n−8} ( n = 6–10), and C{sub n}H{sub 2n−10} ( n = 6–10). Multiple laboratory studies have shown the facile production of ethylene from methane, which is a known ice constituent in the interstellar medium. Various astrophysically interesting molecules can be associated with the groups detected here, such as allene/methylacetylene (C{sub 3}H{sub 4}) or 1, 3-butadiene (C{sub 4}H{sub 6}) and its isomers, which have been shown to lead to polycyclic aromatic hydrocarbons. Finally, several hydrocarbon groups detected here are unique to ethylene ice versus ethane ice and may provide understanding of how complex hydrocarbons form in astrophysical environments.« less

Ultrafast-based projection-reconstruction three-dimensional nuclear magnetic resonance spectroscopy.

PubMed

Mishkovsky, Mor; Kupce, Eriks; Frydman, Lucio

2007-07-21

Recent years have witnessed increased efforts toward the accelerated acquisition of multidimensional nuclear magnetic resonance (nD NMR) spectra. Among the methods proposed to speed up these NMR experiments is "projection reconstruction," a scheme based on the acquisition of a reduced number of two-dimensional (2D) NMR data sets constituting cross sections of the nD time domain being sought. Another proposition involves "ultrafast" spectroscopy, capable of completing nD NMR acquisitions within a single scan. Potential limitations of these approaches include the need for a relatively slow 2D-type serial data collection procedure in the former case, and a need for at least n high-performance, linearly independent gradients and a sufficiently high sensitivity in the latter. The present study introduces a new scheme that comes to address these limitations, by combining the basic features of the projection reconstruction and the ultrafast approaches into a single, unified nD NMR experiment. In the resulting method each member within the series of 2D cross sections required by projection reconstruction to deliver the nD NMR spectrum being sought, is acquired within a single scan with the aid of the 2D ultrafast protocol. Full nD NMR spectra can thus become available by backprojecting a small number of 2D sets, collected using a minimum number of scans. Principles, opportunities, and limitations of the resulting approach, together with demonstrations of its practical advantages, are here discussed and illustrated with a series of three-dimensional homo- and heteronuclear NMR correlation experiments.

Development of a Computerized Adaptive Testing for Diagnosing the Cognitive Process of Grade 7 Students in Learning Algebra, Using Multidimensional Item Response Theory

ERIC Educational Resources Information Center

Senarat, Somprasong; Tayraukham, Sombat; Piyapimonsit, Chatsiri; Tongkhambanjong, Sakesan

2013-01-01

The purpose of this research is to develop a multidimensional computerized adaptive test for diagnosing the cognitive process of grade 7 students in learning algebra by applying multidimensional item response theory. The research is divided into 4 steps: 1) the development of item bank of algebra, 2) the development of the multidimensional…

Proposal for a prototype of portable μXRF spectrometer

NASA Astrophysics Data System (ADS)

Polese, C.; Dabagov, S. B.; Esposito, A.; Liedl, A.; Hampai, D.; Bartùli, C.; Ferretti, M.

2015-07-01

μXRF is a powerful instrument for non-destructive characterization of materials of cultural interest. At the XLab Frascati Laboratory this technique is already well performed thanks to the polyCO set equipment allowing simultaneous μXRF 2D mapping. However, due to the strict demand for in situ analysis in this particular field, a new portable μXRF spectrometer equipped with a full polycapillary lens conjugated with a transmission anode X-ray tube is proposed. Many cultural objects are characterized by elements (Ag, Sn, etc.) with high energy fluorescence K-lines. Thus, the capability of a full lens to deliver a high energy fraction of X-ray spectrum, in order to excite the fluorescence K-lines of such elements, is tested.

Real-time analysis of δ13C- and δD-CH4 in ambient air with laser spectroscopy: Method development and intercomparison

NASA Astrophysics Data System (ADS)

Harris, E. J.; Eyer, S.; Mohn, J.; Röckmann, T.; Popa, E.; Lowry, D.; Nisbet, E. G.; Fisher, R. E.; Brennwald, M. S.; Fischer, H.; Emmenegger, L.; Tuzson, B.; Zellweger, C.

2015-12-01

Methane (CH4) is the second most important anthropogenically emitted greenhouse gas after carbon dioxide (CO2). Its mole fraction has increased from around 722 ppb in pre-industrial times to 1824 ppb in 2013 and the anthropogenic fraction is estimated to be 60 % of the total emissions. A promising approach to improve the understanding of the CH4 budget is the use of isotopologues to distinguish between various CH4 source processes. In the presented study in situ and simultaneous measurement of the three most abundant isotopologues of methane using mid-infrared laser absorption spectroscopy is demonstrated. A field-deployable, autonomous platform is realized by coupling a compact quantum cascade laser absorption spectrometer (QCLAS) to a preconcentration unit, called TRace gas EXtractor (TREX). This unit enhances CH4 mole fractions by a factor of up to 500 above ambient levels and quantitatively separates interfering trace gases such as N2O and CO2. The analytical precision of the QCLAS isotope measurement on the preconcentrated (750 ppm, parts-per-million, mmole/mole) methane is 0.1‰ and 0.5 ‰ for δ13C- and δD-CH4 at 10 min averaging time. [1] Based on replicate measurements of compressed air during a two-week intercomparison campaign, the repeatability of the TREX-QCLAS was determined to be 0.19 ‰ and 1.9 ‰ for δ13C and δD-CH4, respectively. In this intercomparison campaign the new in situ technique is compared to IRMS based on glass flask and bag sampling and real time CH4 isotope analysis by two commercially available laser spectrometers (Figure). Both laser-based analyzers were limited to methane mole fraction and δ13C-CH4 analysis, and only one of them, a cavity ring down spectrometer, was capable to deliver meaningful data for the isotopic composition. After correcting for scale offsets, the average difference between TREX-QCLAS data and bag/flask sampling-IRMS values are within the extended WMO compatibility goals of 0.2 and 5 ‰ for δ13C- and δD-CH4, respectively. Thus, the intercomparison also reveals the need for reference air samples with accurately determined isotopic composition of CH4 to further improve the interlaboratory compatibility. [1] References: [1] S. Eyer et al. (2015) submitted to AMTD

Simulating imaging spectrometer data of a mixed old-growth forest: A parameterization of a 3D radiative transfer model based on airborne and terrestrial laser scanning

NASA Astrophysics Data System (ADS)

Schneider, F. D.; Leiterer, R.; Morsdorf, F.; Gastellu-Etchegorry, J.; Lauret, N.; Pfeifer, N.; Schaepman, M. E.

2013-12-01

Remote sensing offers unique potential to study forest ecosystems by providing spatially and temporally distributed information that can be linked with key biophysical and biochemical variables. The estimation of biochemical constituents of leaves from remotely sensed data is of high interest revealing insight on photosynthetic processes, plant health, plant functional types, and speciation. However, the scaling of observations at the canopy level to the leaf level or vice versa is not trivial due to the structural complexity of forests. Thus, a common solution for scaling spectral information is the use of physically-based radiative transfer models. The discrete anisotropic radiative transfer model (DART), being one of the most complete coupled canopy-atmosphere 3D radiative transfer models, was parameterized based on airborne and in-situ measurements. At-sensor radiances were simulated and compared with measurements from an airborne imaging spectrometer. The study was performed on the Laegern site, a temperate mixed forest characterized by steep slopes, a heterogeneous spectral background, and deciduous and coniferous trees at different development stages (dominated by beech trees; 47°28'42.0' N, 8°21'51.8' E, 682 m asl, Switzerland). It is one of the few studies conducted on an old-growth forest. Particularly the 3D modeling of the complex canopy architecture is crucial to model the interaction of photons with the vegetation canopy and its background. Thus, we developed two forest reconstruction approaches: 1) based on a voxel grid, and 2) based on individual tree detection. Both methods are transferable to various forest ecosystems and applicable at scales between plot and landscape. Our results show that the newly developed voxel grid approach is favorable over a parameterization based on individual trees. In comparison to the actual imaging spectrometer data, the simulated images exhibit very similar spatial patterns, whereas absolute radiance values are partially differing depending on the respective wavelength. We conclude that our proposed method provides a representation of the 3D radiative regime within old-growth forests that is suitable for simulating most spectral and spatial features of imaging spectrometer data. It indicates the potential of simulating future Earth observation missions, such as ESA's Sentinel-2. However, the high spectral variability of leaf optical properties among species has to be addressed in future radiative transfer modeling. The results further reveal that research emphasis has to be put on the accurate parameterization of small-scale structures, such as the clumping of needles into shoots or the distribution of leaf angles.

Wet Chemistry Synthesis of Multidimensional Nanocarbon-Sulfur Hybrid Materials with Ultrahigh Sulfur Loading for Lithium-Sulfur Batteries.

PubMed

Du, Wen-Cheng; Yin, Ya-Xia; Zeng, Xian-Xiang; Shi, Ji-Lei; Zhang, Shuai-Feng; Wan, Li-Jun; Guo, Yu-Guo

2016-02-17

An optimized nanocarbon-sulfur cathode material with ultrahigh sulfur loading of up to 90 wt % is realized in the form of sulfur nanolayer-coated three-dimensional (3D) conducting network. This 3D nanocarbon-sulfur network combines three different nanocarbons, as follows: zero-dimensional carbon nanoparticle, one-dimensional carbon nanotube, and two-dimensional graphene. This 3D nanocarbon-sulfur network is synthesized by using a method based on soluble chemistry of elemental sulfur and three types of nanocarbons in well-chosen solvents. The resultant sulfur-carbon material shows a high specific capacity of 1115 mA h g(-1) at 0.02C and good rate performance of 551 mA h g(-1) at 1C based on the mass of sulfur-carbon composite. Good battery performance can be attributed to the homogeneous compositing of sulfur with the 3D hierarchical hybrid nanocarbon networks at nanometer scale, which provides efficient multidimensional transport pathways for electrons and ions. Wet chemical method developed here provides an easy and cost-effective way to prepare sulfur-carbon cathode materials with high sulfur loading for application in high-energy Li-S batteries.

KENNEDY SPACE CENTER, FLA. - The Mars Exploration Rover 2 (MER-2) undergoes a weight and center of gravity determination in the Payload Hazardous Servicing Facility. NASA's twin Mars Exploration Rovers are designed to study the history of water on Mars. These robotic geologists are equipped with a robotic arm, a drilling tool, three spectrometers, and four pairs of cameras that allow them to have a human-like, 3D view of the terrain. Each rover could travel as far as 100 meters in one day to act as Mars scientists' eyes and hands, exploring an environment where humans can't yet go. Launch of MER-2 is scheduled for June 5 from Cape Canaveral Air Force Station.

NASA Image and Video Library

2003-05-09

KENNEDY SPACE CENTER, FLA. - The Mars Exploration Rover 2 (MER-2) undergoes a weight and center of gravity determination in the Payload Hazardous Servicing Facility. NASA's twin Mars Exploration Rovers are designed to study the history of water on Mars. These robotic geologists are equipped with a robotic arm, a drilling tool, three spectrometers, and four pairs of cameras that allow them to have a human-like, 3D view of the terrain. Each rover could travel as far as 100 meters in one day to act as Mars scientists' eyes and hands, exploring an environment where humans can't yet go. Launch of MER-2 is scheduled for June 5 from Cape Canaveral Air Force Station.

KENNEDY SPACE CENTER, FLA. - Workers in the Payload Hazardous Servicing Facility prepare the Mars Exploration Rover 2 (MER-2) for a weight and center of gravity determination. NASA's twin Mars Exploration Rovers are designed to study the history of water on Mars. These robotic geologists are equipped with a robotic arm, a drilling tool, three spectrometers, and four pairs of cameras that allow them to have a human-like, 3D view of the terrain. Each rover could travel as far as 100 meters in one day to act as Mars scientists' eyes and hands, exploring an environment where humans can't yet go. Launch of MER-2 is scheduled for June 5 from Cape Canaveral Air Force Station.

NASA Image and Video Library

2003-05-09

KENNEDY SPACE CENTER, FLA. - Workers in the Payload Hazardous Servicing Facility prepare the Mars Exploration Rover 2 (MER-2) for a weight and center of gravity determination. NASA's twin Mars Exploration Rovers are designed to study the history of water on Mars. These robotic geologists are equipped with a robotic arm, a drilling tool, three spectrometers, and four pairs of cameras that allow them to have a human-like, 3D view of the terrain. Each rover could travel as far as 100 meters in one day to act as Mars scientists' eyes and hands, exploring an environment where humans can't yet go. Launch of MER-2 is scheduled for June 5 from Cape Canaveral Air Force Station.

KENNEDY SPACE CENTER, FLA. - Workers in the Payload Hazardous Servicing Facility are preparing to determine weight and center of gravity for the Mars Exploration Rover 2 (MER-2). NASA's twin Mars Exploration Rovers are designed to study the history of water on Mars. These robotic geologists are equipped with a robotic arm, a drilling tool, three spectrometers, and four pairs of cameras that allow them to have a human-like, 3D view of the terrain. Each rover could travel as far as 100 meters in one day to act as Mars scientists' eyes and hands, exploring an environment where humans can't yet go. Launch of MER-2 is scheduled for June 5 from Cape Canaveral Air Force Station.

NASA Image and Video Library

2003-05-09

KENNEDY SPACE CENTER, FLA. - Workers in the Payload Hazardous Servicing Facility are preparing to determine weight and center of gravity for the Mars Exploration Rover 2 (MER-2). NASA's twin Mars Exploration Rovers are designed to study the history of water on Mars. These robotic geologists are equipped with a robotic arm, a drilling tool, three spectrometers, and four pairs of cameras that allow them to have a human-like, 3D view of the terrain. Each rover could travel as far as 100 meters in one day to act as Mars scientists' eyes and hands, exploring an environment where humans can't yet go. Launch of MER-2 is scheduled for June 5 from Cape Canaveral Air Force Station.

KENNEDY SPACE CENTER, FLA. - In the Payload Hazardous Servicing Facility, the Mars Exploration Rover 2 (MER-2) is moved to a spin table. NASA’s twin Mars Exploration Rovers are designed to study the history of water on Mars. These robotic geologists are equipped with a robotic arm, a drilling tool, three spectrometers, and four pairs of cameras that allow them to have a human-like, 3D view of the terrain. Each rover could travel as far as 100 meters in one day to act as Mars scientists' eyes and hands, exploring an environment where humans can’t yet go. The MER-2 is scheduled to launch June 5 from Launch Pad 17-A, Cape Canaveral Air Force Station.

NASA Image and Video Library

2003-05-19

KENNEDY SPACE CENTER, FLA. - In the Payload Hazardous Servicing Facility, the Mars Exploration Rover 2 (MER-2) is moved to a spin table. NASA’s twin Mars Exploration Rovers are designed to study the history of water on Mars. These robotic geologists are equipped with a robotic arm, a drilling tool, three spectrometers, and four pairs of cameras that allow them to have a human-like, 3D view of the terrain. Each rover could travel as far as 100 meters in one day to act as Mars scientists' eyes and hands, exploring an environment where humans can’t yet go. The MER-2 is scheduled to launch June 5 from Launch Pad 17-A, Cape Canaveral Air Force Station.

Development of a flat-field spectrometer with a wideband Ni/C multilayer grating in the 1–3.5 keV range

DOE Office of Scientific and Technical Information (OSTI.GOV)

Imazono, Takashi

2016-07-27

To develop a flat-field spectrometer with coverage of the 1–3.5 keV range, a wideband Ni/C multilayer grating was invented. The multilayer consists of two kinds of layer structures. One is a conventional periodic multilayer of thickness D{sub 1} = 5.6 nm, Ni thickness ratio to the multilayer period γ{sub 1} = 0.5 and the number of layers N{sub 1} = 79. Both the first and last layers are Ni. The other is a C/Ni bilayer of D{sub 2} = 8.4 nm, γ{sub 2} = 0.53 and N{sub 2} = 2. The first layer is C and then Ni. The aperiodicmore » multilayer from the topmost C/Ni bilayer was coated on a laminar-type grating having an effective grating constant of 1/2400 mm, groove depth of 2.8 nm, and duty ratio (land width/groove period) of 0.5. In a preliminary experiment, the diffraction efficiency was in excess of 0.8% in the energy range of 2.1-3.3 keV and the maximum of 5.4% at 3.1 keV at a constant angle of incidence of 88.54°, which is considerably higher than that of an Au-coated grating before deposition of the multilayer.« less

Preliminary Development of a Multidimensional Semantic Patient Experience Measurement Questionnaire.

PubMed

Kleiss, James A

2016-10-01

The purpose of this research was to assess the utility and reliability of a multidimensional patient experience measurement questionnaire in a clinical setting. Patient experience has emerged as an important metric for quality of healthcare. A number of separate concepts have been used to measure patient experience, but psychological research suggests that subjective experience is actually a composite of several independent concepts including: (a) evaluation/valence, (b) potency/control, (c) activity/arousal, and (d) novelty. The present research evaluates the reliability of a multidimensional patient experience measurement questionnaire in a clinical setting. A multidimensional semantic differential questionnaire was developed to measure the four underlying semantic dimensions of patient experience mentioned above. A group of 60 patients used the questionnaire to assess prescan expectations and postscan experience of a magnetic resonance scan. Data for one patient were deleted because their scan was interrupted. Results revealed more positive evaluation/valence, higher potency/control, and lower activity/arousal for postscan ratings compared to prescan expectations. Ratings of novelty were neutral in both the prescan and the postscan conditions. Subsequent analysis suggested that internal consistency for some concepts could be improved by replacing several specific rating scales. Present results provide evidence of the utility and reliability of a multidimensional semantic questionnaire for measuring patient experience in an actual clinical setting. Recommendations to improve internal consistency for the concepts potency/control, activity/arousal, and novelty were also provided. © The Author(s) 2016.

On simplified application of multidimensional Savitzky-Golay filters and differentiators

NASA Astrophysics Data System (ADS)

Shekhar, Chandra

2016-02-01

I propose a simplified approach for multidimensional Savitzky-Golay filtering, to enable its fast and easy implementation in scientific and engineering applications. The proposed method, which is derived from a generalized framework laid out by Thornley (D. J. Thornley, "Novel anisotropic multidimensional convolution filters for derivative estimation and reconstruction" in Proceedings of International Conference on Signal Processing and Communications, November 2007), first transforms any given multidimensional problem into a unique one, by transforming coordinates of the sampled data nodes to unity-spaced, uniform data nodes, and then performs filtering and calculates partial derivatives on the unity-spaced nodes. It is followed by transporting the calculated derivatives back onto the original data nodes by using the chain rule of differentiation. The burden to performing the most cumbersome task, which is to carry out the filtering and to obtain derivatives on the unity-spaced nodes, is almost eliminated by providing convolution coefficients for a number of convolution kernel sizes and polynomial orders, up to four spatial dimensions. With the availability of the convolution coefficients, the task of filtering at a data node reduces merely to multiplication of two known matrices. Simplified strategies to adequately address near-boundary data nodes and to calculate partial derivatives there are also proposed. Finally, the proposed methodologies are applied to a three-dimensional experimentally obtained data set, which shows that multidimensional Savitzky-Golay filters and differentiators perform well in both the internal and the near-boundary regions of the domain.

