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Sample records for okee ada ir

  1. Parallel programming with Ada

    SciTech Connect (OSTI)

    Kok, J.

    1988-01-01

    To the human programmer the ease of coding distributed computing is highly dependent on the suitability of the employed programming language. But with a particular language it is also important whether the possibilities of one or more parallel architectures can efficiently be addressed by available language constructs. In this paper the possibilities are discussed of the high-level language Ada and in particular of its tasking concept as a descriptional tool for the design and implementation of numerical and other algorithms that allow execution of parts in parallel. Language tools are explained and their use for common applications is shown. Conclusions are drawn about the usefulness of several Ada concepts.

  2. ADA Requirements for Workplace Charging Installation | Department...

    Broader source: Energy.gov (indexed) [DOE]

    ADA Requirements for Workplace Charging Installation More Documents & Publications Richmond Electric Vehicle Initiative Electric Vehicle Readiness Plan Workplace Charging...

  3. with Disabilities Act Requirements Workplace ADA Requirements...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Americans with Disabilities Act (ADA) is a federal civil rights law that prohibits discrimination in public places against individuals with disabilities. As an employer installing...

  4. ADA Requirements for Workplace Charging Installation | Department...

    Broader source: Energy.gov (indexed) [DOE]

    This Guidance provides best practices, special design guidelines and requirements for installing plug-in electric vehicle charging stations in compliance with ADA. When designing ...

  5. Venkatraman Ramakrishnan, Thomas A. Steitz, Ada E. Yonath, and...

    Office of Scientific and Technical Information (OSTI)

    Venkatraman Ramakrishnan, Thomas A. Steitz, Ada E. Yonath, and Ribosome Resources with Additional Information V. Ramakrishnan Thomas A. Steitz Ada E. Yonath Venkatraman ...

  6. Ada Yonath: Another Pioneering Woman in Science

    Office of Energy Efficiency and Renewable Energy (EERE)

    In honor of Women's History Month, we're highlighting Ada Yonath, whose studies of the structure and function of the ribosome won her a Nobel Prize in Chemistry in 2009.

  7. Ada County, Idaho: Energy Resources | Open Energy Information

    Open Energy Info (EERE)

    Energy Efficiency Research Institute Registered Energy Companies in Ada County, Idaho Hyperion Energy Inovus M2E Power Inc Micron Technology Inc SemiLEDs SmartDwell Sunergy World...

  8. Venkatraman Ramakrishnan, Thomas A. Steitz, Ada E. Yonath, and...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    At Argonne, 'two separate groups resolved the structure of the small (30S) subunit at atomic-scale resolution. Ada Yonath led a group from the Weizmann Institute in Israel and the ...

  9. Hydraulic Capacity of an ADA Compliant Street Drain Grate

    SciTech Connect (OSTI)

    Lottes, Steven A.; Bojanowski, Cezary

    2015-09-01

    Resurfacing of urban roads with concurrent repairs and replacement of sections of curb and sidewalk may require pedestrian ramps that are compliant with the American Disabilities Act (ADA), and when street drains are in close proximity to the walkway, ADA compliant street grates may also be required. The Minnesota Department of Transportation ADA Operations Unit identified a foundry with an available grate that meets ADA requirements. Argonne National Laboratory’s Transportation Research and Analysis Computing Center used full scale three dimensional computational fluid dynamics to determine the performance of the ADA compliant grate and compared it to that of a standard vane grate. Analysis of a parametric set of cases was carried out, including variation in longitudinal, gutter, and cross street slopes and the water spread from the curb. The performance of the grates was characterized by the fraction of the total volume flow approaching the grate from the upstream that was captured by the grate and diverted into the catch basin. The fraction of the total flow entering over the grate from the side and the fraction of flow directly over a grate diverted into the catch basin were also quantities of interest that aid in understanding the differences in performance of the grates. The ADA compliant grate performance lagged that of the vane grate, increasingly so as upstream Reynolds number increased. The major factor leading to the performance difference between the two grates was the fraction of flow directly over the grates that is captured by the grates.

  10. Hf-irJ

    Office of Legacy Management (LM)

    Hf-irJ jnj,4 States Governmen Department of Energy Inemorandum DOTE: DAY o 1S5a . 7 EPY TO F . O 0 NE-24 SUJEC': Authorization for Remedial Action of Residential Vicinity ...

  11. I\r'

    Office of Legacy Management (LM)

    r' ( g-.] ic' fz .; w .fl ! : L ' ..j : i ?- z -2"" . 2,-3X-~ Aw23-t 11, 1949 J c. s. ?.%omic ?zaru ccm3ission 7-t i-~n,~-;ra-& 3&-p.Cz' ;"ica P. ' 3. 30x 3 Eacsrs 17, lIaw York :. , ::; /. 1 httetii OP J xl-. P, 3. 2gp C+~t~Sil;lsXl t ?~~$Tly~lf .t: GA.3 L?wjpnaJiQn Of p-3&7:2-Liop 9.0";:7~+50 s' , -ir ,.,,3 iashlla+im it i3 our da3irs 20 be rslia-T.73 of _"\L:t&?T --:wzk&ili* of the SC1298 ' _ _ Zj31Wf end i~i3sio~~31.3 rsskeri31ii izxLi.c~~t&

  12. An expert system for automating security incident assessment using OPS5 in an Ada environment

    SciTech Connect (OSTI)

    Canales, T.W.; Smart, J.C.

    1988-01-29

    An expert system that automatically assesses security incidents is being developed at Lawrence Livermore National Laboratory. The expert system associates, classifies, and prioritizes monitored sensor events. The outcome of these processes is a dynamic representation of the state of Laboratory security in the form of security ''incidents''. A graphical representation of the incidents is integrated into a map-oriented console monitor that provides the operator with a comprehensive view of incidents and their locations. A prototype expert system has been developed using the OPS5 rule-based language. A large Ada-based program provides control of the map display system and interfaces to the various monitoring and access-control devices. In addition to the expert system operation, the issues and methods involved in integrating the OPS5-based incident-assessment system to the large Ada-based control program are discussed. 7 refs., 7 figs.

  13. IR Spot Weld Inspect

    Energy Science and Technology Software Center (OSTI)

    2014-01-01

    In automotive industry, destructive inspection of spot welds is still the mandatory quality assurance method due to the lack of efficient non-destructive evaluation (NDE) tools. However, it is costly and time-consuming. Recently at ORNL, a new NDE prototype system for spot weld inspection using infrared (IR) thermography has been developed to address this problem. This software contains all the key functions that ensure the NDE system to work properly: system input/output control, image acquisition, datamore » analysis, weld quality database generation and weld quality prediction, etc.« less

  14. ARM - Datastreams - goes7ir

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    ir Documentation XDC documentation Data Quality Plots ARM Data Discovery Browse Data Comments? We would love to hear from you! Send us a note below or call us at 1-888-ARM-DATA. Send Datastream : GOES7IR GOES-7: infrared, channels 7, 10, 12

  15. IR-2003- | Department of Energy

    Energy Savers [EERE]

    IR-2003- (20.04 KB) More Documents & Publications Fact Sheet: Clean Coal Technology Ushers In New Era in Energy Fact Sheet: Clean Coal Technology Ushers In New Era in Energy ...

  16. Theoretical studies of Ir5Th and Ir5Ce nanoscale precipitates in Ir

    SciTech Connect (OSTI)

    Morris, James R; Averill, Frank; Cooper, Valentino R

    2014-01-01

    Experimentally, it is known that very small amounts of thorium and/or cerium added to iridium metal form a precipitate, Ir5Th / Ir5Ce, which improves the high temperature mechanical properties of the resulting alloys. We demonstrate that there are low-energy configurations for nano-scale precipitates of these phases in Ir, and that these coherent arrangements may assist in producing improved mechanical properties. One precipitate/matrix orientation gives a particularly low interfacial energy, and a low lattice misfit. Nanolayer precipitates with this orientation are found to be likely to form, with little driving force to coarsen. The predicted morphology of the precipitates and their orientation with the matrix phase provide a potential experiment that could be used to test these predictions.

  17. IRS Parking Facility Lighting Retrofit Reduces Annual Energy...

    Office of Environmental Management (EM)

    IRS Parking Facility Lighting Retrofit Reduces Annual Energy Use by 76% IRS Parking Facility Lighting Retrofit Reduces Annual Energy Use by 76% IRS Parking Facility Lighting ...