Displacement Vector Measurement Using 2D Modulation by Virtual Hyperbolic Beam Forming

NASA Astrophysics Data System (ADS)

Kondo, Kengo; Yamakawa, Makoto; Shiina, Tsuyoshi

For the purpose of diagnosing ischemic heart disease by detection of malfunction area and cancer tumor by detection of hard area, 3-D tissue motion must be correctly evaluated. So far various methods of measuring multidimensional displacement have been developed. Most of present techniques are restricted to one-dimensional measurement of tissue displacement such as myocardial stain-rate imaging. Although lateral modulation method enables us to attain high-accuracy measurement of lateral displacement as well as axial direction by generating lateral oscillating RF signals, the method causes distorted RF far from center of aperture. As a result, the method is not suited to sector scan which is used for myocardial examination. We propose a method to solve the problem by using 2-D modulation with the virtual hyperbolic beam forming and detection of 2-D displacement vector. The feasibilities of the proposed method were evaluated by numerically simulating the left ventricle short-axis imaging of cylindrical myocardial model. The volume strain image obtained by the proposed method clearly depicted the hard infarction area where conventional multi-beam Doppler imaging could not.

High-resolution one-photon absorption spectroscopy of the D2Σ- ← X2 Π system of radical OH and OD

NASA Astrophysics Data System (ADS)

Heays, A. N.; de Oliveira, N.; Gans, B.; Ito, K.; Boyé-Péronne, S.; Douin, S.; Hickson, K. M.; Nahon, L.; Loison, J. C.

2018-01-01

Vacuum-ultraviolet (VUV) photoabsorption spectra were recorded of the A2Σ+(v‧ = 0) ← X2 Π(v‧‧ = 0) , D2Σ-(v‧ = 0) ← X2 Π(v‧‧ = 0) and D2Σ-(v‧ = 1) ← X2 Π(v‧‧ = 0) bands of the OH and OD radicals generated in a plasma-discharge source using synchrotron radiation as a background continuum coupled with the VUV Fourier-transform spectrometer on the DESIRS beamline of synchrotron SOLEIL. High-resolution spectra permitted the quantification of transition frequencies, relative f-values, and natural line broadening. The f-values were absolutely calibrated with respect to a previous measurement of A2Σ+(v‧ = 0) ← X2 Π(v‧‧ = 0) (Wang et al., 1979). Lifetime broadening of the excited D2Σ-(v = 0) and D2Σ-(v = 1) levels is measured for the first time and compared with previous experimental limits, and implies a lifetime 5 times shorter than a theoretical prediction (van der Loo and Groenenboom, 2005). A local perturbation of the D2Σ-(v = 0) level in OH was found.

Non-proximate mass spectrometry using a heated 1-m long PTFE tube and an air-tight APCI ion source.

PubMed

Usmanov, Dilshadbek T; Hiraoka, Kenzo; Wada, Hiroshi; Matsumura, Masaya; Sanada-Morimura, Sachiyo; Nonami, Hiroshi; Yamabe, Shinichi

2017-06-22

Direct and rapid trace-level gas analysis is highly needed in various fields such as safety and security, quality control, food analysis, and forensic medicine. In many cases, the real samples are bulky and are not accessible to the space-limited ion source of the mass spectrometer. In order to circumvent this problem, we developed an airtight atmospheric-pressure chemical ionization (APCI) ion source equipped with a flexible 1-m-long, 2-mm-i.d. PTFE sniffing tube. The ambient air bearing sample gas was sucked into the heated PTFE tube (130 °C) and was transported to the air-tight ion source without using any extra pumping system or a Venturi device. Analytes were ionized by an ac corona discharge located at 1.5 mm from the inlet of the mass spectrometer. By using the airtight ion source, all the ionized gas in the ion source was introduced into the vacuum of the mass spectrometer via only the evacuation of the mass spectrometer (1.6 l min -1 ). Sub-pg limits of detection were obtained for carbaryl and trinitrotoluene. Owing to its flexibility and high sensitivity, the sniffing tube coupled with a mass spectrometer can be used as the stethoscope for the high-sensitive gas analysis. The experimental results obtained for drugs, hydrogen peroxide and small alkanes were discussed by DFT calculations. Copyright © 2017 Elsevier B.V. All rights reserved.

Web-based three-dimensional geo-referenced visualization

NASA Astrophysics Data System (ADS)

Lin, Hui; Gong, Jianhua; Wang, Freeman

1999-12-01

This paper addresses several approaches to implementing web-based, three-dimensional (3-D), geo-referenced visualization. The discussion focuses on the relationship between multi-dimensional data sets and applications, as well as the thick/thin client and heavy/light server structure. Two models of data sets are addressed in this paper. One is the use of traditional 3-D data format such as 3-D Studio Max, Open Inventor 2.0, Vis5D and OBJ. The other is modelled by a web-based language such as VRML. Also, traditional languages such as C and C++, as well as web-based programming tools such as Java, Java3D and ActiveX, can be used for developing applications. The strengths and weaknesses of each approach are elaborated. Four practical solutions for using VRML and Java, Java and Java3D, VRML and ActiveX and Java wrapper classes (Java and C/C++), to develop applications are presented for web-based, real-time interactive and explorative visualization.

A light field microscope imaging spectrometer based on the microlens array

NASA Astrophysics Data System (ADS)

Yao, Yu-jia; Xu, Feng; Xia, Yin-xiang

2017-10-01

A new light field spectrometry microscope imaging system, which was composed by microscope objective, microlens array and spectrometry system was designed in this paper. 5-D information (4-D light field and 1-D spectrometer) of the sample could be captured by the snapshot system in only one exposure, avoiding the motion blur and aberration caused by the scanning imaging process of the traditional imaging spectrometry. Microscope objective had been used as the former group while microlens array used as the posterior group. The optical design of the system was simulated by Zemax, the parameter matching condition between microscope objective and microlens array was discussed significantly during the simulation process. The result simulated in the image plane was analyzed and discussed.

The open-source neutral-mass spectrometer on Atmosphere Explorer-C, -D, and -E.

NASA Technical Reports Server (NTRS)

Nier, A. O.; Potter, W. E.; Hickman, D. R.; Mauersberger, K.

1973-01-01

The open-source mass spectrometer will be used to obtain the number densities of the neutral atmospheric gases in the mass range 1 to 48 amu at the satellite location. The ion source has been designed to allow gas particles to enter the ionizing region with the minimum practicable number of prior collisions with surfaces. This design minimizes the loss of atomic oxygen and other reactive species due to reactions with the walls of the ion source. The principal features of the open-source spectrometer and the laboratory calibration system are discussed.

Using multi-dimensional Smolyak interpolation to make a sum-of-products potential

DOE Office of Scientific and Technical Information (OSTI.GOV)

Avila, Gustavo, E-mail: Gustavo-Avila@telefonica.net; Carrington, Tucker, E-mail: Tucker.Carrington@queensu.ca

2015-07-28

We propose a new method for obtaining potential energy surfaces in sum-of-products (SOP) form. If the number of terms is small enough, a SOP potential surface significantly reduces the cost of quantum dynamics calculations by obviating the need to do multidimensional integrals by quadrature. The method is based on a Smolyak interpolation technique and uses polynomial-like or spectral basis functions and 1D Lagrange-type functions. When written in terms of the basis functions from which the Lagrange-type functions are built, the Smolyak interpolant has only a modest number of terms. The ideas are tested for HONO (nitrous acid)

Experimental verification of multidimensional quantum steering

NASA Astrophysics Data System (ADS)

Li, Che-Ming; Lo, Hsin-Pin; Chen, Liang-Yu; Yabushita, Atsushi

2018-03-01

Quantum steering enables one party to communicate with another remote party even if the sender is untrusted. Such characteristics of quantum systems not only provide direct applications to quantum information science, but are also conceptually important for distinguishing between quantum and classical resources. While concrete illustrations of steering have been shown in several experiments, quantum steering has not been certified for higher dimensional systems. Here, we introduce a simple method to experimentally certify two different kinds of quantum steering: Einstein-Podolsky-Rosen (EPR) steering and single-system (SS) steering (i.e., temporal steering), for dimensionality (d) up to d = 16. The former reveals the steerability among bipartite systems, whereas the latter manifests itself in single quantum objects. We use multidimensional steering witnesses to verify EPR steering of polarization-entangled pairs and SS steering of single photons. The ratios between the measured witnesses and the maximum values achieved by classical mimicries are observed to increase with d for both EPR and SS steering. The designed scenario offers a new method to study further the genuine multipartite steering of large dimensionality and potential uses in quantum information processing.

Large-Aperture [O I] 6300 A Photometry of Comet Hale-Bopp: Implications for the Photochemistry of OH

NASA Technical Reports Server (NTRS)

Morgenthaler, Jeffrey P.; Harris, Walter M.; Scherb, Frank; Anderson, Christopher M.; Oliversen, Ronald J.; Doane, Nathaniel E.; Combi, Michael R.; Marconi, Maximus L.; Smyth, William H.

2001-01-01

Large-aperture photometric observations of comet Hale-Bopp (C/1995 O1) in the forbidden red line of neutral oxygen ([O I] 6300 angstroms) with the 150 mm dual-etalon Fabry-Perot spectrometer that comprises the Wisconsin H-alpha Mapper and a 50 mm dual-etalon Fabry-Perot spectrometer at the McMath-Pierce main telescope from 1997 late February to mid April yield a total metastable O((sup 1)D) production rate of (2.3-5.9) x 10(exp 30)/s. Applying the standard H2O and OH photodissociation branching ratios, we derive a water production rate, Q(H2O), of (2.6-6.1) x 10(exp 31)/s, which disagrees with Q(H2O = 1x10(exp 31)/s determined by independent H2O, OH, and H measurements. Furthermore, our own [O I] 6300 observations of the inner coma (< 30,000 km) using the 3.5 m Wisconsin-Indiana-Yale-NOAO telescope Hydra and Densepak multi-object spectrographs yield Q(H2O) = 1 x 10(exp 31)/s. Using our [O I] 6300 data, which cover spatial scales ranging from 2,000 to 1x10(exp 6) km, and a complementary set of wide-field ground-based OH images, we can constrain the sources of the apparent excess O((sup 1)D) emission to the outer coma, where photodissociation of OH is assumed to be the dominant O((sup 1)D) production mechanism. From production rates of other oxygen-bearing volatiles (e.g., CO and CO2), we can account for at most 30% of the observed excess O((sup 1)D) emission. Since even less O((sup 1)D) should be coming from other sources (e.g., electron excitation of neutral O and distributed nonnuclear sources of H2O), we hypothesize that the bulk of the excess O((sup 1)D) is likely coming from photodissociating OH. Using the experimental OH photo-dissociation cross section of Nee and Lee at Ly-alpha as a guide in modifying the theoretical OH cross sections of van Dishoeck and Dalgarno, we can account for approximately 60% of the observed O((sup 1)D) excess without requiring major modifications to the other OH branching ratios or the total OH photodissociation lifetime.

Large-Aperture [O I] 6300 Å Photometry of Comet Hale-Bopp: Implications for the Photochemistry of OH

NASA Astrophysics Data System (ADS)

Morgenthaler, Jeffrey P.; Harris, Walter M.; Scherb, Frank; Anderson, Christopher M.; Oliversen, Ronald J.; Doane, Nathaniel E.; Combi, Michael R.; Marconi, Maximus L.; Smyth, William H.

2001-12-01

Large-aperture photometric observations of comet Hale-Bopp (C/1995 O1) in the forbidden red line of neutral oxygen ([O I] 6300 Å) with the 150 mm dual-etalon Fabry-Pérot spectrometer that comprises the Wisconsin Hα Mapper and a 50 mm dual-etalon Fabry-Pérot spectrometer at the McMath-Pierce main telescope from 1997 late February to mid April yield a total metastable O(1D) production rate of (2.3-5.9)×1030 s-1. Applying the standard H2O and OH photodissociation branching ratios found in Huebner, Keady, & Lyon and van Dishoeck & Dalgarno, we derive a water production rate, Q(H2O), of (2.6-6.1)×1031 s-1, which disagrees with Q(H2O)~1×1031 s-1 determined by independent H2O, OH, and H measurements. Furthermore, our own [O I] 6300 Å observations of the inner coma (<30,000 km) using the 3.5 m Wisconsin-Indiana-Yale-NOAO telescope Hydra and Densepak multiobject spectrographs yield Q(H2O)~1×1031 s-1. Using our [O I] 6300 Å data, which cover spatial scales ranging from 2,000 to 1×106 km, and a complementary set of wide-field ground-based OH images, we can constrain the sources of the apparent excess O(1D) emission to the outer coma, where photodissociation of OH is assumed to be the dominant O(1D) production mechanism. From production rates of other oxygen-bearing volatiles (e.g., CO and CO2), we can account for at most 30% of the observed excess O(1D) emission. Since even less O(1D) should be coming from other sources (e.g., electron excitation of neutral O and distributed nonnuclear sources of H2O), we hypothesize that the bulk of the excess O(1D) is likely coming from photodissociating OH. Using the experimental OH photodissociation cross section of Nee & Lee at Lyα as a guide in modifying the theoretical OH cross sections of van Dishoeck & Dalgarno, we can account for ~60% of the observed O(1D) excess without requiring major modifications to the other OH branching ratios or the total OH photodissociation lifetime.

Moessbauer Footprint in the Soil

NASA Technical Reports Server (NTRS)

2004-01-01

This 3-D image taken by the microscopic imager onboard the Mars Exploration Rover Opportunity shows a circular imprint left in the Meridiani Planum soil by the rover's Moessbauer spectrometer, an instrument located on its arm that detects iron-bearing minerals. Scientists are studying the curiously rounded grains for clues about the soil's history. The observed area is 3 centimeters (1.2 inches) across.

PASSIVELY ESTIMATING INDEX OF REFRACTION FOR SPECULAR REFLECTORS USING POLARIMETRIC HYPERSPECTRAL IMAGING

DTIC Science & Technology

2016-12-22

23 6 Band-averaged radiance image with checkerboard is shown in the upper left. The 2-D Fourier transform of the image is...red is 1) that is multiplied by the Fourier transform of the original image. The inverse Fourier transform is then taken to get the final image with...Polarization . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15 IFTS Imaging Fourier Transform Spectrometer

Ternary recombination of H3+, H2D+, HD2+, and D3+ with electrons in He/Ar/H2/D2 gas mixtures

NASA Astrophysics Data System (ADS)

Kalosi, Abel; Dohnal, Petr; Plasil, Radek; Johnsen, Rainer; Glosik, Juraj

2016-09-01

The temperature dependence of the ternary recombination rate coefficients of H2D+ and HD2+ ions has been studied in the temperature range of 80-150 K at pressures from 500 to 1700 Pa in a stationary afterglow apparatus equipped with a cavity ring-down spectrometer. Neutral gas mixtures consisting of He/Ar/H2/D2 (with typical number densities 1017 /1014 /1014 /1014 cm-3) were employed to produce the desired ionic species and their fractional abundances were monitored as a function of helium pressure and the [D2]/[H2] ratio of the neutral gas. In addition, the translational and the rotational temperature and the ortho to para ratio were monitored for both H2D+ and HD2+ ions. A fairly strong pressure dependence of the effective recombination rate coefficient was observed for both ion species, leading to ternary recombination rate coefficients close to those previously found for (helium assisted) ternary recombination of H3+ and D3+. Work supported by: Czech Science Foundation projects GACR 14-14649P, GACR 15-15077S, GACR P209/12/0233, and by Charles University in Prague Project Nr. GAUK 692214.

Elemental mapping in a contemporary miniature by full-field X-ray fluorescence imaging with gaseous detector vs. scanning X-ray fluorescence imaging with polycapillary optics

NASA Astrophysics Data System (ADS)

Silva, A. L. M.; Cirino, S.; Carvalho, M. L.; Manso, M.; Pessanha, S.; Azevedo, C. D. R.; Carramate, L. F. N. D.; Santos, J. P.; Guerra, M.; Veloso, J. F. C. A.

2017-03-01

Energy dispersive X-ray imaging can be used in several research fields and industrial applications. Elemental mapping through energy dispersive X-ray imaging technique has become a promising method to obtain positional distribution of specific elements in a non-destructive way. To obtain the elemental distribution of a sample it is necessary to use instruments capable of providing a precise positioning together with a good energy resolution. Polycapillary beams together with silicon drift chamber detectors are used in several commercial systems and are considered state-of-the-art spectrometers, however they are usually very costly. A new concept of large energy dispersive X-ray imaging systems based on gaseous radiation detectors emerged in the last years enabling a promising 2D elemental detection at a very reduced price. The main goal of this work is to analyze a contemporary Indian miniature with both X-ray fluorescence imaging systems, the one based on a gaseous detector 2D-THCOBRA and the state-of-the-art spectrometer M4 Tornado, from Bruker. The performance of both systems is compared and evaluated in the context of the sample's analysis.

Multidimensional Poverty and Health Status as a Predictor of Chronic Income Poverty.

PubMed

Callander, Emily J; Schofield, Deborah J

2015-12-01

Longitudinal analysis of Wave 5 to 10 of the nationally representative Household, Income and Labour Dynamics in Australia dataset was undertaken to assess whether multidimensional poverty status can predict chronic income poverty. Of those who were multidimensionally poor (low income plus poor health or poor health and insufficient education attainment) in 2007, and those who were in income poverty only (no other forms of disadvantage) in 2007, a greater proportion of those in multidimensional poverty continued to be in income poverty for the subsequent 5 years through to 2012. People who were multidimensionally poor in 2007 had 2.17 times the odds of being in income poverty each year through to 2012 than those who were in income poverty only in 2005 (95% CI: 1.23-3.83). Multidimensional poverty measures are a useful tool for policymakers to identify target populations for policies aiming to improve equity and reduce chronic disadvantage. Copyright © 2014 John Wiley & Sons, Ltd.

Multidimensional upwind hydrodynamics on unstructured meshes using graphics processing units - I. Two-dimensional uniform meshes

NASA Astrophysics Data System (ADS)

Paardekooper, S.-J.

2017-08-01

We present a new method for numerical hydrodynamics which uses a multidimensional generalization of the Roe solver and operates on an unstructured triangular mesh. The main advantage over traditional methods based on Riemann solvers, which commonly use one-dimensional flux estimates as building blocks for a multidimensional integration, is its inherently multidimensional nature, and as a consequence its ability to recognize multidimensional stationary states that are not hydrostatic. A second novelty is the focus on graphics processing units (GPUs). By tailoring the algorithms specifically to GPUs, we are able to get speedups of 100-250 compared to a desktop machine. We compare the multidimensional upwind scheme to a traditional, dimensionally split implementation of the Roe solver on several test problems, and we find that the new method significantly outperforms the Roe solver in almost all cases. This comes with increased computational costs per time-step, which makes the new method approximately a factor of 2 slower than a dimensionally split scheme acting on a structured grid.

Determining the Local Abundance of Martian Methane and its 13-C/l2-C and D/H Isotopic Ratios for Comparison with Related Gas and Soil Analysis on the 2011 Mars Science Laboratory (MSL) Mission

NASA Technical Reports Server (NTRS)

Webster, Christopher R.; Mahaffy, Paul R.

2011-01-01

Understanding the origin of Martian methane will require numerous complementary measurements from both in situ and remote sensing investigations and laboratory work to correlate planetary surface geophysics with atmospheric dynamics and chemistry. Three instruments (Quadrupole Mass Spectrometer (QMS), Gas Chromatograph (GC) and Tunable Laser Spectrometer (TLS)) with sophisticated sample handling and processing capability make up the Sample Analysis at Mars (SAM) analytical chemistry suite on NASA s 2011 Mars Science Laboratory (MSL) Mission. Leveraging off the SAM sample and gas processing capability that includes methane enrichment, TLS has unprecedented sensitivity for measuring absolute methane (parts-per-trillion), water, and carbon dioxide abundances in both the Martian atmosphere and evolved from heated soil samples. In concert with a wide variety of associated trace gases (e.g. SO2, H2S, NH3, higher hydrocarbons, organics, etc.) and other isotope ratios measured by SAM, TLS will focus on determining the absolute abundances of methane, water and carbon dioxide, and their isotope ratios: 13C/12C and D/H in methane; 13C/12C and 18O/17O/16O in carbon dioxide; and 18O/17O/16O and D/H in water. Measurements near the MSL landing site will be correlated with satellite (Mars Express, Mars 2016) and ground-based observations.

Tables of thermospheric temperature, density and composition derived from satellite and ground based measurements. Volume 1: Ap=4

NASA Technical Reports Server (NTRS)

Hedin, A. E.

1979-01-01

The tables contain the neutral temperature, neutral densities for N2, O2, O, Ar, He and H, mean molecular weight, and total mass density as predicted by the Mass Spectrometer and Incoherent Scatter empirical thermosphere model for selected altitudes, latitudes, local times, days and other geophysical conditions. The model is based on a least squares fit to density data from mass spectrometers on five satellites and temperature data from four incoherent scatter stations, providing coverage for most of solar sunspot cycle 20. Included in the model data base are longitudinally average N3, He, and O densities from the OGO-6 mass spectrometer longitudinally average N2, He, O and Ar densities from the AEROS-A (NATE) mass spectrometer the N2, He, O, and Ar densities from the San Marco 3 mass spectrometer the N2 densities from the AE-B mass spectrometer and the N2, He, O, and Ar densities from the AE-C (OSS, NACE, NATE) mass spectrometers. The O2 and H densities are inferred using ion mass spectrometer data from AE-C (BIMS). Neutral exospheric temperature data are included from Arecibo, St. Santin, Millstone Hill and Jicamarca.

Dissociative charge transfer of H/+/ ions with H2 and D2 molecules from 78 to 330 K

NASA Technical Reports Server (NTRS)

Johnsen, R.; Chen, A.; Biondi, M. A.

1980-01-01

The dissociative charge transfer of He(+) ions with H2 and D2 molecules has been studied using a temperature-variable drift-tube mass-spectrometer apparatus over the temperature range 78 to 330 K. The binary rate coefficients are small at 300 K, approximately 10 to the -13th to 10 to the -14th cu cm/sec, and only slightly larger at 78 K. Termolecular contributions to the binary rate coefficients are found to be small at 330 K but increase substantially with decreasing temperature. Two-body charge transfer with D2 is found to be slower than with H2 by a factor of 10, in good agreement with recent theoretical predictions, although the measured values of the rate coefficients are larger by a factor of about 4 than the predicted values.

Electron-ion recombination in low temperature hydrogen/deuterium plasma

NASA Astrophysics Data System (ADS)

Glosík, Juraj; Dohnal, Petr; Kálosi, Ábel; Augustovičová, Lucie D.; Shapko, Dmytro; Roučka, Štěpán; Plašil, Radek

2018-01-01

The stationary afterglow with cavity ring down spectrometer (SA-CRDS) was used to study the recombination of H3+, H2D+, HD2+ and D3+ ions with electrons in low temperature (77-300 K) plasmas in He/Ar/H2/D2 gas mixtures. By measuring effective recombination rate coefficients (αeff) in plasma with mixtures of ions and their dependences on temperature and partial densities of He, H2 and D2, αeff (T, [He],[H2],[D2]), we determined binary (αbinH3, αbinH2D, αbinHD2, αbinD3) and ternary (KH3, KH2D, KHD2, KD3) recombination rate coefficients for H3+, H2D+, HD2+ and D3+ ions. For all four ions we observed very efficient He assisted ternary recombination which is comparable with binary recombination already at [He] =1 × 1017 cm-3. The removal of excited particles in afterglow plasma was monitored to obtain the plasma thermalisation rate at given experimental conditions. The inferred deexcitation rates for reaction of helium metastable atoms with D2 are kD2 (300 K)=(2.1 ± 0.3) × 10-10 cm3 s-1 and kD2 (140 K)=(1.3 ± 0.3) × 10-10 cm3 s-1. Contribution to the topical issue "Plasma Sources and Plasma Processes (PSPP)", edited by Luis Lemos Alves, Thierry Belmonte and Tiberiu Minea.

Miniaturized spectrometer for stand-off chemical detection

NASA Astrophysics Data System (ADS)

Henning, Patrick F.; Chadha, Suneet; Damren, Richard; Rowe, Rebecca C.; Stevenson, Chuck; Curtiss, Lawrence E.; DiGiuseppe, Thomas G.

2002-02-01

Advanced autonomous detection of both chemical warfare agents and toxic industrial chemicals has long been of major military concern and is becoming an increasingly realistic need. Foster-Miller has successfully designed and demonstrated a high spectral throughput monolithic wedge spectrometer capable of providing early, stand-off detection of chemical threats. Recent breakthrough innovations in IR source technologies, high D* multispectral array detectors, and IR waveguide materials has allowed for the development of a robust, miniature, monolithic infrared spectrometer. Foster-Miller recently demonstrated a high resolution spectrometer operating in the 8 to 12 micron region for chemical agent detection. Results will be presented demonstrating the feasibility of adapting the wedge spectrometer to operate as an upward looking ground sensor for stand-off chemical detection. Our miniaturized spectrometer forms the basis for deploying low cost, lightweight sensors which may be used for reconnaissance missions or delivered to remote locations for unattended operation. The ability of perform passive stand-off infrared chemical agent and chemical emissions detection with a low cost, compact device that can operate autonomously in remote environments has broad applications in both the military and commercial marketplace.

Comparative assessment of astigmatism-corrected Czerny-Turner imaging spectrometer using off-the-shelf optics

NASA Astrophysics Data System (ADS)

Yuan, Qun; Zhu, Dan; Chen, Yueyang; Guo, Zhenyan; Zuo, Chao; Gao, Zhishan

2017-04-01

We present the optical design of a Czerny-Turner imaging spectrometer for which astigmatism is corrected using off-the-shelf optics resulting in spectral resolution of 0.1 nm. The classic Czerny-Turner imaging spectrometer, consisting of a plane grating, two spherical mirrors, and a sensor with 10-μm pixels, was used as the benchmark. We comparatively assessed three configurations of the spectrometer that corrected astigmatism with divergent illumination of the grating, by adding a cylindrical lens, or by adding a cylindrical mirror. When configured with the added cylindrical lens, the imaging spectrometer with a point field of view (FOV) and a linear sensor achieved diffraction-limited performance over a broadband width of 400 nm centered at 800 nm, while the maximum allowable bandwidth was only 200 nm for the other two configurations. When configured with the added cylindrical mirror, the imaging spectrometer with a one-dimensional field of view (1D FOV) and an area sensor showed its superiority on imaging quality, spectral nonlinearity, as well as keystone over 100 nm bandwidth and 10 mm spatial extent along the entrance slit.

X-ray spectroscopy of the super soft source RXJ0925.7-475

NASA Technical Reports Server (NTRS)

Ebisawa, Ken; Asai, Kazumi; Dotani, Tadayasu; Mukai, Koji; Smale, Alan

1996-01-01

The super soft source (SSS) RXJ 0925.7-475 was observed with the Advanced Satellite for Cosmology and Astrophysics (ASCA) solid state spectrometer and its energy spectrum was analyzed. A simple black body model does not fit the data, and several absorption edges of ionized heavy elements are required. Without the addition of absorption edges, the best-fit black body radius and the estimated bolometric luminosity are 6800 (d/1 kpc) km and 1.2 x 10(exp 37) (d/1 kps)(exp 2) erg/s, respectively. The introduction of absorption edges significantly reduces the best-fit radius and luminosity to 140 (d/1 KPS) km and 6 x 10(exp 34) (d/1 kpc)(exp 2) erg/s, respectively. This suggests that the estimation of the emission region size and luminosity of SSS based on the black body model fit to the observed data is not reliable.

Visualizing Science Dissections in 3D: Contextualizing Student Responses to Multidimensional Learning Materials in Science Dissections

NASA Astrophysics Data System (ADS)

Walker, Robin Annette

A series of dissection tasks was developed in this mixed-methods study of student self-explanations of their learning using actual and virtual multidimensional science dissections and visuo-spatial instruction. Thirty-five seventh-grade students from a science classroom (N = 20 Female/15 Male, Age =13 years) were assigned to three dissection environments instructing them to: (a) construct static paper designs of frogs, (b) perform active dissections with formaldehyde specimens, and (c) engage with interactive 3D frog visualizations and virtual simulations. This multi-methods analysis of student engagement with anchored dissection materials found learning gains on labeling exercises and lab assessments among most students. Data revealed that students who correctly utilized multimedia text and diagrams, individually and collaboratively, manipulated 3D tools more effectively and were better able to self-explain and complete their dissection work. Student questionnaire responses corroborated that they preferred learning how to dissect a frog using 3D multimedia instruction. The data were used to discuss the impact of 3D technologies, programs, and activities on student learning, spatial reasoning, and their interest in science. Implications were drawn regarding how to best integrate 3D visualizations into science curricula as innovative learning options for students, as instructional alternatives for teachers, and as mandated dissection choices for those who object to physical dissections in schools.

D/H RATIO OF TITAN FROM OBSERVATIONS OF THE CASSINI/COMPOSITE INFRARED SPECTROMETER

DOE Office of Scientific and Technical Information (OSTI.GOV)

Abbas, M. M.; LeClair, A.; Kandadi, H., E-mail: mian.m.abbas@nasa.go, E-mail: andre.c.leClair@nasa.go, E-mail: harini.kandadi@uah.ed

2010-01-01

The Composite Infrared Spectrometer (CIRS) aboard the Cassini spacecraft, launched in 1997 October and inserted into Saturn's orbit in 2004 July for exploration of the Saturnian system, has been making observations of Titan during its close flybys. The infrared spectra of Titan observed over a wide range of latitudes cover the 10-1400 cm{sup -1} spectral region with variable apodized resolutions from 0.53 to 15 cm{sup -1}. The spectra exhibit features of the nu{sub 4} band of methane (CH{sub 4}) in the 1300 cm{sup -1} region, and the deuterated isotope of methane (CH{sub 3}D) centered around 1156 cm{sup -1}, along withmore » features of many trace constituents in other spectral regions, comprising hydrocarbons and nitriles in Titan's atmosphere. An analysis of the observed infrared spectra in the 1300 cm{sup -1} and 1156 cm{sup -1} regions, respectively, permits retrieval of the thermal structure and the CH{sub 3}D distributions of Titan's atmosphere. In this paper, we present a comprehensive analysis of the CIRS infrared spectra for retrieval of the CH{sub 3}D abundance and the corresponding D/H ratio in Titan's atmosphere. The analysis is based on the 0.53 cm{sup -1} resolution infrared spectra obtained during the Titan flybys from 2004 July 3 to 2008 May 28 over a range of latitudes extending from 74.{sup 0}4 N to 84.{sup 0}9 S. Using the CH{sub 4} mixing ratio of 1.4 x 10{sup -2} as measured by the Gas Chromatograph and Mass Spectrometer on the Huygens probe on the Cassini mission, we determine the D/H ratio of Titan as (1.58 +- 0.16) x 10{sup -4}, where the 1sigma uncertainty includes the standard deviation due to spectral noise and the estimated errors arising from uncertainties in the temperature retrieval, the mixing ratio of CH{sub 4}, and the spectral line parameters. Comparison of this value with the previously measured values for Titan as well as in other astrophysical sources, and its possible implications are discussed.« less

High-speed spectral domain polarization- sensitive optical coherence tomography using a single camera and an optical switch at 1.3 microm.

PubMed

Lee, Sang-Won; Jeong, Hyun-Woo; Kim, Beop-Min

2010-01-01

We propose high-speed spectral domain polarization-sensitive optical coherence tomography (SD-PS-OCT) using a single camera and a 1x2 optical switch at the 1.3-microm region. The PS-low coherence interferometer used in the system is constructed using free-space optics. The reflected horizontal and vertical polarization light rays are delivered via an optical switch to a single spectrometer by turns. Therefore, our system costs less to build than those that use dual spectrometers, and the processes of timing and triggering are simpler from the viewpoints of both hardware and software. Our SD-PS-OCT has a sensitivity of 101.5 dB, an axial resolution of 8.2 microm, and an acquisition speed of 23,496 A-scans per second. We obtain the intensity, phase retardation, and fast axis orientation images of a rat tail tendon ex vivo.

Response function of single crystal synthetic diamond detectors to 1-4 MeV neutrons for spectroscopy of D plasmas

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rebai, M., E-mail: marica.rebai@mib.infn.it; Nocente, M.; Rigamonti, D.

2016-11-15

A Single-crystal Diamond (SD) detector prototype was installed at Joint European Torus (JET) in 2013 and the achieved results have shown its spectroscopic capability of measuring 2.5 MeV neutrons from deuterium plasmas. This paper presents measurements of the SD response function to monoenergetic neutrons, which is a key point for the development of a neutron spectrometer based on SDs and compares them with Monte Carlo simulations. The analysis procedure allows for a good reconstruction of the experimental results. The good pulse height energy resolution (equivalent FWHM of 80 keV at 2.5 MeV), gain stability, insensitivity to magnetic field, and compactmore » size make SDs attractive as compact neutron spectrometers of high flux deuterium plasmas, such as for instance those needed for the ITER neutron camera.« less

The OSIRIS-REx Thermal Emission Spectrometer (OTES)

NASA Astrophysics Data System (ADS)

Hamilton, Victoria; Christensen, Philip

2014-05-01

The OSIRIS-REx (Origins, Spectral Interpretation, Resource Identification, and Security-Regolith Explorer) mission is a planetary science mission that will study and return a sample from the carbonaceous asteroid Bennu (1999 RQ36). It is the third mission selected under NASA's New Frontiers Program, and is scheduled to be launched in September of 2016 [1]. The spacecraft will carry a suite of instruments designed to map the physical and mineralogical/chemical properties of Bennu at extremely high spatial resolution (down to cm-scales) to both characterize the asteroid in detail (providing context for the returned sample and data for comparison to astronomical observations) and select a safe and scientifically compelling sample site. The OSIRIS-REx Thermal Emission Spectrometer (OTES) is an uncooled, FTIR point spectrometer that will map the thermal flux and spectral properties of the asteroid Bennu to characterize the Yarkovsky effect and map the surface mineralogy. OTES measures from ~5 - 50 µm with a signal to noise ratio (SNR) of >325 between 7.4 and 33.3 μm for a 325 K target. The design of the spectrometer is heritage from the Mars Global Surveyor TES and the Mars Exploration Rovers Mini-TES instruments. The heart of the instrument is a Michelson interferometer that collects one interferogram every two seconds (where each two-second data acquisition is called an ICK, for Incremental Counter Keeper). OTES's spectral resolution is 10 cm-1 and its field of view is 8 mrad, which is achieved with a 15.2-cm f/3.91 Ritchey-Chretien telescope. At Bennu, OTES will have an accuracy of better than 3% and a precision (noise equivalent spectral radiance, NESR) of ≤2.3x10-8 W cm-2 sr-1 /cm-1 between 300 and 1350 cm-1. These values are sufficient to quantify the thermal flux responsible for the Yarkovsky effect and detect signatures of key minerals having band depths ≥5%. OTES in-flight calibration will be achieved via a two-point calibration that uses space and an internal, conical blackbody calibration target. The first in-flight observations will be collected during Earth gravity assist, which also will permit verification of co-alignment with the OSIRIS-REx OVIRS (visible and near infrared) spectrometer [2]. Mapping of the thermal and compositional variation of Bennu will take place at global (~40 m/pixel) and sample site (~4 m/pixel) scales over several mission phases and at multiple times of day, providing a comprehensive data set for thermophysical and compositional studies. [1] Lauretta, D. S. and the OSIRIS-REx Team (2012) Lunar and Planet. Sci., 43, #2491. [2] Simon-Miller, A. A. and D. C. Reuter (2013) Lunar and Planet. Sci., 44, #1100.

Atomic force microscopy for two-dimensional materials: A tutorial review

NASA Astrophysics Data System (ADS)

Zhang, Hang; Huang, Junxiang; Wang, Yongwei; Liu, Rui; Huai, Xiulan; Jiang, Jingjing; Anfuso, Chantelle

2018-01-01

Low dimensional materials exhibit distinct properties compared to their bulk counterparts. A plethora of examples have been demonstrated in two-dimensional (2-D) materials, including graphene and transition metal dichalcogenides (TMDCs). These novel and intriguing properties at the nano-, molecular- and even monatomic scales have triggered tremendous interest and research, from fundamental studies to practical applications and even device fabrication. The unique behaviors of 2-D materials result from the special structure-property relationships that exist between surface topographical variations and mechanical responses, electronic structures, optical characteristics, and electrochemical properties. These relationships are generally convoluted and sensitive to ambient and external perturbations. Characterizing these systems thus requires techniques capable of providing multidimensional information under controlled environments, such as atomic force microscopy (AFM). Today, AFM plays a key role in exploring the basic principles underlying the functionality of 2-D materials. In this tutorial review, we provide a brief introduction to some of the unique properties of 2-D materials, followed by a summary of the basic principles of AFM and the various AFM modes most appropriate for studying these systems. Following that, we will focus on five important properties of 2-D materials and their characterization in more detail, including recent literature examples. These properties include nanomechanics, nanoelectromechanics, nanoelectrics, nanospectroscopy, and nanoelectrochemistry.