  18. ARM - Datastreams - goes7ir8

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    ir8 Documentation XDC documentation Data Quality Plots ARM Data Discovery Browse Data Comments? We would love to hear from you! Send us a note below or call us at 1-888-ARM-DATA. Send Datastream : GOES7IR8 GOES-7: infrared, channel 8

  19. IR Spectral Bands and Performance | Open Energy Information

    Open Energy Info (EERE)

    2013 DOI Not Provided Check for DOI availability: http:crossref.org Online Internet link for IR Spectral Bands and Performance Citation Chris Douglass. IR Spectral Bands...

  20. Summary of the Optics, IR, Injection, Operations, Reliability...

    Office of Scientific and Technical Information (OSTI)

    Summary of the Optics, IR, Injection, Operations, Reliability and Instrumentation Working Group Citation Details In-Document Search Title: Summary of the Optics, IR, Injection, ...

  1. Gated IR Images of Shocked Surfaces

    SciTech Connect (OSTI)

    S. S. Lutz; W. D. Turley; P. M. Rightley; L. E. Primas

    2001-06-01

    Gated infrared (IR) images have been taken of a series of shocked surface geometries in tin. Metal coupons machined with steps and flats were mounted directly to the high explosive. The explosive was point-initiated and 500-ns to 1-microsecond-wide gated images of the target were taken immediately following shock breakout using a Santa Barbara Focalplane InSb camera (SBF-134). Spatial distributions of surface radiance were extracted from the images of the shocked samples and found to be non-single-valued. Several geometries were modeled using CTH, a two-dimensional Eulerian hydrocode.

  2. Spin orientations of the spin-half Ir4+ ions in Sr3NiIrO6, Sr2IrO4 and Na2IrO3: Density functional, perturbation theory and Madelung potential analyses

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Gordon, Elijah E.; Xiang, Hongjun; Koehler, Jurgen; Whangbo, Myung -Hwan

    2016-03-01

    The spins of the low-spin Ir4+ (S = 1/2, d5) ions at the octahedral sites of the oxides Sr3NiIrO6, Sr2IrO4 and Na2IrO3 exhibit preferred orientations with respect to their IrO6 octahedra. We evaluated the magnetic anisotropies of these S = 1/2 ions on the basis of DFT calculations including spin-orbit coupling (SOC), and probed their origin by performing perturbation theory analyses with SOC as perturbation within the LS coupling scheme. The observed spin orientations of Sr3NiIrO6 and Sr2IrO4 are correctly predicted by DFT calculations, and are accounted for by the perturbation theory analysis. As for the spin orientation of Na2IrO3,more » both experimental studies and DFT calculations have not been unequivocal. Our analysis reveals that the Ir4+ spin orientation of Na2IrO3 should have nonzero components along the c- and a-axes directions. The spin orientations determined by DFT calculations are sensitive to the accuracy of the crystal structures employed, which is explained by perturbation theory analyses when interactions between adjacent Ir4+ ions are taken into consideration. There are indications implying that the 5d electrons of Na2IrO3 are less strongly localized compared with those of Sr3NiIrO6 and Sr2IrO4. This implication was confirmed by showing that the Madelung potentials of the Ir4+ ions are less negative in Na2IrO3 than in Sr3NiIrO6, Sr2IrO4. Most transition-metal S = 1/2 ions do have magnetic anisotropies because the SOC induces interactions among their crystal-field split d-states, and the associated mixing of the states modifies only the orbital parts of the states. This finding cannot be mimicked by a spin Hamiltonian because this model Hamiltonian lacks the orbital degree of freedom, thereby leading to the spin-half syndrome. As a result, the spin-orbital entanglement for the 5d spin-half ions Ir4+ is not as strong as has been assumed lately.« less

  3. IY:ILrnr IR-rl?l'

    Office of Legacy Management (LM)

    IY:ILrnr IR-rl?l' w&m PadmmmTuJ tmml' aIs~#l!REm m-t, - 188kwxm BYI alahard 0. cr*rrror cy- r' , ' .~ -' - -' ^ , /' cs< 4. .c :' ; *. .h,- ' (z&&y .' ,/ ;f. .* &J >l a. L \' P" ,,,' ,.' I * :{' \ !' l t ..b c&~ tf ~ , r ,, r. ,* .;;;., k J ;, b $y$' Lrmprrw)rlt&tmxJ- a@. Frqrr at t&i8 raoLli:.y SC\ daummiI~Luualndr8rr~lfCUIf@@?~~oy-~ d )I t rq ,i .* 1 Virium~~bUrlJlOgarspvlr at ma rdutw. (500 p-4 3) i" 1 ) ,ip" 2. rt A8 - u %I* mm

  4. Summary of the Optics, IR, Injection, Operations, Reliability...

    Office of Scientific and Technical Information (OSTI)

    Technical Report: Summary of the Optics, IR, Injection, Operations, Reliability and Instrumentation Working Group Citation Details In-Document Search Title: Summary of the Optics, ...

  5. Ir-based alloys for ultra-high temperature applications

    DOE Patents [OSTI]

    Liu, Chain T.; George, Easo P.; Bloom, Everett E.

    2006-01-03

    An alloy composition includes, in atomic percent: about 1 to about 10% of at least one element selected from the group consisting of Zr and Hf, balance Ir.

  6. X-ray transient absorption and picosecond IR spectroscopy of...

    Office of Scientific and Technical Information (OSTI)

    X-ray transient absorption and picosecond IR spectroscopy of fulvalene(tetracarbonyl)diruthenium on photoexcitation Citation Details In-Document Search Title: X-ray transient ...

  7. NEAR-IR TWO PHOTON MICROSCOPY IMAGING OF SILICA NANOPARTICLES...

    Office of Scientific and Technical Information (OSTI)

    NANOPARTICLES FUNCTIONALIZED WITH ISOLATED SENSITIZED Yb(III) CENTERS Citation Details In-Document Search Title: NEAR-IR TWO PHOTON MICROSCOPY IMAGING OF SILICA NANOPARTICLES ...

  8. Graphene-silicon layered structures on single-crystalline Ir...

    Office of Scientific and Technical Information (OSTI)

    Accepted Manuscript: Graphene-silicon layered structures on single-crystalline Ir(111) thin films Prev Next Title: Graphene-silicon layered structures on single-crystalline...

  9. IR keeps coal miners safe and reduces downtime

    SciTech Connect (OSTI)

    Massey, L.G.

    2009-01-15

    Infrared (IR) cameras can inspect the direct current trolley system that powers mantrips and locomotives that transport men and supplies to an underground mine. If trolley insulators become shorted or electrically leaky they can heat the roof and cause a fire or cave-in. The article explains how IR inspection works and describes typical problems that can be identified by thermograms. 8 figs.

  10. Simultaneous multi-beam planar array IR (pair) spectroscopy

    DOE Patents [OSTI]

    Elmore, Douglas L.; Rabolt, John F.; Tsao, Mei-Wei

    2005-09-13

    An apparatus and method capable of providing spatially multiplexed IR spectral information simultaneously in real-time for multiple samples or multiple spatial areas of one sample using IR absorption phenomena requires no moving parts or Fourier Transform during operation, and self-compensates for background spectra and degradation of component performance over time. IR spectral information and chemical analysis of the samples is determined by using one or more IR sources, sampling accessories for positioning the samples, optically dispersive elements, a focal plane array (FPA) arranged to detect the dispersed light beams, and a processor and display to control the FPA, and display an IR spectrograph. Fiber-optic coupling can be used to allow remote sensing. Portability, reliability, and ruggedness is enhanced due to the no-moving part construction. Applications include determining time-resolved orientation and characteristics of materials, including polymer monolayers. Orthogonal polarizers may be used to determine certain material characteristics.

  11. NaIrO3A Pentavalent Post-perovskite

    SciTech Connect (OSTI)

    M Bremholm; S Dutton; P Stephens; R Cava

    2011-12-31

    Sodium iridium (V) oxide, NaIrO{sub 3}, was synthesized by a high pressure solid state method and recovered to ambient conditions. It is found to be isostructural with CaIrO{sub 3}, the much-studied structural analog of the high-pressure post-perovskite phase of MgSiO{sub 3}. Among the oxide post-perovskites, NaIrO{sub 3} is the first example with a pentavalent cation. The structure consists of layers of corner- and edge-sharing IrO{sub 6} octahedra separated by layers of NaO{sub 8} bicapped trigonal prisms. NaIrO{sub 3} shows no magnetic ordering and resistivity measurements show non-metallic behavior. The crystal structure, electrical and magnetic properties are discussed and compared to known post-perovskites and pentavalent perovskite metal oxides.