Accessing Multi-Dimensional Images and Data Cubes in the Virtual Observatory

NASA Astrophysics Data System (ADS)

Tody, Douglas; Plante, R. L.; Berriman, G. B.; Cresitello-Dittmar, M.; Good, J.; Graham, M.; Greene, G.; Hanisch, R. J.; Jenness, T.; Lazio, J.; Norris, P.; Pevunova, O.; Rots, A. H.

2014-01-01

Telescopes across the spectrum are routinely producing multi-dimensional images and datasets, such as Doppler velocity cubes, polarization datasets, and time-resolved “movies.” Examples of current telescopes producing such multi-dimensional images include the JVLA, ALMA, and the IFU instruments on large optical and near-infrared wavelength telescopes. In the near future, both the LSST and JWST will also produce such multi-dimensional images routinely. High-energy instruments such as Chandra produce event datasets that are also a form of multi-dimensional data, in effect being a very sparse multi-dimensional image. Ensuring that the data sets produced by these telescopes can be both discovered and accessed by the community is essential and is part of the mission of the Virtual Observatory (VO). The Virtual Astronomical Observatory (VAO, http://www.usvao.org/), in conjunction with its international partners in the International Virtual Observatory Alliance (IVOA), has developed a protocol and an initial demonstration service designed for the publication, discovery, and access of arbitrarily large multi-dimensional images. The protocol describing multi-dimensional images is the Simple Image Access Protocol, version 2, which provides the minimal set of metadata required to characterize a multi-dimensional image for its discovery and access. A companion Image Data Model formally defines the semantics and structure of multi-dimensional images independently of how they are serialized, while providing capabilities such as support for sparse data that are essential to deal effectively with large cubes. A prototype data access service has been deployed and tested, using a suite of multi-dimensional images from a variety of telescopes. The prototype has demonstrated the capability to discover and remotely access multi-dimensional data via standard VO protocols. The prototype informs the specification of a protocol that will be submitted to the IVOA for approval, with an operational data cube service to be delivered in mid-2014. An associated user-installable VO data service framework will provide the capabilities required to publish VO-compatible multi-dimensional images or data cubes.

Development of an Automated Microfluidic Reaction Platform for Multidimensional Screening: Reaction Discovery Employing Bicyclo[3.2.1]octanoid Scaffolds

PubMed Central

Goodell, John R.; McMullen, Jonathan P.; Zaborenko, Nikolay; Maloney, Jason R.; Ho, Chuan-Xing; Jensen, Klavs F.; Porco, John A.

2010-01-01

An automated, silicon-based microreactor system has been developed for rapid, low-volume, multidimensional reaction screening. Use of the microfluidic platform to identify transformations of densely functionalized bicyclo[3.2.1]octanoid scaffolds will be described. PMID:20560568

Ionospheric research. [E region, F region, D region

NASA Technical Reports Server (NTRS)

1975-01-01

Progress is reported in the following areas: D-region theory; E and F-region; wave propagation; mass spectrometer measurements; and atmospheric reactions. Various supporting operations are included: design and construction of instrumentation; and programming.

Wedge filter imaging spectrometer

NASA Astrophysics Data System (ADS)

Bernardi, Pernelle; Bonafous, M.; Motisi, M.; Reess, J.-M.; Tanrin, J.; Laubier, D.

2017-11-01

LESIA (Laboratoire d'Etudes Spatiales et d'Instrumentation en Astrophysique, Observatoire de Paris-Meudon) has an extensive experience in visible and infrared imaging spectrometry with several instruments onboard planetary space missions (MarsExpress/OMEGA, VenusExpress/VIRTIS, Rosetta/VIRTIS).

Titan's methane clock

NASA Astrophysics Data System (ADS)

Nixon, C. A.; Jennings, D. E.; Romani, P. N.; Teanby, N. A.; Irwin, P. G. J.; Flasar, F. M.

2010-04-01

Measurements of the 12C/13C and D/H isotopic ratios in Titan's methane show intriguing differences from the values recorded in the giant planets. This implies that either (1) the atmosphere was differently endowed with material at the time of formation, or (2) evolutionary processes are at work in the moon's atmosphere - or some combination of the two. The Huygens Gas Chromatograph Mass Spectrometer Instrument (GCMS) found 12CH4/13CH4 = 82 +/- 1 (Niemann et al. 2005), some 7% lower than the giant planets' value of 88 +/- 7 (Sada et al. 1996), which closely matches the terrestrial inorganic standard of 89. The Cassini Composite Infrared Spectrometer (CIRS) has previously reported 12CH4/13CH4 of 77 +/-3 based on nadir sounding, which we now revise upwards to 80 +/- 4 based on more accurate limb sounding. The CIRS and GCMS results are therefore in agreement about an overall enrichment in 13CH4 of ~10%. The value of D/H in Titan's CH4 has long been controversial: historical measurements have ranged from about 8-15 x 10-5 (e.g. Coustenis et al. 1989, Coustenis et al. 2003). A recent measurement based on CIRS limb data by Bezard et al. (2007) puts the D/H in CH4 at (13 +/- 1) x 10-5, very much greater than in Jupiter and Saturn, ~2 x 10-5 (Mahaffy et al. 1998, Fletcher et al. 2009). To add complexity, the 12C/13C and D/H vary among molecules in Titan atmosphere, typically showing enhancement in D but depletion in 13C in the daughter species (H2, C2H2, C2H6), relative to the photochemical progenitor, methane. Jennings et al. (2009) have sought to interpret the variance in carbon isotopes as a Kinetic Isotope Effect (KIE), whilst an explanation for the D/H in all molecules remains elusive (Cordier et al. 2008). In this presentation we argue that evolution of isotopic ratios in Titan's methane over time forms a ticking 'clock', somewhat analogous to isotopic ratios in geochronology. Under plausible assumptions about the initial values and subsequent replenishment, various ages for atmosphere may be inferred, constraining Titan's possible histories.

CFD Modeling of Free-Piston Stirling Engines

NASA Technical Reports Server (NTRS)

Ibrahim, Mounir B.; Zhang, Zhi-Guo; Tew, Roy C., Jr.; Gedeon, David; Simon, Terrence W.

2001-01-01

NASA Glenn Research Center (GRC) is funding Cleveland State University (CSU) to develop a reliable Computational Fluid Dynamics (CFD) code that can predict engine performance with the goal of significant improvements in accuracy when compared to one-dimensional (1-D) design code predictions. The funding also includes conducting code validation experiments at both the University of Minnesota (UMN) and CSU. In this paper a brief description of the work-in-progress is provided in the two areas (CFD and Experiments). Also, previous test results are compared with computational data obtained using (1) a 2-D CFD code obtained from Dr. Georg Scheuerer and further developed at CSU and (2) a multidimensional commercial code CFD-ACE+. The test data and computational results are for (1) a gas spring and (2) a single piston/cylinder with attached annular heat exchanger. The comparisons among the codes are discussed. The paper also discusses plans for conducting code validation experiments at CSU and UMN.

COREPA-M: NEW MULTI-DIMENSIONAL FUNCTIONALITY OF THE COREPA METHOD

EPA Science Inventory

The COmmon REactivity PAttern (COREPA) method is a recently developed pattern recognition technique accounting for conformational flexibility of chemicals in 3-D quantitative structure-activity relationships (QSARs). The method is based on the assumption that non-congeneric chemi...

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zissa, D.E.; Barnes, V.E.; Carmony, D.D.

The elastic and topological p-barp cross sections have been measured at 48.9 GeV/c in the Fermilab proportional-wire-chamber--30-in.-bubble-chamber hybrid spectrometer. The elastic cross section is 7.81 +- 0.24 mb and the slope of the elastic differential cross section at t=0 is 13.4 +- 0.8 GeV/sup -2/. Further, the moments of the inelastic topological-cross-section distribution are =5.69 +- 0.03, /D=2.10 +- 0.02, and f/sup c/c/sub 2/=1.67 +- 0.12.

Measuring Sexual Orientation: A Review and Critique of U.S. Data Collection Efforts and Implications for Health Policy.

PubMed

Wolff, Margaret; Wells, Brooke; Ventura-DiPersia, Christina; Renson, Audrey; Grov, Christian

The U.S. Department of Health and Human Services' (HHS) Healthy People 2020 goals sought to improve health outcomes among sexual minorities; HHS acknowledged that a dearth of sexual orientation items in federal and state health surveys obscured a broad understanding of sexual minority-related health disparities. The HHS 2011 data progression plan aimed to advance sexual orientation data collection efforts at the national level. Sexual orientation is a complex, multidimensional construct often composed of sexual identity, sexual attraction, and sexual behavior, thus posing challenges to its quantitative and practical measurement and analysis. In this review, we (a) present existing sexual orientation constructs; (b) evaluate current HHS sexual orientation data collection efforts; (c) review post-2011 data progression plan research on sexual minority health disparities, drawing on HHS survey data; (d) highlight the importance of and (e) identify obstacles to multidimensional sexual orientation measurement and analysis; and (f) discuss methods for multidimensional sexual orientation analysis and propose a matrix for addressing discordance/branchedness within these analyses. Multidimensional sexual orientation data collection and analysis would elucidate sexual minority-related health disparities, guide related health policies, and enhance population-based estimates of sexual minority individuals to steer health care practices.

Markov blanket-based approach for learning multi-dimensional Bayesian network classifiers: an application to predict the European Quality of Life-5 Dimensions (EQ-5D) from the 39-item Parkinson's Disease Questionnaire (PDQ-39).

PubMed

Borchani, Hanen; Bielza, Concha; Martı Nez-Martı N, Pablo; Larrañaga, Pedro

2012-12-01

Multi-dimensional Bayesian network classifiers (MBCs) are probabilistic graphical models recently proposed to deal with multi-dimensional classification problems, where each instance in the data set has to be assigned to more than one class variable. In this paper, we propose a Markov blanket-based approach for learning MBCs from data. Basically, it consists of determining the Markov blanket around each class variable using the HITON algorithm, then specifying the directionality over the MBC subgraphs. Our approach is applied to the prediction problem of the European Quality of Life-5 Dimensions (EQ-5D) from the 39-item Parkinson's Disease Questionnaire (PDQ-39) in order to estimate the health-related quality of life of Parkinson's patients. Fivefold cross-validation experiments were carried out on randomly generated synthetic data sets, Yeast data set, as well as on a real-world Parkinson's disease data set containing 488 patients. The experimental study, including comparison with additional Bayesian network-based approaches, back propagation for multi-label learning, multi-label k-nearest neighbor, multinomial logistic regression, ordinary least squares, and censored least absolute deviations, shows encouraging results in terms of predictive accuracy as well as the identification of dependence relationships among class and feature variables. Copyright © 2012 Elsevier Inc. All rights reserved.

A Modular Implementation for the Simulation of 1D and 2D Solid-State NMR Spectra of Quadrupolar Nuclei in the Virtual Multifrequency Spectrometer-Draw Graphical Interface.

PubMed

Presti, Davide; Pedone, Alfonso; Licari, Daniele; Barone, Vincenzo

2017-05-09

We present the implementation of the solid state (SoS)NMR module for the simulation of several 1D and 2D NMR spectra of all the elements in the periodic table in the virtual multifrequency spectrometer (VMS). This module is fully integrated with the graphical user interface of VMS (VMS-Draw) [Licari et al., J. Comput. Chem. 36, 2015, 321-334], a freeware tool which allows a user-friendly handling of structures and analyses of advanced spectroscopical properties of chemical compounds-from model systems to real-world applications. Besides the numerous modules already available in VMS for the study of electronic, optical, vibrational, vibronic, and EPR properties, here the simulation of NMR spectra is presented with a particular emphasis on those techniques usually employed to investigate solid state systems. The SoSNMR module benefits from its ability to work under both periodic and nonperiodic conditions, such that small molecules/molecular clusters can be treated, as well as extended three-dimensional systems enforcing (or not) translational periodicity. These features allow VMS to simulate spectra resulting from NMR calculations by some popular quantum chemistry codes, namely Gaussian09/16, Castep, and Quantum Espresso. The effectiveness of the SoSNMR module of VMS is examined throughout the manuscript, and applied to simulate 1D static, MAS, and VAS NMR spectra as well as 2D correlation (90°, MAS) and MQMAS spectra of active NMR nuclei embedded in different amorphous and crystalline systems of actual interest in chemistry and material science. Finally, the program is able to simulate the spectra of both the total ensemble of spin-active nuclei present in the system and of subensembles differentiated depending on the chemical environment of the first and second coordination sphere in a very general way applicable to any kind of systems.

Solar-B Mission Extreme Ultraviolet (EUV) Imaging Spectrometer (EIS) Instrument Components

NASA Technical Reports Server (NTRS)

Doschek, George A.

2002-01-01

This Monthly Progress Report covers the reporting period August 2002 of the Detailed Design and Development through Launch plus Thirty Days, Phase C/D, for selected components and subsystems of the Extreme ultraviolet Imaging Spectrometer (EIS) instrument, hereafter referred to as EIS Instrument Components. This document contains the program status through the reporting period and forecasts the status for the upcoming reporting period.

SOLAR-B Mission Extreme Ultraviolet (EUV) Imaging Spectrometer (EIS) Instrument Components

NASA Technical Reports Server (NTRS)

Doschek, George A.

2001-01-01

This Monthly Progress Report covers the reporting period through June 2001, Phase C/D, Detailed Design and Development Through Launch Plus Thirty Days, for selected components and subsystems of the Extreme ultraviolet Imaging Spectrometer (EIS) instrument, hereafter referred to as EIS Instrument Components. This document contains the program status through the reporting period and forecasts the status for the upcoming reporting period.

SOLAR-B Mission Extreme Ultraviolet (EUV) Imaging Spectrometer (EIS) Instrument Components

NASA Technical Reports Server (NTRS)

Doschek, George A.

2001-01-01

This Monthly Progress Report covers the reporting period July 2001 of the Detailed Design and Development through Launch plus Thirty Days, Phase C/D, for selected components and subsystems of the Extreme Ultraviolet Imaging Spectrometer (EIS) instrument, hereafter referred to as EIS Instrument Components. This document contains the program status through the reporting period and forecasts the status for the upcoming reporting period.

A coherent discrete variable representation method on a sphere

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yu, Hua -Gen

Here, the coherent discrete variable representation (ZDVR) has been extended for construct- ing a multidimensional potential-optimized DVR basis on a sphere. In order to deal with the non-constant Jacobian in spherical angles, two direct product primitive basis methods are proposed so that the original ZDVR technique can be properly implemented. The method has been demonstrated by computing the lowest states of a two dimensional (2D) vibrational model. Results show that the extended ZDVR method gives accurate eigenval- ues and exponential convergence with increasing ZDVR basis size.

A coherent discrete variable representation method on a sphere

DOE PAGES

Yu, Hua -Gen

2017-09-05

Here, the coherent discrete variable representation (ZDVR) has been extended for construct- ing a multidimensional potential-optimized DVR basis on a sphere. In order to deal with the non-constant Jacobian in spherical angles, two direct product primitive basis methods are proposed so that the original ZDVR technique can be properly implemented. The method has been demonstrated by computing the lowest states of a two dimensional (2D) vibrational model. Results show that the extended ZDVR method gives accurate eigenval- ues and exponential convergence with increasing ZDVR basis size.

Large dynamic range terahertz spectrometers based on plasmonic photomixers (Conference Presentation)

NASA Astrophysics Data System (ADS)

Wang, Ning; Javadi, Hamid; Jarrahi, Mona

2017-02-01

Heterodyne terahertz spectrometers are highly in demand for space explorations and astrophysics studies. A conventional heterodyne terahertz spectrometer consists of a terahertz mixer that mixes a received terahertz signal with a local oscillator signal to generate an intermediate frequency signal in the radio frequency (RF) range, where it can be easily processed and detected by RF electronics. Schottky diode mixers, superconductor-insulator-superconductor (SIS) mixers and hot electron bolometer (HEB) mixers are the most commonly used mixers in conventional heterodyne terahertz spectrometers. While conventional heterodyne terahertz spectrometers offer high spectral resolution and high detection sensitivity levels at cryogenic temperatures, their dynamic range and bandwidth are limited by the low radiation power of existing terahertz local oscillators and narrow bandwidth of existing terahertz mixers. To address these limitations, we present a novel approach for heterodyne terahertz spectrometry based on plasmonic photomixing. The presented design replaces terahertz mixer and local oscillator of conventional heterodyne terahertz spectrometers with a plasmonic photomixer pumped by an optical local oscillator. The optical local oscillator consists of two wavelength-tunable continuous-wave optical sources with a terahertz frequency difference. As a result, the spectrometry bandwidth and dynamic range of the presented heterodyne spectrometer is not limited by radiation frequency and power restrictions of conventional terahertz sources. We demonstrate a proof-of-concept terahertz spectrometer with more than 90 dB dynamic range and 1 THz spectrometry bandwidth.

The Status of Multi-Dimensional Core-Collapse Supernova Models

NASA Astrophysics Data System (ADS)

Müller, B.

2016-09-01

Models of neutrino-driven core-collapse supernova explosions have matured considerably in recent years. Explosions of low-mass progenitors can routinely be simulated in 1D, 2D, and 3D. Nucleosynthesis calculations indicate that these supernovae could be contributors of some lighter neutron-rich elements beyond iron. The explosion mechanism of more massive stars remains under investigation, although first 3D models of neutrino-driven explosions employing multi-group neutrino transport have become available. Together with earlier 2D models and more simplified 3D simulations, these have elucidated the interplay between neutrino heating and hydrodynamic instabilities in the post-shock region that is essential for shock revival. However, some physical ingredients may still need to be added/improved before simulations can robustly explain supernova explosions over a wide range of progenitors. Solutions recently suggested in the literature include uncertainties in the neutrino rates, rotation, and seed perturbations from convective shell burning. We review the implications of 3D simulations of shell burning in supernova progenitors for the `perturbations-aided neutrino-driven mechanism,' whose efficacy is illustrated by the first successful multi-group neutrino hydrodynamics simulation of an 18 solar mass progenitor with 3D initial conditions. We conclude with speculations about the impact of 3D effects on the structure of massive stars through convective boundary mixing.

Linear Ion Traps in Space: The Mars Organic Molecule Analyzer (MOMA) Instrument and Beyond

NASA Astrophysics Data System (ADS)

Arevalo, Ricardo; Brinckerhoff, William; Mahaffy, Paul; van Amerom, Friso; Danell, Ryan; Pinnick, Veronica; Li, Xiang; Hovmand, Lars; Getty, Stephanie; Grubisic, Andrej; Goesmann, Fred; Cottin, Hervé

2015-11-01

Historically, quadrupole mass spectrometer (QMS) instruments have been used to explore a wide survey of planetary targets in our solar system, from Venus (Pioneer Venus) to Saturn (Cassini-Huygens). However, linear ion trap (LIT) mass spectrometers have found a niche as smaller, versatile alternatives to traditional quadrupole analyzers.The core astrobiological experiment of ESA’s ExoMars Program is the Mars Organic Molecule Analyzer (MOMA) onboard the ExoMars 2018 rover. The MOMA instrument is centered on a linear (or 2-D) ion trap mass spectrometer. As opposed to 3-D traps, LIT-based instruments accommodate two symmetrical ion injection pathways, enabling two complementary ion sources to be used. In the case of MOMA, these two analytical approaches are laser desorption mass spectrometry (LDMS) at Mars ambient pressures, and traditional gas chromatography mass spectrometry (GCMS). The LIT analyzer employed by MOMA also offers: higher ion capacity compared to a 3-D trap of the same volume; redundant detection subassemblies for extended lifetime; and, a link to heritage QMS designs and assembly logistics. The MOMA engineering test unit (ETU) has demonstrated the detection of organics in the presence of wt.%-levels of perchlorate, effective ion enhancement via stored waveform inverse Fourier transform (SWIFT), and derivation of structural information through tandem mass spectrometry (MS/MS).A more progressive linear ion trap mass spectrometer (LITMS), funded by the NASA ROSES MatISSE Program, is being developed at NASA GSFC and promises to augment the capabilities of the MOMA instrument by way of: an expanded mass range (i.e., 20 - 2000 Da); detection of both positive and negative ions; spatially resolved (<1 mm) characterization of individual rock core layers; and, evolved gas analysis and GCMS with pyrolysis up to 1300° C (enabling breakdown of refractory phases). The Advanced Resolution Organic Molecule Analyzer (AROMA) instrument, being developed through NASA PICASSO and ESA Research and Development Programs, combines a highly capable LIT front end (a la LITMS) with a high-resolution OrbitrapTM (a la CosmOrbitrap) mass analyzer to enable disambiguation of complex molecular signals in organic-rich targets.

A method for the retrieval of atomic oxygen density and temperature profiles from ground-based measurements of the O(+)(2D-2P) 7320 A twilight airglow

NASA Technical Reports Server (NTRS)

Fennelly, J. A.; Torr, D. G.; Richards, P. G.; Torr, M. R.; Sharp, W. E.

1991-01-01

This paper describes a technique for extracting thermospheric profiles of the atomic-oxygen density and temperature, using ground-based measurements of the O(+)(2D-2P) doublet at 7320 and 7330 A in the twilight airglow. In this method, a local photochemical model is used to calculate the 7320-A intensity; the method also utilizes an iterative inversion procedure based on the Levenberg-Marquardt method described by Press et al. (1986). The results demonstrate that, if the measurements are only limited by errors due to Poisson noise, the altitude profiles of neutral temperature and atomic oxygen concentration can be determined accurately using currently available spectrometers.

A small, sensitive, light-weight, and disposable aerosol spectrometer for balloon and UAV applications

NASA Astrophysics Data System (ADS)

Fahey, D. W.; Gao, R.; Thornberry, T. D.; Rollins, D. W.; Schwarz, J. P.; Perring, A. E.

2013-12-01

In-situ sampling with particle size spectrometers is an important method to provide detailed size spectra for atmospheric aerosol in the troposphere and stratosphere. The spectra are essential for understanding aerosol sources and aerosol chemical evolution and removal, and for aerosol remote sensing validation. These spectrometers are usually bulky, heavy, and expensive, thereby limiting their application to specific airborne platforms. Here we report a new type of small and light-weight optical aerosol particle size spectrometer that is sensitive enough for many aerosol applications yet is inexpensive enough to be disposable. 3D printing is used for producing structural components for simplicity and low cost. Weighing less than 1 kg individually, we expect these spectrometers can be deployed successfully on small unmanned aircraft systems (UASs) and up to 25 km on weather balloons. Immediate applications include the study of Arctic haze using the Manta UAS, detection of the Asian Tropopause Aerosol Layer in the Asian monsoon system and SAGE III validation onboard weather balloons.

Spectroscopic Instrumentation in Undergraduate Astronomy Laboratories

NASA Astrophysics Data System (ADS)

Ludovici, Dominic; Mutel, Robert Lucien; Lang, Cornelia C.

2017-01-01

We have designed and built two spectrographs for use in undergraduate astronomy laboratories at the University of Iowa. The first, a low cost (appx. $500) low resolution (R ~ 150 - 300) grating-prism (grism) spectrometer consists of five optical elements and is easily modified to other telescope optics. The grism spectrometer is designed to be used in a modified filter wheel. This type of spectrometer allows students to undertake projects requiring sensitive spectral measurements, such as determining the redshifts of quasars. The second instrument is a high resolution (R ~ 8000), moderate cost (appx. $5000) fiber fed echelle spectrometer. The echelle spectrometer will allow students to conduct Doppler measurements such as those used to study spectroscopic binaries. Both systems are designed to be used with robotic telescope systems. The availability of 3D printing enables both of these spectrographs to be constructed in hands-on instrumentation courses where students build and commission their own instruments. Additionally, these instruments enable introductory majors and non-majors laboratory students to gain experience conducting their own spectroscopic observations.

Two-dimensional sum-frequency generation (2D SFG) reveals structure and dynamics of a surface-bound peptide

PubMed Central

Laaser, Jennifer E.; Skoff, David R.; Ho, Jia-Jung; Joo, Yongho; Serrano, Arnaldo L.; Steinkruger, Jay D.; Gopalan, Padma; Gellman, Samuel H.; Zanni, Martin T.

2014-01-01

Surface-bound polypeptides and proteins are increasingly used to functionalize inorganic interfaces such as electrodes, but their structural characterization is exceedingly difficult with standard technologies. In this paper, we report the first two-dimensional sum-frequency generation (2D SFG) spectra of a peptide monolayer, which is collected by adding a mid-IR pulse shaper to a standard femtosecond SFG spectrometer. On a gold surface, standard FTIR spectroscopy is inconclusive about the peptide structure because of solvation-induced frequency shifts, but the 2D lineshapes, anharmonic shifts, and lifetimes obtained from 2D SFG reveal that the peptide is largely α-helical and upright. Random coil residues are also observed, which do not themselves appear in SFG spectra due to their isotropic structural distribution, but which still absorb infrared light and so can be detected by cross-peaks in 2D SFG spectra. We discuss these results in the context of peptide design. Because of the similar way in which the spectra are collected, these 2D SFG spectra can be directly compared to 2D IR spectra, thereby enabling structural interpretations of surface-bound peptides and biomolecules based on the well-studied structure/2D IR spectra relationships established from soluble proteins. PMID:24372101

LabVIEW control software for scanning micro-beam X-ray fluorescence spectrometer.

PubMed

Wrobel, Pawel; Czyzycki, Mateusz; Furman, Leszek; Kolasinski, Krzysztof; Lankosz, Marek; Mrenca, Alina; Samek, Lucyna; Wegrzynek, Dariusz

2012-05-15

Confocal micro-beam X-ray fluorescence microscope was constructed. The system was assembled from commercially available components - a low power X-ray tube source, polycapillary X-ray optics and silicon drift detector - controlled by an in-house developed LabVIEW software. A video camera coupled to optical microscope was utilized to display the area excited by X-ray beam. The camera image calibration and scan area definition software were also based entirely on LabVIEW code. Presently, the main area of application of the newly constructed spectrometer is 2-dimensional mapping of element distribution in environmental, biological and geological samples with micrometer spatial resolution. The hardware and the developed software can already handle volumetric 3-D confocal scans. In this work, a front panel graphical user interface as well as communication protocols between hardware components were described. Two applications of the spectrometer, to homogeneity testing of titanium layers and to imaging of various types of grains in air particulate matter collected on membrane filters, were presented. Copyright © 2012 Elsevier B.V. All rights reserved.

2H{ 19F} REDOR for distance measurements in biological solids using a double resonance spectrometer

NASA Astrophysics Data System (ADS)

Grage, Stephan L.; Watts, Jude A.; Watts, Anthony

2004-01-01

A new approach for distance measurements in biological solids employing 2H{ 19F} rotational echo double resonance was developed and validated on 2H, 19F- D-alanine and an imidazopyridine based inhibitor of the gastric H +/K +-ATPase. The 2H- 19F double resonance experiments presented here were performed without 1H decoupling using a double resonance NMR spectrometer. In this way, it was possible to benefit from the relatively longer distance range of fluorine without the need of specialized fluorine equipment. A distance of 2.5 ± 0.3 Å was measured in the alanine derivative, indicating a gauche conformation of the two labels. In the case of the imidazopyridine compound a lower distance limit of 5.2 Å was determined and is in agreement with an extended conformation of the inhibitor. Several REDOR variants were compared, and their advantages and limitations discussed. Composite fluorine dephasing pulses were found to enhance the frequency bandwidth significantly, and to reduce the dependence of the performance of the experiment on the exact choice of the transmitter frequency.

Imaging open-path Fourier transform infrared spectrometer for 3D cloud profiling

NASA Astrophysics Data System (ADS)

Rentz Dupuis, Julia; Mansur, David J.; Vaillancourt, Robert; Carlson, David; Evans, Thomas; Schundler, Elizabeth; Todd, Lori; Mottus, Kathleen

2009-05-01

OPTRA is developing an imaging open-path Fourier transform infrared (I-OP-FTIR) spectrometer for 3D profiling of chemical and biological agent simulant plumes released into test ranges and chambers. An array of I-OP-FTIR instruments positioned around the perimeter of the test site, in concert with advanced spectroscopic algorithms, enables real time tomographic reconstruction of the plume. The approach is intended as a referee measurement for test ranges and chambers. This Small Business Technology Transfer (STTR) effort combines the instrumentation and spectroscopic capabilities of OPTRA, Inc. with the computed tomographic expertise of the University of North Carolina, Chapel Hill.

Artifacts in time-resolved NUS: A case study of NOE build-up curves from 2D NOESY.

PubMed

Dass, Rupashree; Kasprzak, Paweł; Koźmiński, Wiktor; Kazimierczuk, Krzysztof

2016-04-01

Multidimensional NMR spectroscopy requires time-consuming sampling of indirect dimensions and so is usually used to study stable samples. However, dynamically changing compounds or their mixtures commonly occur in problems of natural science. Monitoring them requires the use multidimensional NMR in a time-resolved manner - in other words, a series of quick spectra must be acquired at different points in time. Among the many solutions that have been proposed to achieve this goal, time-resolved non-uniform sampling (TR-NUS) is one of the simplest. In a TR-NUS experiment, the signal is sampled using a shuffled random schedule and then divided into overlapping subsets. These subsets are then processed using one of the NUS reconstruction methods, for example compressed sensing (CS). The resulting stack of spectra forms a temporal "pseudo-dimension" that shows the changes caused by the process occurring in the sample. CS enables the use of small subsets of data, which minimizes the averaging of the effects studied. Yet, even within these limited timeframes, the sample undergoes certain changes. In this paper we discuss the effect of varying signal amplitude in a TR-NUS experiment. Our theoretical calculations show that the variations within the subsets lead to t1-noise, which is dependent on the rate of change of the signal amplitude. We verify these predictions experimentally. As a model case we choose a novel 2D TR-NOESY experiment in which mixing time is varied in parallel with shuffled NUS in the indirect dimension. The experiment, performed on a sample of strychnine, provides a near-continuous NOE build-up curve, whose shape closely reflects the t1-noise level. 2D TR-NOESY reduces the measurement time compared to the conventional approach and makes it possible to verify the theoretical predictions about signal variations during TR-NUS. Copyright © 2016 Elsevier Inc. All rights reserved.

The PedsQL Multidimensional Fatigue Scale in young adults: feasibility, reliability and validity in a University student population.

PubMed

Varni, James W; Limbers, Christine A

2008-02-01

The PedsQL (Pediatric Quality of Life Inventory) is a modular instrument designed to measure health-related quality of life (HRQOL) and disease-specific symptoms in children and adolescents ages 2-18. The PedsQL Multidimensional Fatigue Scale was designed as a generic symptom-specific instrument to measure fatigue in pediatric patients ages 2-18. Since a sizeable number of pediatric patients prefer to remain with their pediatric providers after age 18, the objective of the present study was to determine the feasibility, reliability, and validity of the PedsQL Multidimensional Fatigue Scale in young adults. The 18-item PedsQL Multidimensional Fatigue Scale (General Fatigue, Sleep/Rest Fatigue, and Cognitive Fatigue domains), the PedsQL 4.0 Generic Core Scales Young Adult Version, and the SF-8 Health Survey were completed by 423 university students ages 18-25. The PedsQL Multidimensional Fatigue Scale evidenced minimal missing responses, achieved excellent reliability for the Total Scale Score (alpha = 0.90), distinguished between healthy young adults and young adults with chronic health conditions, was significantly correlated with the relevant PedsQL 4.0 Generic Core Scales and the SF-8 standardized scores, and demonstrated a factor-derived structure largely consistent with the a priori conceptual model. The results demonstrate the measurement properties of the PedsQL Multidimensional Fatigue Scale in a convenience sample of young adult university students. The findings suggest that the PedsQL Multidimensional Fatigue Scale may be utilized in the evaluation of fatigue for a broad age range.

A search for narrow band signals with SERENDIP II: a progress report

NASA Technical Reports Server (NTRS)

Werthimer, D.; Brady, R.; Berezin, A.; Bowyer, S.

1988-01-01

Commensal programs for the Search for Extraterrestrial Intelligence (SETI), carried out concurrently with conventional radio astronomical observing programs, can be an attractive and cost-effective means of exploring the large multidimensional search space intrinsic to this effort. Our automated commensal system, SERENDIP II, is a high resolution 131,072 channel spectrometer. It searches for 0.49 Hz signals in sequential 64,700 Hz bands of the IF signal from a radio telescope being used for an astronomical observation. Upon detection of a narrow band signal with power above a preset threshold, the frequency, power, time, and telescope direction are recorded for later study. The system has been tested at the Hat Creek Radio Astronomy Observatory 85 ft telescope and the NASA-JPL Deep Space Station (DSS 14) 64 m telescope. It is currently collecting data at the National Radio Astronomy Observatory 300 ft telescope.

A search for narrow band signals with SERENDIP II: a progress report.

PubMed

Werthimer, D; Brady, R; Berezin, A; Bowyer, S

1988-01-01

Commensal programs for the Search for Extraterrestrial Intelligence (SETI), carried out concurrently with conventional radio astronomical observing programs, can be an attractive and cost-effective means of exploring the large multidimensional search space intrinsic to this effort. Our automated commensal system, SERENDIP II, is a high resolution 131,072 channel spectrometer. It searches for 0.49 Hz signals in sequential 64,700 Hz bands of the IF signal from a radio telescope being used for an astronomical observation. Upon detection of a narrow band signal with power above a preset threshold, the frequency, power, time, and telescope direction are recorded for later study. The system has been tested at the Hat Creek Radio Astronomy Observatory 85 ft telescope and the NASA-JPL Deep Space Station (DSS 14) 64 m telescope. It is currently collecting data at the National Radio Astronomy Observatory 300 ft telescope.

Advances in compact proton spectrometers for inertial-confinement fusion and plasma nuclear science.

PubMed

Seguin, F H; Sinenian, N; Rosenberg, M; Zylstra, A; Manuel, M J-E; Sio, H; Waugh, C; Rinderknecht, H G; Johnson, M Gatu; Frenje, J; Li, C K; Petrasso, R; Sangster, T C; Roberts, S

2012-10-01

Compact wedge-range-filter proton spectrometers cover proton energies ∼3-20 MeV. They have been used at the OMEGA laser facility for more than a decade for measuring spectra of primary D(3)He protons in D(3)He implosions, secondary D(3)He protons in DD implosions, and ablator protons in DT implosions; they are now being used also at the National Ignition Facility. The spectra are used to determine proton yields, shell areal density at shock-bang time and compression-bang time, fuel areal density, and implosion symmetry. There have been changes in fabrication and in analysis algorithms, resulting in a wider energy range, better accuracy and precision, and better robustness for survivability with indirect-drive inertial-confinement-fusion experiments.

2D/3D image charge for modeling field emission

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jensen, Kevin L.; Shiffler, Donald A.; Harris, John R.

Analytic image charge approximations exist for planar and spherical metal surfaces but approximations for more complex geometries, such as the conical and wirelike structures characteristic of field emitters, are lacking. Such models are the basis for the evaluation of Schottky lowering factors in equations for current density. The development of a multidimensional image charge approximation, useful for a general thermal-field emission equation used in space charge studies, is given and based on an analytical model using a prolate spheroidal geometry. A description of how the model may be adapted to be used with a line charge model appropriate for carbonmore » nanotube and carbon fiber field emitters is discussed. [http://dx.doi.org/10.1116/1.4968007]« less

2D/3D image charge for modeling field emission

DOE PAGES

Jensen, Kevin L.; Shiffler, Donald A.; Harris, John R.; ...

2017-03-01

Analytic image charge approximations exist for planar and spherical metal surfaces but approximations for more complex geometries, such as the conical and wirelike structures characteristic of field emitters, are lacking. Such models are the basis for the evaluation of Schottky lowering factors in equations for current density. The development of a multidimensional image charge approximation, useful for a general thermal-field emission equation used in space charge studies, is given and based on an analytical model using a prolate spheroidal geometry. A description of how the model may be adapted to be used with a line charge model appropriate for carbonmore » nanotube and carbon fiber field emitters is discussed. [http://dx.doi.org/10.1116/1.4968007]« less

Evaluating the Improvement in Shear Wave Speed Image Quality Using Multidimensional Directional Filters in the Presence of Reflection Artifacts.