  12. IRS Announces New Tribal Economic Development Bond Allocation Guidance

    Broader source: Energy.gov [DOE]

    Treasury and the IRS published new guidance today allocating Tribal Economic Development Bonds (TEDBs) for Tribes that have projects that are in the final stages of going to the market to receive financing.

  13. ARM - Field Campaign - IR Cloud Camera Feasibility Study

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    govCampaignsIR Cloud Camera Feasibility Study ARM Data Discovery Browse Data Comments? We would love to hear from you Send us a note below or call us at 1-888-ARM-DATA. Send...

  14. New IRS Rules for Small and Medium Wind Turbines

    Broader source: Energy.gov [DOE]

    The Small Wind Certification Council (SWCC) will host a webinar on how certification is being used to meet the new Internal Revenue Service (IRS) requirements for small and medium wind turbines...

  15. DWEA Webinar: IRS Guidance for Small Wind Turbines

    Broader source: Energy.gov [DOE]

    The U.S. Internal Revenue Service (IRS) has issued Notice 2015-4 providing new performance and quality standards of small wind turbines – defined as having a nameplate capacity of up to 100 kW – in...

  16. Wet Chemical Compositional and Near IR Spectra Data Sets for...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Find More Like This Return to Search Wet Chemical Compositional and Near IR Spectra Data ... Wet chemical compositional data and NIR spectra exist for the following types of biomass ...

  17. The Use of Microscopes and Telescopes in IR Imaging (Conference...

    Office of Scientific and Technical Information (OSTI)

    working in a research environment, where applications can vary from week to week. ... In these cases, the thermographer must rely on an IR microscope for close-up work with a ...

  18. Energy Efficient Clothes Dryer with IR Heating and Electrostatic

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Precipitator | Department of Energy Clothes Dryer with IR Heating and Electrostatic Precipitator Energy Efficient Clothes Dryer with IR Heating and Electrostatic Precipitator This project seeks to demonstrate a ventless residential dryer with an energy factor greater than 4.04.<br /> Photo credit: GE Global Research This project seeks to demonstrate a ventless residential dryer with an energy factor greater than 4.04. Photo credit: GE Global Research Project team members left to right

  19. Liquid chromatography/Fourier transform IR spectrometry interface flow cell

    DOE Patents [OSTI]

    Johnson, C.C.; Taylor, L.T.

    1985-01-04

    A zero dead volume (ZDV) microbore high performance liquid chromatography (..mu.. HPLC)/Fourier transform infrared (FTIR) interface flow cell includes an IR transparent crystal having a small diameter bore therein through which a sample liquid is passed. The interface flow cell further includes a metal holder in combination with a pair of inner, compressible seals for directly coupling the thus configured spectrometric flow cell to the outlet of a ..mu.. HPLC column end fitting to minimize the transfer volume of the effluents exiting the ..mu.. HPLC column which exhibit excellent flow characteristics due to the essentially unencumbered, open-flow design. The IR beam passes transverse to the sample flow through the circular bore within the IR transparent crystal, which is preferably comprised of potassium bromide (KBr) or calcium fluoride (CaF/sub 2/), so as to minimize interference patterns and vignetting encountered in conventional parallel-plate IR cells. The long IR beam pathlength and lensing effect of the circular cross-section of the sample volume in combination with the refractive index differences between the solvent and the transparent crystal serve to focus the IR beam in enhancing sample detection sensitivity by an order of magnitude.

  20. Liquid chromatography/Fourier transform IR spectrometry interface flow cell

    DOE Patents [OSTI]

    Johnson, Charles C.; Taylor, Larry T.

    1986-01-01

    A zero dead volume (ZDV) microbore high performance liquid chromatography (.mu.HPLC)/Fourier transform infrared (FTIR) interface flow cell includes an IR transparent crystal having a small diameter bore therein through which a sample liquid is passed. The interface flow cell further includes a metal holder in combination with a pair of inner, compressible seals for directly coupling the thus configured spectrometric flow cell to the outlet of a .mu.HPLC column end fitting to minimize the transfer volume of the effluents exiting the .mu.HPLC column which exhibit excellent flow characteristics due to the essentially unencumbered, open-flow design. The IR beam passes transverse to the sample flow through the circular bore within the IR transparent crystal, which is preferably comprised of potassium bromide (KBr) or calcium fluoride (CaF.sub.2), so as to minimize interference patterns and vignetting encountered in conventional parallel-plate IR cells. The long IR beam pathlength and lensing effect of the circular cross-section of the sample volume in combination with the refractive index differences between the solvent and the transparent crystal serve to focus the IR beam in enhancing sample detection sensitivity by an order of magnitude.