PubMed

Lipman, Samantha L; Rouze, Ned C; Palmeri, Mark L; Nightingale, Kathryn R

2016-08-01

Shear waves propagating through interfaces where there is a change in stiffness cause reflected waves that can lead to artifacts in shear wave speed (SWS) reconstructions. Two-dimensional (2-D) directional filters are commonly used to reduce in-plane reflected waves; however, SWS artifacts arise from both in- and out-of-imaging-plane reflected waves. Herein, we introduce 3-D shear wave reconstruction methods as an extension of the previous 2-D estimation methods and quantify the reduction in image artifacts through the use of volumetric SWS monitoring and 4-D-directional filters. A Gaussian acoustic radiation force impulse excitation was simulated in phantoms with Young's modulus ( E ) of 3 kPa and a 5-mm spherical lesion with E = 6, 12, or 18.75 kPa. The 2-D-, 3-D-, and 4-D-directional filters were applied to the displacement profiles to reduce in-and out-of-plane reflected wave artifacts. Contrast-to-noise ratio and SWS bias within the lesion were calculated for each reconstructed SWS image to evaluate the image quality. For 2-D SWS image reconstructions, the 3-D-directional filters showed greater improvements in image quality than the 2-D filters, and the 4-D-directional filters showed marginal improvement over the 3-D filters. Although 4-D-directional filters can further reduce the impact of large magnitude out-of-plane reflection artifacts in SWS images, computational overhead and transducer costs to acquire 3-D data may outweigh the modest improvements in image quality. The 4-D-directional filters have the largest impact in reducing reflection artifacts in 3-D SWS volumes.

Interfacing an aspiration ion mobility spectrometer to a triple quadrupole mass spectrometer

DOE Office of Scientific and Technical Information (OSTI.GOV)

Adamov, Alexey; Viidanoja, Jyrki; Kaerpaenoja, Esko

2007-04-15

This article presents the combination of an aspiration-type ion mobility spectrometer with a mass spectrometer. The interface between the aspiration ion mobility spectrometer and the mass spectrometer was designed to allow for quick mounting of the aspiration ion mobility spectrometer onto a Sciex API-300 triple quadrupole mass spectrometer. The developed instrumentation is used for gathering fundamental information on aspiration ion mobility spectrometry. Performance of the instrument is demonstrated using 2,6-di-tert-butyl pyridine and dimethyl methylphosphonate.

Revealing determinants of two-phase dynamics of P53 network under gamma irradiation based on a reduced 2D relaxation oscillator model.

PubMed

Demirkıran, Gökhan; Kalaycı Demir, Güleser; Güzeliş, Cüneyt

2018-02-01

This study proposes a two-dimensional (2D) oscillator model of p53 network, which is derived via reducing the multidimensional two-phase dynamics model into a model of ataxia telangiectasia mutated (ATM) and Wip1 variables, and studies the impact of p53-regulators on cell fate decision. First, the authors identify a 6D core oscillator module, then reduce this module into a 2D oscillator model while preserving the qualitative behaviours. The introduced 2D model is shown to be an excitable relaxation oscillator. This oscillator provides a mechanism that leads diverse modes underpinning cell fate, each corresponding to a cell state. To investigate the effects of p53 inhibitors and the intrinsic time delay of Wip1 on the characteristics of oscillations, they introduce also a delay differential equation version of the 2D oscillator. They observe that the suppression of p53 inhibitors decreases the amplitudes of p53 oscillation, though the suppression increases the sustained level of p53. They identify Wip1 and P53DINP1 as possible targets for cancer therapies considering their impact on the oscillator, supported by biological findings. They model some mutations as critical changes of the phase space characteristics. Possible cancer therapeutic strategies are then proposed for preventing these mutations' effects using the phase space approach.

KENNEDY SPACE CENTER, FLA. - In the Payload Hazardous Servicing Facility, workers prepare to mate the Mars Exploration Rover-2 (MER-2) to the third stage of a Delta II rocket for launch on June 5. NASA’s twin Mars Exploration Rovers are designed to study the history of water on Mars. These robotic geologists are equipped with a robotic arm, a drilling tool, three spectrometers, and four pairs of cameras that allow them to have a human-like, 3D view of the terrain. Each rover could travel as far as 100 meters in one day to act as Mars scientists' eyes and hands, exploring an environment where humans can’t yet go. MER-1 (MER-B) will launch June 25.

NASA Image and Video Library

2003-05-23

KENNEDY SPACE CENTER, FLA. - In the Payload Hazardous Servicing Facility, workers prepare to mate the Mars Exploration Rover-2 (MER-2) to the third stage of a Delta II rocket for launch on June 5. NASA’s twin Mars Exploration Rovers are designed to study the history of water on Mars. These robotic geologists are equipped with a robotic arm, a drilling tool, three spectrometers, and four pairs of cameras that allow them to have a human-like, 3D view of the terrain. Each rover could travel as far as 100 meters in one day to act as Mars scientists' eyes and hands, exploring an environment where humans can’t yet go. MER-1 (MER-B) will launch June 25.

KENNEDY SPACE CENTER, FLA. - In the Payload Hazardous Servicing Facility, workers mate the Mars Exploration Rover-2 (MER-2) to the third stage of a Delta II rocket for launch on June 5. NASA’s twin Mars Exploration Rovers are designed to study the history of water on Mars. These robotic geologists are equipped with a robotic arm, a drilling tool, three spectrometers, and four pairs of cameras that allow them to have a human-like, 3D view of the terrain. Each rover could travel as far as 100 meters in one day to act as Mars scientists' eyes and hands, exploring an environment where humans can’t yet go. MER-1 (MER-B) will launch June 25.

NASA Image and Video Library

2003-05-23

KENNEDY SPACE CENTER, FLA. - In the Payload Hazardous Servicing Facility, workers mate the Mars Exploration Rover-2 (MER-2) to the third stage of a Delta II rocket for launch on June 5. NASA’s twin Mars Exploration Rovers are designed to study the history of water on Mars. These robotic geologists are equipped with a robotic arm, a drilling tool, three spectrometers, and four pairs of cameras that allow them to have a human-like, 3D view of the terrain. Each rover could travel as far as 100 meters in one day to act as Mars scientists' eyes and hands, exploring an environment where humans can’t yet go. MER-1 (MER-B) will launch June 25.

Corrigendum to ;On the computation of the multidimensional Mittag-Leffler function; [Commun. Nonlinear Sci. Numer. Simulat. 53 (2017) 278-287

NASA Astrophysics Data System (ADS)

Ortigueira, Manuel D.; Lopes, António M.; Machado, J. A. Tenreiro

2018-02-01

In the paper entitled "On the computation of the multidimensional Mittag-Leffler function" there is an error that originates some misleading nomenclature and results. The phrase in Section 2, page 2, three lines after equation (4), should be written as follows:

Rainbow peacock spiders inspire miniature super-iridescent optics.

PubMed

Hsiung, Bor-Kai; Siddique, Radwanul Hasan; Stavenga, Doekele G; Otto, Jürgen C; Allen, Michael C; Liu, Ying; Lu, Yong-Feng; Deheyn, Dimitri D; Shawkey, Matthew D; Blackledge, Todd A

2017-12-22

Colour produced by wavelength-dependent light scattering is a key component of visual communication in nature and acts particularly strongly in visual signalling by structurally-coloured animals during courtship. Two miniature peacock spiders (Maratus robinsoni and M. chrysomelas) court females using tiny structured scales (~ 40 × 10 μm 2 ) that reflect the full visual spectrum. Using TEM and optical modelling, we show that the spiders' scales have 2D nanogratings on microscale 3D convex surfaces with at least twice the resolving power of a conventional 2D diffraction grating of the same period. Whereas the long optical path lengths required for light-dispersive components to resolve individual wavelengths constrain current spectrometers to bulky sizes, our nano-3D printed prototypes demonstrate that the design principle of the peacock spiders' scales could inspire novel, miniature light-dispersive components.

Reaction mechanisms in the organometallic vapor phase epitaxial growth of GaAs

NASA Technical Reports Server (NTRS)

Larsen, C. A.; Buchan, N. I.; Stringfellow, G. B.

1988-01-01

The decomposition mechanisms of AsH3, trimethylgallium (TMGa), and mixtures of the two have been studied in an atmospheric-pressure flow system with the use of D2 to label the reaction products which are analyzed in a time-of-flight mass spectrometer. AsH3 decomposes entirely heterogeneously to give H2. TMGa decomposes by a series of gas-phase steps, involving methyl radicals and D atoms to produce CH3D, CH4, C2H6, and HD. TMGa decomposition is accelerated by the presence of AsH3. When the two are mixed, as in the organometallic vapor phase epitaxial growth of GaAs, both compounds decompose in concert to produce only CH4. A likely model is that of a Lewis acid-base adduct that forms and subsequently eliminates CH4.

Reaction mechanisms in the organometallic vapor phase epitaxial growth of GaAs

NASA Astrophysics Data System (ADS)

Larsen, C. A.; Buchan, N. I.; Stringfellow, G. B.

1988-02-01

The decomposition mechanisms of AsH3, trimethylgallium (TMGa), and mixtures of the two have been studied in an atmospheric-pressure flow system with the use of D2 to label the reaction products which are analyzed in a time-of-flight mass spectrometer. AsH3 decomposes entirely heterogeneously to give H2. TMGa decomposes by a series of gas-phase steps, involving methyl radicals and D atoms to produce CH3D, CH4, C2H6, and HD. TMGa decomposition is accelerated by the presence of AsH3. When the two are mixed, as in the organometallic vapor phase epitaxial growth of GaAs, both compounds decompose in concert to produce only CH4. A likely model is that of a Lewis acid-base adduct that forms and subsequently eliminates CH4.

The DMSP Space Weather Sensors Data Archive Listing (1982-2013) and File Formats Descriptions

DTIC Science & Technology

2014-08-01

environment sensors including the auroral particle spectrometer (SSJ), the fluxgate magnetometer (SSM), the topside thermal plasma monitor (SSIES... Fluxgate Magnetometer (SSM) for the Defense Meteorological Satellite Program (DMSP) Block 5D-2, Flight 7, Instrument Papers, AFGL-TR-84-0225; ADA155229...Flux) SSM The fluxgate magnetometer . (Special Sensor, Magnetometer ) SSULI The ultraviolet limb imager SSUSI The ultraviolet spectrographic imager

Noninvasive Electroencephalogram Based Control of a Robotic Arm for Writing Task Using Hybrid BCI System.

PubMed

Gao, Qiang; Dou, Lixiang; Belkacem, Abdelkader Nasreddine; Chen, Chao

2017-01-01

A novel hybrid brain-computer interface (BCI) based on the electroencephalogram (EEG) signal which consists of a motor imagery- (MI-) based online interactive brain-controlled switch, "teeth clenching" state detector, and a steady-state visual evoked potential- (SSVEP-) based BCI was proposed to provide multidimensional BCI control. MI-based BCI was used as single-pole double throw brain switch (SPDTBS). By combining the SPDTBS with 4-class SSEVP-based BCI, movement of robotic arm was controlled in three-dimensional (3D) space. In addition, muscle artifact (EMG) of "teeth clenching" condition recorded from EEG signal was detected and employed as interrupter, which can initialize the statement of SPDTBS. Real-time writing task was implemented to verify the reliability of the proposed noninvasive hybrid EEG-EMG-BCI. Eight subjects participated in this study and succeeded to manipulate a robotic arm in 3D space to write some English letters. The mean decoding accuracy of writing task was 0.93 ± 0.03. Four subjects achieved the optimal criteria of writing the word "HI" which is the minimum movement of robotic arm directions (15 steps). Other subjects had needed to take from 2 to 4 additional steps to finish the whole process. These results suggested that our proposed hybrid noninvasive EEG-EMG-BCI was robust and efficient for real-time multidimensional robotic arm control.

Noninvasive Electroencephalogram Based Control of a Robotic Arm for Writing Task Using Hybrid BCI System

PubMed Central

Gao, Qiang

2017-01-01

A novel hybrid brain-computer interface (BCI) based on the electroencephalogram (EEG) signal which consists of a motor imagery- (MI-) based online interactive brain-controlled switch, “teeth clenching” state detector, and a steady-state visual evoked potential- (SSVEP-) based BCI was proposed to provide multidimensional BCI control. MI-based BCI was used as single-pole double throw brain switch (SPDTBS). By combining the SPDTBS with 4-class SSEVP-based BCI, movement of robotic arm was controlled in three-dimensional (3D) space. In addition, muscle artifact (EMG) of “teeth clenching” condition recorded from EEG signal was detected and employed as interrupter, which can initialize the statement of SPDTBS. Real-time writing task was implemented to verify the reliability of the proposed noninvasive hybrid EEG-EMG-BCI. Eight subjects participated in this study and succeeded to manipulate a robotic arm in 3D space to write some English letters. The mean decoding accuracy of writing task was 0.93 ± 0.03. Four subjects achieved the optimal criteria of writing the word “HI” which is the minimum movement of robotic arm directions (15 steps). Other subjects had needed to take from 2 to 4 additional steps to finish the whole process. These results suggested that our proposed hybrid noninvasive EEG-EMG-BCI was robust and efficient for real-time multidimensional robotic arm control. PMID:28660211

On the Long-Term Calibration of the TOMS Total Ozone Record

NASA Technical Reports Server (NTRS)

Stolarski, Richard S.; McPeters, Richard; Labow, Gordon J.; Hollandsworth, Stacey; Flynn, Larry; Einaudi, Franco (Technical Monitor)

2000-01-01

Comparison of Total Ozone Mapping Spectrometer (TOMS) data to the network of ground-based Dobson/Brewer measurements reveals difference in the time dependence of the calibration of the two systems. We have been searching for a method to determine the time dependence of the TOMS calibrations that is independent of the Dobson/Brewer network. In a separate paper by DeLand et al., calibrations of the Solar Backscatter UV Spectrometer (SBUV) instruments have been rederived using the D-pair (306/313 nm wavelengths) data at the equator. These calibrations have been applied to the data from the Nimbus 7 SBUV and the NOAA 9 and 11 SBUV/2 data to derive a new version 7 data set for each instrument. We have used these data to do a detailed comparison to the Nimbus 7 and Earth Probe TOMS data. Assuming that the D-pair establishes the correct calibration, these comparisons reveal some small calibration drifts (approximately 1%) in the TOMS data. They also reveal an offset in the D-pair calibration with respect to the Dobson network of approximately 8 Dobson units with the Dobson being lower than the D-pair. The D-pair calibration offsets have been used to create a merged ozone data set from TOMS with a calibration that has been determined independent of the Dobson/Brewer network. Trend analyses of these data will be presented and compared to trend analyses using the ground-based data.

Reversible flexible structural changes in multidimensional MOFs by guest molecules (I{sub 2}, NH{sub 3}) and thermal stimulation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chen, Yang; Li, Libo; Yang, Jiangfeng

Three metal–organic frameworks (MOFs), [Cu(INA){sub 2}], [Cu(INA){sub 2}I{sub 2}] and [Cu(INA){sub 2}(H{sub 2}O){sub 2}(NH{sub 3}){sub 2}], were synthesized with 3D, 2D, and 0D structures, respectively. Reversible flexible structural changes of these MOFs were reported. Through high temperature (60–100 °C) stimulation of I{sub 2} or ambient temperature stimulation of NH{sub 3}, [Cu(INA){sub 2}] (3D) converted to [Cu(INA){sub 2}I{sub 2}] (2D) and [Cu(INA){sub 2}(H{sub 2}O){sub 2}(NH{sub 3}){sub 2}] (0D); as the temperature increased to 150 °C, the MOFs changed back to their original form. In this way, this 3D MOF has potential application in the capture of I{sub 2} and NH{sub 3}more » from polluted water and air. XRD, TGA, SEM, NH{sub 3}-TPD, and the measurement of gas adsorption were used to describe the changes in processes regarding the structure, morphology, and properties. - Graphical abstract: Through I{sub 2}, NH{sub 3} molecules and thermal stimulation, the three MOFs can achieve reversible flexible structural changes. Different methods were used to prove the flexible reversible changes. - Highlights: • [Cu(INA){sub 2}] can flexible transform to [Cu(INA){sub 2}I{sub 2}] and [Cu(INA){sub 2}(H{sub 2}O){sub 2}(NH{sub 3}){sub 2}] by adsorbing I{sub 2} or NH{sub 3}. • The reversible flexible transformation related to material source, temperature and concentration. • Potential applications for the capture of I{sub 2} and NH{sub 3} from polluted water or air.« less

Operation of a 500 MHz high temperature superconducting NMR: towards an NMR spectrometer operating beyond 1 GHz.

PubMed

Yanagisawa, Y; Nakagome, H; Tennmei, K; Hamada, M; Yoshikawa, M; Otsuka, A; Hosono, M; Kiyoshi, T; Takahashi, M; Yamazaki, T; Maeda, H

2010-04-01

We have begun a project to develop an NMR spectrometer that operates at frequencies beyond 1 GHz (magnetic field strength in excess of 23.5 T) using a high temperature superconductor (HTS) innermost coil. As the first step, we developed a 500 MHz NMR with a Bi-2223 HTS innermost coil, which was operated in external current mode. The temporal magnetic field change of the NMR magnet after the coil charge was dominated by (i) the field fluctuation due to a DC power supply and (ii) relaxation in the screening current in the HTS tape conductor; effect (i) was stabilized by the 2H field-frequency lock system, while effect (ii) decreased with time due to relaxation of the screening current induced in the HTS coil and reached 10(-8)(0.01 ppm)/h on the 20th day after the coil charge, which was as small as the persistent current mode of the NMR magnet. The 1D (1)H NMR spectra obtained by the 500 MHz LTS/HTS magnet were nearly equivalent to those obtained by the LTS NMR magnet. The 2D-NOESY, 3D-HNCO and 3D-HNCACB spectra were achieved for ubiquitin by the 500 MHz LTS/HTS magnet; their quality was closely equivalent to that achieved by a conventional LTS NMR. Based on the results of numerical simulation, the effects of screening current-induced magnetic field changes are predicted to be harmless for the 1.03 GHz NMR magnet system. 2010 Elsevier Inc. All rights reserved.

Field transportable beta spectrometer. Innovative technology summary report

DOE Office of Scientific and Technical Information (OSTI.GOV)

NONE

1998-12-01

The objective of the Large-Scale Demonstration Project (LSDP) is to select and demonstrate potentially beneficial technologies at the Argonne National Laboratory-East (ANL) Chicago Pile-5 Test Reactor (CP-5). The purpose of the LSDP is to demonstrate that by using innovative and improved deactivation and decommissioning (D and D) technologies from various sources, significant benefits can be achieved when compared to baseline D and D technologies. One such capability being addressed by the D and D Focus Area is rapid characterization for facility contaminants. The technology was field demonstrated during the period January 7 through January 9, 1997, and offers several potentialmore » benefits, including faster turn-around time, cost reduction, and reduction in secondary waste. This report describes a PC controlled, field-transportable beta counter-spectrometer which uses solid scintillation coincident counting and low-noise photomultiplier tubes to count element-selective filters and other solid media. The dry scintillation counter used in combination with an element-selective technology eliminates the mess and disposal costs of liquid scintillation cocktails. Software in the instrument provides real-time spectral analysis. The instrument can detect and measure Tc-99, Sr-90, and other beta emitters reaching detection limits in the 20 pCi range (with shielding). Full analysis can be achieved in 30 minutes. The potential advantages of a field-portable beta counter-spectrometer include the savings gained from field generated results. The basis for decision-making is provided with a rapid turnaround analysis in the field. This technology would be competitive with the radiometric analysis done in fixed laboratories and the associated chain of custody operations.« less

Semi-classical approach to compute RABBITT traces in multi-dimensional complex field distributions.

PubMed

Lucchini, M; Ludwig, A; Kasmi, L; Gallmann, L; Keller, U

2015-04-06

We present a semi-classical model to calculate RABBITT (Reconstruction of Attosecond Beating By Interference of Two-photon Transitions) traces in the presence of a reference infrared field with a complex two-dimensional (2D) spatial distribution. The evolution of the electron spectra as a function of the pump-probe delay is evaluated starting from the solution of the classical equation of motion and incorporating the quantum phase acquired by the electron during the interaction with the infrared field. The total response to an attosecond pulse train is then evaluated by a coherent sum of the contributions generated by each individual attosecond pulse in the train. The flexibility of this model makes it possible to calculate spectrograms from non-trivial 2D field distributions. After confirming the validity of the model in a simple 1D case, we extend the discussion to describe the probe-induced phase in photo-emission experiments on an ideal metallic surface.

Single-Scan Multidimensional NMR Analysis of Mixtures at Sub-Millimolar Concentrations by using SABRE Hyperpolarization.

PubMed

Daniele, Valeria; Legrand, François-Xavier; Berthault, Patrick; Dumez, Jean-Nicolas; Huber, Gaspard

2015-11-16

Signal amplification by reversible exchange (SABRE) is a promising method to increase the sensitivity of nuclear magnetic resonance (NMR) experiments. However, SABRE-enhanced (1)H NMR signals are short lived, and SABRE is often used to record 1D NMR spectra only. When the sample of interest is a complex mixture, this results in severe overlaps for (1)H spectra. In addition, the use of a co-substrate, whose signals may obscure the (1) H spectra, is currently the most efficient way to lower the detection limit of SABRE experiments. Here, we describe an approach to obtain clean, SABRE-hyperpolarized 2D (1)H NMR spectra of mixtures of small molecules at sub-millimolar concentrations in a single scan. The method relies on the use of para-hydrogen together with a deuterated co-substrate for hyperpolarization and ultrafast 2D NMR for acquisition. It is applicable to all substrates that can be polarized with SABRE. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Findings of the International Nosocomial Infection Control Consortium (INICC), Part I: Effectiveness of a multidimensional infection control approach on catheter-associated urinary tract infection rates in pediatric intensive care units of 6 developing countries.

PubMed

Rosenthal, Victor D; Ramachandran, Bala; Dueñas, Lourdes; Alvarez-Moreno, Carlos; Navoa-Ng, J A; Armas-Ruiz, Alberto; Ersoz, Gulden; Matta-Cortés, Lorena; Pawar, Mandakini; Nevzat-Yalcin, Ata; Rodríguez-Ferrer, Marena; Bran de Casares, Ana Concepción; Linares, Claudia; Villanueva, Victoria D; Campuzano, Roberto; Kaya, Ali; Rendon-Campo, Luis Fernando; Gupta, Amit; Turhan, Ozge; Barahona-Guzmán, Nayide; de Jesús-Machuca, Lilian; Tolentino, María Corazon V; Mena-Brito, Jorge; Kuyucu, Necdet; Astudillo, Yamileth; Saini, Narinder; Gunay, Nurgul; Sarmiento-Villa, Guillermo; Gumus, Eylul; Lagares-Guzmán, Alfredo; Dursun, Oguz

2012-07-01

A before-after prospective surveillance study to assess the impact of a multidimensional infection control approach for the reduction of catheter-associated urinary tract infection (CAUTI) rates. Pediatric intensive care units (PICUs) of hospital members of the International Nosocomial Infection Control Consortium (INICC) from 10 cities of the following 6 developing countries: Colombia, El Salvador, India, Mexico, Philippines, and Turkey. PICU inpatients. We performed a prospective active surveillance to determine rates of CAUTI among 3,877 patients hospitalized in 10 PICUs for a total of 27,345 bed-days. The study was divided into a baseline period (phase 1) and an intervention period (phase 2). In phase 1, surveillance was performed without the implementation of the multidimensional approach. In phase 2, we implemented a multidimensional infection control approach that included outcome surveillance, process surveillance, feedback on CAUTI rates, feedback on performance, education, and a bundle of preventive measures. The rates of CAUTI obtained in phase 1 were compared with the rates obtained in phase 2, after interventions were implemented. During the study period, we recorded 8,513 urinary catheter (UC) days, including 1,513 UC-days in phase 1 and 7,000 UC-days in phase 2. In phase 1, the CAUTI rate was 5.9 cases per 1,000 UC-days, and in phase 2, after implementing the multidimensional infection control approach for CAUTI prevention, the rate of CAUTI decreased to 2.6 cases per 1,000 UC-days (relative risk, 0.43 [95% confidence interval, 0.21-1.0]), indicating a rate reduction of 57%. Our findings demonstrated that implementing a multidimensional infection control approach is associated with a significant reduction in the CAUTI rate of PICUs in developing countries.

High-resolution X-ray spectroscopy of the supernova remnant N132D

NASA Technical Reports Server (NTRS)

Hwang, Una; Hughes, John P.; Canizares, Claude R.; Markert, Thomas H.

1993-01-01

A joint nonequilibrium ionization analysis of spectral data from the Einstein Observatory of the SNR N132D in the LMC is presented on the basis of data from the Focal Plane Crystal Spectrometer (FPCS) and the Solid State Spectrometer (SSS), and lower spectral resolution data from the IPC and the Monitor Proportional Counter (MPC). The FPCS detected individual emission lines of O VII, O VIII, Ne IX, Ne X, Fe XVII, and possibly Fe XX. Measured line widths for the oxygen lines suggest Doppler broadening that is roughly consistent with optically measured expansion velocities of 2250 km/s. At the SSS/IPC temperature, FPCS flux ratios constrain the O/Fe abundance to be at least 1.9 times its solar value and the O/Ne abundance to be 0.2-1.0 times its solar value. Models for remnants with progenitor masses of 20 and 25 solar masses are completely consistent with the data, while remnants with progenitor masses of 13 and 15 solar masses can be made consistent if the progenitors are required to eject a large fraction of their iron cores.

Accumulation of deuterium oxide in body fluids after ingestion of D/sub 2/O-labeled beverages

DOE Office of Scientific and Technical Information (OSTI.GOV)

Davis, J.M.; Lamb, D.R.; Burgess, W.A.

A simple low-cost procedure was developed to compare the temporal profiles of deuterium oxide (D/sub 2/O) accumulation in body fluids after ingestion of D/sub 2/O-labeled solutions. D/sub 2/O concentration was measured in plasma and saliva samples taken at various intervals after ingestion of 20 ml of D/sub 2/O mixed with five solutions differing in carbohydrate and electrolyte concentrations. An infrared spectrometer was used to measure D/sub 2/O in purified samples obtained after a 48-h incubation period during which the water (D/sub 2/O and H/sub 2/O) in the sample was equilibrated with an equal volume of distilled water in a sealedmore » diffusion dish. The procedure yields 100% recoveries of 60-500 ppm D/sub 2/O with an average precision of 5%. When compared with values for distilled water, D/sub 2/O accumulation in serial samples of plasma and saliva was slower for ingested solutions containing 40 and 15% glucose and faster for hypotonic saline and a 6% carbohydrate-electrolyte solution. These differences appear to reflect known differences in gastric emptying and intestinal absorption of these beverages. Therefore, this technique may provide a useful index of the rate of water uptake from ingested beverages into the body fluids.« less

On-line Monitoring of Continuous Flow Chemical Synthesis Using a Portable, Small Footprint Mass Spectrometer

NASA Astrophysics Data System (ADS)

Bristow, Tony W. T.; Ray, Andrew D.; O'Kearney-McMullan, Anne; Lim, Louise; McCullough, Bryan; Zammataro, Alessio

2014-10-01

For on-line monitoring of chemical reactions (batch or continuous flow), mass spectrometry (MS) can provide data to (1) determine the fate of starting materials and reagents, (2) confirm the presence of the desired product, (3) identify intermediates and impurities, (4) determine steady state conditions and point of completion, and (5) speed up process optimization. Recent developments in small footprint atmospheric pressure ionization portable mass spectrometers further enable this coupling, as the mass spectrometer can be easily positioned with the reaction system to be studied. A major issue for this combination is the transfer of a sample that is representative of the reaction and also compatible with the mass spectrometer. This is particularly challenging as high concentrations of reagents and products can be encountered in organic synthesis. The application of a portable mass spectrometer for on-line characterization of flow chemical synthesis has been evaluated by coupling a Microsaic 4000 MiD to the Future Chemistry Flow Start EVO chemistry system. Specifically, the Hofmann rearrangement has been studied using the on-line mass spectrometry approach. Sample transfer from the flow reactor is achieved using a mass rate attenuator (MRA) and a sampling make-up flow from a high pressure pump. This enables the appropriate sample dilution, transfer, and preparation for electrospray ionization. The capability of this approach to provide process understanding is described using an industrial pharmaceutical process that is currently under development. The effect of a number of key experimental parameters, such as the composition of the sampling make-up flow and the dilution factor on the mass spectrometry data, is also discussed.

Infrared spectra and tunneling dynamics of the N2-D2O and OC-D2O complexes in the v2 bend region of D2O.

PubMed

Zhu, Yu; Zheng, Rui; Li, Song; Yang, Yu; Duan, Chuanxi

2013-12-07

The rovibrational spectra of the N2-D2O and OC-D2O complexes in the v2 bend region of D2O have been measured in a supersonic slit jet expansion using a rapid-scan tunable diode laser spectrometer. Both a-type and b-type transitions were observed for these two complexes. All transitions are doubled, due to the heavy water tunneling within the complexes. Assuming the tunneling splittings are the same in K(a) = 0 and K(a) = 1, the band origins, all three rotational and several distortion constants of each tunneling state were determined for N2-D2O in the ground and excited vibrational states, and for OC-D2O in the excited vibrational state, respectively. The averaged band origin of OC-D2O is blueshifted by 2.241 cm(-1) from that of the v2 band of the D2O monomer, compared with 1.247 cm(-1) for N2-D2O. The tunneling splitting of N2-D2O in the ground state is 0.16359(28) cm(-1), which is about five times that of OC-D2O. The tunneling splittings decrease by about 26% for N2-D2O and 23% for OC-D2O, respectively, upon excitation of the D2O bending vibration, indicating an increase of the tunneling barrier in the excited vibrational state. The tunneling splittings are found to have a strong dependence on intramolecular vibrational excitation as well as a weak dependence on quantum number K(a).

Annual Progress Report for July 1, 1981 through June 30, 1982,

DTIC Science & Technology

1982-08-01

Online Search Service .....................93 14.5 Database Analyses ......................................... 0000093 14.6 Automatic Detection of...D. Dow, "Deformatio potentials of "uperlattices and Interfaces, L. at Vsaunm Sienc Ma Tchnolly. vol. 19, pp. $64-566, 1981. 4.17 3. D. Oberstar, No...cince, vol. 15, no. 3, pp. 311-320, Sept. 1981. 12.11 M. C. Loi, "Simulations among multidimensional Turing machines," Theoretilna Comanaz Sience (to

On the Analytical Superiority of 1D NMR for Fingerprinting the Higher Order Structure of Protein Therapeutics Compared to Multidimensional NMR Methods.

PubMed

Poppe, Leszek; Jordan, John B; Rogers, Gary; Schnier, Paul D

2015-06-02

An important aspect in the analytical characterization of protein therapeutics is the comprehensive characterization of higher order structure (HOS). Nuclear magnetic resonance (NMR) is arguably the most sensitive method for fingerprinting HOS of a protein in solution. Traditionally, (1)H-(15)N or (1)H-(13)C correlation spectra are used as a "structural fingerprint" of HOS. Here, we demonstrate that protein fingerprint by line shape enhancement (PROFILE), a 1D (1)H NMR spectroscopy fingerprinting approach, is superior to traditional two-dimensional methods using monoclonal antibody samples and a heavily glycosylated protein therapeutic (Epoetin Alfa). PROFILE generates a high resolution structural fingerprint of a therapeutic protein in a fraction of the time required for a 2D NMR experiment. The cross-correlation analysis of PROFILE spectra allows one to distinguish contributions from HOS vs protein heterogeneity, which is difficult to accomplish by 2D NMR. We demonstrate that the major analytical limitation of two-dimensional methods is poor selectivity, which renders these approaches problematic for the purpose of fingerprinting large biological macromolecules.

Vertical profiles of pollutant gases measured with passive DOAS in the Po Valley devoted to satellite and chemical model data comparison

NASA Astrophysics Data System (ADS)

Masieri, S.; Petritoli, A.; Kostadinov, I.; Bortoli, D.; Premuda, M.; Ravegnani, F.; Giovanelli, G.

2009-04-01

In the frame of QUITSAT Italian pilot project (Air QUality with InTegration of ground-based and SAtellite measurement and chemical Transport model), two field campaigns were made in S.Pietro Capofiume (44.65˚ N; 11.37˚ E) and Bologna (44.52˚ N; 11.34˚ E) to provide concentration of ground particular matter and gaseous pollutants, namely nitrogen dioxide (NO2), formaldehyde (HCHO), sulphur dioxide (SO2) and ozone (O3). The aim of the campaigns was to provide experimental data need for tests and improvement of algorithms developed for integration of satellite and ground-based data together with chemical transport model data in order to retrieve air quality in the QUITSAT domain. Ground based measurements were carried out within a network of in-situ analyser in the Po Valley and with a scanning multi-axis DOAS (Differential Optical Absorption Spectroscopy) spectrometer system developed at ISAC-CNR institute [1], in collaboration with Geophysics Center of Evora [2]. TropoGAS (TROPOspheric Gas Analyser Spectrometer) spectrometer permits active and passive DOAS measurements at the chosen angles: α =1,2,3,6,10,15,20,90 and another measurement was taken along the sun direction. A Xenon lamp installed at 1km of distance from spectrometer was used as a reference concentration measured in the same place, and these values shows good agreement with in-situ analyser concentration. Gas spectral absorption was evaluated with DOAS [3] algorithms from 430 to 500 nm in two different windows: first from 436 to 460 nm for NO2 retrieval; second from 460 to 500 nm for O4 (best line at 477 nm) and NO2. Air Mass Factor (AMF) was calculated using PROMSAR (PROcessing of Multi-Scattered Atmospheric Radiation) model [4], that is a backward Montecarlo Radiative Transfer Model (RTM). An apposite inversion method [5][6], was applied to retrieve profiles of the target gases from their Slant Column Densities (SCD), using advanced approaches involving measurement of the atmospheric O4 whose profile depends strongly on altitude [7][8]. Due to this it is also possible gain information about the atmospheric aerosol profile to set better the parameters in AMF Calculation, and then retrieve gas concentration's profiles. The NO2 concentrations measured were in the range of 0.5-25 ppb, as we expect for summer periods in rural area. GAMES (Gas Aerosol Modelling Evaluation System) model [9] was used in this work to have a reference about vertical distribution of gases (the model provides concentration profiles along 4km of altitude, with 11 growing thickness levels). Result of comparison with profile caculate by the model and profile calulate by the Multi-axis DOAS technique, is presented and then it is compared with Satellite column retrieved (with our satellite Data processor) from SCIAMACHY sensor (onboard on ENVISAT platform) and (directly NO2 Tropospheric Vertical Column provided by KNMI) from OMI (onboard on AURA platform). Good agreements between used series are shown and improvements for this methodology are discussed. One month of measurement has been taken in consideration starting from 15 May to 15 June of 2007. Vertical structure of most important trace gases calculated with model has strong correlation with the off-axis DOAS one (in some cases with R2=0,8), so better understanding of profiles and chemistry behaviour can be studied. The experience acquired within QUITSAT activity appears valuable contribution for enlargement of the DOAS applications what concern atmospheric chemistry studies, operative monitoring of the air quality over regional scale as well as satellite data validation. Deployed approaches are not restricted to NO2 but could be applied to other gases e.g. ozone, formaldehyde etc.. Key words: Off axis DOAS, NO2, CTM, AMF, gas profiles, satellite data validation, 1 2. BIBLIOGRAPHY [1] F. Evangelisti, A. Baroncelli, P. Bonasoni, G. Giovanelli, And F. Ravegnani, "Differential optical absorption spectrometer for measurement of tropospheric pollutants," Applied Optics, 34, pp. 2737-2744, 1995. [2] D. Bortoli, "SPATRAM - Spectrometer for ATmospheric TRAcers Measurements, a Prototype Equipment for the monitoring of minor compounds of the atmosphere," PhD dissertation, University of Evora, Evora, Portugal, 2005. [3] U. Platt, "Modern methods of the measurements of atmospheric trace gases," Phys. Chem., 1, pp. 5409-5415, 1999. [4] E. Palazzi, A. Petritoli, G. Giovanelli, I. Kostadinov, D. Bortoli, and F. Ravegnani, "PROMSAR: A multiple scattering atmospheric model for the analysis of DOAS remote sensing measurements," Adv. Space. Res., 36, pp. 1007-1014, 2005. [5] M. Chahine, "A general relaxation method for inverse solutionof the full radiative transfer equation," J. Atmos. Sci., 29, 4, pp. 741-747, 1972. [6] E. Palazzi, A. Petritoli, F. Ravegnani, I. Kostadinov, D. Bortoli, S. Masieri, M. Premuda, and G. Giovanelli, "Retrieval of Gas Pollutants Vertical Profile in the Boundary Layer by Means of Multiple Axis DOAS," IEEE Transaction on Geoscience and Remote Sensing. Vol. 46, pp. 2796-2802, 10.1109/TGRS.2008.2000927, 2008. [7] T. Wagner, B. Dix, C. von Friedeburg, U. Frieß, S. Sanghavi, R. Sinreich, and U. Platt, "MAX-DOAS O4 measurements: A new technique to derive information on atmospheric aerosols—Principles and information content," J. Geophys. Res., 109, D22205, doi:10.1029/2004JD004904, 2004. [8] A. Petritoli, Bonasoni P., Giovanelli G., Ravegnani F., Kostadinov I., Bortoli D., Weiss A., Schaub D., Richter A. and F. Fortezza, "First comparison between ground-based and satellite-borne measurements of tropospheric nitrogen dioxide in the Po basin," J. Geophys. Res., 109, D15307, doi: 10.1029/2004JD004547, 2004. [9] M. Volta, and G. Finzi, "GAMES, a comprehensive Gas Aerosol Modelling Evaluation System," Environ. Model. Software, 21, pp. 587-594, 2006.

KENNEDY SPACE CENTER, FLA. - In the foreground, three solid rocket boosters (SRBs) suspended in the launch tower flank the Delta II rocket (in the background) that will launch Mars Exploration Rover 2 (MER-2). NASA’s twin Mars Exploration Rovers are designed to study the history of water on Mars. These robotic geologists are equipped with a robotic arm, a drilling tool, three spectrometers, and four pairs of cameras that allow them to have a human-like, 3D view of the terrain. Each rover could travel as far as 100 meters in one day to act as Mars scientists' eyes and hands, exploring an environment where humans can’t yet go. MER-2 is scheduled to launch June 5 as MER-A. MER-1 (MER-B) will launch June 25.

NASA Image and Video Library

2003-05-15

KENNEDY SPACE CENTER, FLA. - In the foreground, three solid rocket boosters (SRBs) suspended in the launch tower flank the Delta II rocket (in the background) that will launch Mars Exploration Rover 2 (MER-2). NASA’s twin Mars Exploration Rovers are designed to study the history of water on Mars. These robotic geologists are equipped with a robotic arm, a drilling tool, three spectrometers, and four pairs of cameras that allow them to have a human-like, 3D view of the terrain. Each rover could travel as far as 100 meters in one day to act as Mars scientists' eyes and hands, exploring an environment where humans can’t yet go. MER-2 is scheduled to launch June 5 as MER-A. MER-1 (MER-B) will launch June 25.

Total ozone series at Arosa (Switzerland): Homogenization and data comparison

NASA Astrophysics Data System (ADS)

Staehelin, Johannes; Renaud, Anne; Bader, Jürg; McPeters, Richard; Viatte, Pierre; Hoegger, Bruno; Bugnion, Veronique; Giroud, Marianne; Schill, Herbert

1998-03-01

Five Dobson and two Brewer spectrophotometers were used for total ozone observations at Arosa, beginning in 1926 and providing the world's longest series. In this paper we present the results of our attempts to provide a homogeneous series and discuss the data quality problems of the record. From the mid-1950s to 1992, Dobson instrument D15 was calibrated by the statistical Langley plot method. In 1986 the calibration of another Dobson spectrometer at Arosa (D101) was changed by the intercomparison with the primary world Dobson instrument (D83). A statistical model based on simultaneous measurements of D101 and D15 of the period from 1987 to 1990 was used to obtain a total ozone series in line with the primary Dobson spectrophotometer, including a correction for an optical disalignment problem of D15. The series of Dl0l from 1990 to 1995 was corrected on the basis of data from the Dobson intercomparisons of 1990 and 1995 and comparisons with other total ozone measurements of Brewer and Dobson spectrophotometers at Arosa. A transfer function between Dobson and Brewer spectrophotometric measurements of Arosa is presented, and total ozone measurements of Arosa are compared with version 7 daily overpass data of the satellite instrument the total ozone mapping spectrometer (TOMS) which operated on board Nimbus 7 from autumn 1978 to spring 1993. Available information allowing us to track back the total ozone measurements of Arosa to the measurements of the primary Dobson spectrometer reveal that the total ozone series of Arosa fluctuated no more than approximately 1% against D83 in the period from 1978 to 1995. Average shift of Arosa total ozone data against the TOMS instrument was -1.12 (±0.1)% over the lifetime of the TOMS instrument.

U.S. Geological Survey: A synopsis of Three-dimensional Modeling

USGS Publications Warehouse

Jacobsen, Linda J.; Glynn, Pierre D.; Phelps, Geoff A.; Orndorff, Randall C.; Bawden, Gerald W.; Grauch, V.J.S.

2011-01-01

The U.S. Geological Survey (USGS) is a multidisciplinary agency that provides assessments of natural resources (geological, hydrological, biological), the disturbances that affect those resources, and the disturbances that affect the built environment, natural landscapes, and human society. Until now, USGS map products have been generated and distributed primarily as 2-D maps, occasionally providing cross sections or overlays, but rarely allowing the ability to characterize and understand 3-D systems, how they change over time (4-D), and how they interact. And yet, technological advances in monitoring natural resources and the environment, the ever-increasing diversity of information needed for holistic assessments, and the intrinsic 3-D/4-D nature of the information obtained increases our need to generate, verify, analyze, interpret, confirm, store, and distribute its scientific information and products using 3-D/4-D visualization, analysis, modeling tools, and information frameworks. Today, USGS scientists use 3-D/4-D tools to (1) visualize and interpret geological information, (2) verify the data, and (3) verify their interpretations and models. 3-D/4-D visualization can be a powerful quality control tool in the analysis of large, multidimensional data sets. USGS scientists use 3-D/4-D technology for 3-D surface (i.e., 2.5-D) visualization as well as for 3-D volumetric analyses. Examples of geological mapping in 3-D include characterization of the subsurface for resource assessments, such as aquifer characterization in the central United States, and for input into process models, such as seismic hazards in the western United States.

Observations in the Saturn system during approach and orbital insertion, with Cassini's visual and infrared mapping spectrometer (VIMS)

USGS Publications Warehouse

Brown, R.H.; Baines, K.H.; Bellucci, G.; Buratti, B.J.; Capaccioni, F.; Cerroni, P.; Clark, R.N.; Coradini, A.; Cruikshank, D.P.; Drossart, P.; Formisano, V.; Jaumann, R.; Langevin, Y.; Matson, D.L.; McCord, T.B.; Mennella, V.; Nelson, R.M.; Nicholson, P.D.; Sicardy, B.; Sotin, Christophe; Baugh, N.; Griffith, C.A.; Hansen, G.B.; Hibbitts, C.A.; Momary, T.W.; Showalter, M.R.

2006-01-01

The Visual and Infrared Mapping Spectrometer observed Phoebe, Iapetus, Titan and Saturn's rings during Cassini's approach and orbital insertion. Phoebe's surface contains water ice, CO2, and ferrous iron. lapetus contains CO2 and organic materials. Titan's atmosphere shows methane fluorescence, and night-side atmospheric emission that may be CO2 and CH3D. As determined from cloud motions, the winds at altitude 25-30 km in the south polar region of Titan appear to be moving in a prograde direction at velocity ???1 m s-1. Circular albedo features on Titan's surface, seen at 2.02 ??m, may be palimpsests remaining from the rheological adjustment of ancient impact craters. As such, their long-term persistence is of special interest in view of the expected precipitation of liquids and solids from the atmosphere. Saturn's rings have changed little in their radial structure since the Voyager flybys in the early 1980s. Spectral absorption bands tentatively attributed to Fe2+ suggest that iron-bearing silicates are a source of contamination of the C ring and the Cassini Division. ?? ESO 2006.

Physical Modeling for Processing Geosynchronous Imaging Fourier Transform Spectrometer-Indian Ocean METOC Imager (GIFTS-IOMI) Hyperspectral Data

DTIC Science & Technology

2002-09-30

Physical Modeling for Processing Geosynchronous Imaging Fourier Transform Spectrometer-Indian Ocean METOC Imager ( GIFTS -IOMI) Hyperspectral Data...water quality assessment. OBJECTIVES The objective of this DoD research effort is to develop and demonstrate a fully functional GIFTS - IOMI...environment once GIFTS -IOMI is stationed over the Indian Ocean. The system will provide specialized methods for the characterization of the atmospheric

A New Control System Software for SANS BATAN Spectrometer in Serpong, Indonesia

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bharoto; Putra, Edy Giri Rachman

2010-06-22

The original main control system of the 36 meter small-angle neutron scattering (SANS) BATAN Spectrometer (SMARTer) has been replaced with the new ones due to the malfunction of the main computer. For that reason, a new control system software for handling all the control systems was also developed in order to put the spectrometer back in operation. The developed software is able to control the system such as rotation movement of six pinholes system, vertical movement of four neutron guide system with the total length of 16.5 m, two-directional movement of a neutron beam stopper, forward-backward movement of a 2Dmore » position sensitive detector (2D-PSD) along 16.7 m, etc. A Visual Basic language program running on Windows operating system was employed to develop the software and it can be operated by other remote computers in the local area network. All device positions and command menu are displayed graphically in the main monitor or window and each device control can be executed by clicking the control button. Those advantages are necessary required for developing a new user-friendly control system software. Finally, the new software has been tested for handling a complete SANS experiment and it works properly.« less

Color space distortions in patients with type 2 diabetes mellitus.

PubMed

Feitosa-Santana, Claudia; Oiwa, Nestor N; Paramei, Galina V; Bimler, David; Costa, Marcelo F; Lago, Marcos; Nishi, Mauro; Ventura, Dora F

2006-01-01

Color vision impairment was examined in patients with type 2 diabetes mellitus (DM2) without retinopathy. We assessed the type and degree of distortions of individual color spaces. DM2 patients (n = 32), and age-matched controls (n = 20) were tested using the Farnsworth D-15 and the Lanthony D-15d tests. In addition, subsets of caps from both tests were employed in a triadic procedure (Bimler & Kirkland, 2004). Matrices of inter-cap subjective dissimilarities were estimated from each subject's "odd-one-out" choices, and processed using non-metric multidimensional scaling. Two-dimensional color spaces, individual and group (DM2 patients; controls), were reconstructed, with the axes interpreted as the R/G and B/Y perceptual opponent systems. Compared to controls, patient results were not significant for the D-15 and D-15d. In contrast, in the triadic procedure the residual distances were significantly different compared to controls: right eye, P = 0.021, and left eye, P = 0.022. Color space configurations for the DM2 patients were compressed along the B/Y and R/G dimensions. The present findings agree with earlier studies demonstrating diffuse losses in early stages of DM2. The proposed method of testing uses color spaces to represent discrimination and provides more differentiated quantitative diagnosis, which may be interpreted as the perceptual color system affected. In addition, it enables the detection of very mild color vision impairment that is not captured by the D-15d test. Along with fundoscopy, individual color spaces may serve for monitoring early functional changes and thereby to support a treatment strategy.

SAGE - MULTIDIMENSIONAL SELF-ADAPTIVE GRID CODE

NASA Technical Reports Server (NTRS)

Davies, C. B.

1994-01-01

SAGE, Self Adaptive Grid codE, is a flexible tool for adapting and restructuring both 2D and 3D grids. Solution-adaptive grid methods are useful tools for efficient and accurate flow predictions. In supersonic and hypersonic flows, strong gradient regions such as shocks, contact discontinuities, shear layers, etc., require careful distribution of grid points to minimize grid error and produce accurate flow-field predictions. SAGE helps the user obtain more accurate solutions by intelligently redistributing (i.e. adapting) the original grid points based on an initial or interim flow-field solution. The user then computes a new solution using the adapted grid as input to the flow solver. The adaptive-grid methodology poses the problem in an algebraic, unidirectional manner for multi-dimensional adaptations. The procedure is analogous to applying tension and torsion spring forces proportional to the local flow gradient at every grid point and finding the equilibrium position of the resulting system of grid points. The multi-dimensional problem of grid adaption is split into a series of one-dimensional problems along the computational coordinate lines. The reduced one dimensional problem then requires a tridiagonal solver to find the location of grid points along a coordinate line. Multi-directional adaption is achieved by the sequential application of the method in each coordinate direction. The tension forces direct the redistribution of points to the strong gradient region. To maintain smoothness and a measure of orthogonality of grid lines, torsional forces are introduced that relate information between the family of lines adjacent to one another. The smoothness and orthogonality constraints are direction-dependent, since they relate only the coordinate lines that are being adapted to the neighboring lines that have already been adapted. Therefore the solutions are non-unique and depend on the order and direction of adaption. Non-uniqueness of the adapted grid is acceptable since it makes possible an overall and local error reduction through grid redistribution. SAGE includes the ability to modify the adaption techniques in boundary regions, which substantially improves the flexibility of the adaptive scheme. The vectorial approach used in the analysis also provides flexibility. The user has complete choice of adaption direction and order of sequential adaptions without concern for the computational data structure. Multiple passes are available with no restraint on stepping directions; for each adaptive pass the user can choose a completely new set of adaptive parameters. This facility, combined with the capability of edge boundary control, enables the code to individually adapt multi-dimensional multiple grids. Zonal grids can be adapted while maintaining continuity along the common boundaries. For patched grids, the multiple-pass capability enables complete adaption. SAGE is written in FORTRAN 77 and is intended to be machine independent; however, it requires a FORTRAN compiler which supports NAMELIST input. It has been successfully implemented on Sun series computers, SGI IRIS's, DEC MicroVAX computers, HP series computers, the Cray YMP, and IBM PC compatibles. Source code is provided, but no sample input and output files are provided. The code reads three datafiles: one that contains the initial grid coordinates (x,y,z), one that contains corresponding flow-field variables, and one that contains the user control parameters. It is assumed that the first two datasets are formatted as defined in the plotting software package PLOT3D. Several machine versions of PLOT3D are available from COSMIC. The amount of main memory is dependent on the size of the matrix. The standard distribution medium for SAGE is a 5.25 inch 360K MS-DOS format diskette. It is also available on a .25 inch streaming magnetic tape cartridge in UNIX tar format or on a 9-track 1600 BPI ASCII CARD IMAGE format magnetic tape. SAGE was developed in 1989, first released as a 2D version in 1991 and updated to 3D in 1993.

EXTENDED ANALYSIS OF THE SPECTRUM OF SINGLY IONIZED CHROMIUM (Cr II)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sansonetti, Craig J.; Nave, Gillian

2014-08-01

We have made new observations of the spectrum of singly ionized chromium (Cr II) in the region 2850-37900 Å with the National Institute of Standards and Technology 2 m Fourier transform spectrometer. These data extend our previously reported observations in the near-ultra-violet region. We present a comprehensive list of more than 5300 Cr II lines classified as transitions among 456 even and 457 odd levels, 179 of which are newly located in this work. Using highly excited levels of the 3d {sup 4}({sup 5} D)5g, 3d {sup 4}({sup 5} D)6g, and 3d {sup 4}({sup 5}D)6h configurations, we derive an improvedmore » ionization energy of 132971.02 ± 0.12 cm{sup –1} (16.486305 ± 0.000015 eV)« less

Multidimensional scaling of D15 caps: color-vision defects among tobacco smokers?

PubMed

Bimler, David; Kirkland, John

2004-01-01

Tobacco smoke contains a range of toxins including carbon monoxide and cyanide. With specialized cells and high metabolic demands, the optic nerve and retina are vulnerable to toxic exposure. We examined the possible effects of smoking on color vision: specifically, whether smokers perceive a different pattern of suprathreshold color dissimilarities from nonsmokers. It is already known that smokers differ in threshold color discrimination, with elevated scores on the Roth 28-Hue Desaturated panel test. Groups of smokers and nonsmokers, matched for sex and age, followed a triadic procedure to compare dissimilarities among 32 pigmented stimuli (the caps of the saturated and desaturated versions of the D15 panel test). Multidimensional scaling was applied to quantify individual variations in the salience of the axes of color space. Despite the briefness, simplicity, and "low-tech" nature of the procedure, subtle but statistically significant differences did emerge: on average the smoking group were significantly less sensitive to red-green differences. This is consistent with some form of injury to the optic nerve.

The Earth is flat when personally significant experiences with the sphericity of the Earth are absent.

PubMed

Carbon, Claus-Christian

2010-07-01

Participants with personal and without personal experiences with the Earth as a sphere estimated large-scale distances between six cities located on different continents. Cognitive distances were submitted to a specific multidimensional scaling algorithm in the 3D Euclidean space with the constraint that all cities had to lie on the same sphere. A simulation was run that calculated respective 3D configurations of the city positions for a wide range of radii of the proposed sphere. People who had personally experienced the Earth as a sphere, at least once in their lifetime, showed a clear optimal solution of the multidimensional scaling (MDS) routine with a mean radius deviating only 8% from the actual radius of the Earth. In contrast, the calculated configurations for people without any personal experience with the Earth as a sphere were compatible with a cognitive concept of a flat Earth. 2010 Elsevier B.V. All rights reserved.

ITQ-54: a multi-dimensional extra-large pore zeolite with 20 × 14 × 12-ring channels

DOE PAGES

Jiang, Jiuxing; Yun, Yifeng; Zou, Xiaodong; ...

2015-01-01

A multi-dimensional extra-large pore silicogermanate zeolite, named ITQ-54, has been synthesised by in situ decomposition of the N,N-dicyclohexylisoindolinium cation into the N-cyclohexylisoindolinium cation. Its structure was solved by 3D rotation electron diffraction (RED) from crystals of ca. 1 μm in size. The structure of ITQ-54 contains straight intersecting 20 × 14 × 12-ring channels along the three crystallographic axes and it is one of the few zeolites with extra-large channels in more than one direction. ITQ-54 has a framework density of 11.1 T atoms per 1000 Å 3, which is one of the lowest among the known zeolites. ITQ-54 wasmore » obtained together with GeO 2 as an impurity. A heavy liquid separation method was developed and successfully applied to remove this impurity from the zeolite. ITQ-54 is stable up to 600 °C and exhibits permanent porosity. The structure was further refined using powder X-ray diffraction (PXRD) data for both as-made and calcined samples.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Harris, J. Austin; Hix, W. Raphael; Chertkow, Merek A.

In this paper, we investigate core-collapse supernova (CCSN) nucleosynthesis with self-consistent, axisymmetric (2D) simulations performed using the neutrino hydrodynamics code Chimera. Computational costs have traditionally constrained the evolution of the nuclear composition within multidimensional CCSN models to, at best, a 14-species α-network capable of tracking onlymore » $$(\\alpha ,\\gamma )$$ reactions from 4He to 60Zn. Such a simplified network limits the ability to accurately evolve detailed composition and neutronization or calculate the nuclear energy generation rate. Lagrangian tracer particles are commonly used to extend the nuclear network evolution by incorporating more realistic networks into post-processing nucleosynthesis calculations. However, limitations such as poor spatial resolution of the tracer particles; inconsistent thermodynamic evolution, including misestimation of expansion timescales; and uncertain determination of the multidimensional mass cut at the end of the simulation impose uncertainties inherent to this approach. Finally, we present a detailed analysis of the impact of such uncertainties for four self-consistent axisymmetric CCSN models initiated from solar-metallicity, nonrotating progenitors of 12, 15, 20, and 25 $${M}_{\\odot }$$ and evolved with the smaller α-network to more than 1 s after the launch of an explosion.« less