  1. Superconducting and magnetic properties of Sr?Ir?Sn??

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Biswas, P. K.; Wang, Kefeng; Amato, A.; Khasanov, R.; Luetkens, H.; Petrovic, C.; Cook, R. M.; Lees, M. R.; Morenzoni, E.

    2014-10-10

    Magnetization and muon spin relaxation or rotation (SR) measurements have been performed to study the superconducting and magnetic properties of Sr?Ir?Sn??. From magnetization measurements the lower and upper critical fields of Sr?Ir?Sn?? are found to be 81(1) Oe and 14.4(2) kOe, respectively. Zero-field SR data show no sign of any magnetic ordering or weak magnetism in Sr?Ir?Sn??. Transverse-field SR measurements in the vortex state provided the temperature dependence of the magnetic penetration depth ?. The dependence of ?? with temperature is consistent with the existence of single s-wave energy gap in the superconducting state of Sr?Ir?Sn?? with a gap valuemoreof 0.82(2) meV at absolute zero temperature. The magnetic penetration depth at zero temperature ?(0) is 291(3) nm. The ratio ?(0)/kBTc = 2.1(1) indicates that Sr?Ir?Sn?? should be considered as a strong-coupling superconductor.less

  2. Low Dose IR Creates an Oncogenic Microenvironment by Inducing Premature

    SciTech Connect (OSTI)

    Yuan, Zhi-Min

    2013-04-28

    Introduction Much of the work addressing ionizing radiation-induced cellular response has been carried out mainly with the traditional cell culture technique involving only one cell type, how cellular response to IR is influenced by the tissue microenvironment remains elusive. By use of a three-dimensional (3D) co-culture system to model critical interactions of different cell types with their neighbors and with their environment, we recently showed that low-dose IR-induced extracellular signaling via the tissue environment affects profoundly cellular responses. This proposal aims at determining the response of mammary epithelial cells in a tissue-like setting.

  3. Sr2IrO4: Gateway to cuprate superconductivity?

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Mitchell, J. F.

    2015-06-05

    High temperature superconductivity in cuprates remains a defining challenge in condensed matter physics. Recently, a new set of related compounds based on Ir rather than Cu has been discovered that may be on the verge of superconductivity themselves or be able to shed new light on the underlying interactions responsible for superconductivity in the cuprates.

  4. Relative Infrared (IR) and Terahertz (THz) Signatures of Common Explosives

    SciTech Connect (OSTI)

    Sharpe, Steven W.; Johnson, Timothy J.; Sheen, David M.; Atkinson, David A.

    2006-11-13

    Pacific Northwest National Laboratory (PNNL) has recently recorded the infrared (IR) and far-infrared (sometimes called the terahertz, THz) spectral signatures of four common explosives, in the condensed phase. The signatures of RDX, PETN, TNT and Tetryl were recorded both in the infrared and the THz domains, using Fourier transform infrared (FTIR) spectroscopy. Samples consisted of thin films and were made by depositing and subsequent evaporation of an acetone-explosive mixture. The complete spectrum spanned the range from 4,000 to 8 cm-1 at 2.0 cm-1 spectral resolution. Preliminary results in the infrared agree with those of previous workers, while the THz signatures are one order of magnitude weaker than the strongest IR bands.

  5. IR OPTICS MEASUREMENT WITH LINEAR COUPLING'S ACTION-ANGLE PARAMETERIZATION.

    SciTech Connect (OSTI)

    LUO, Y.; BAI, M.; PILAT, R.; SATOGATA, T.; TRBOJEVIC, D.

    2005-05-16

    A parameterization of linear coupling in action-angle coordinates is convenient for analytical calculations and interpretation of turn-by-turn (TBT) beam position monitor (BPM) data. We demonstrate how to use this parameterization to extract the twiss and coupling parameters in interaction regions (IRs), using BPMs on each side of the long IR drift region. The example of TBT BPM analysis was acquired at the Relativistic Heavy Ion Collider (RHIC), using an AC dipole to excite a single eigenmode. Besides the full treatment, a fast estimate of beta*, the beta function at the interaction point (IP), is provided, along with the phase advance between these BPMs. We also calculate and measure the waist of the beta function and the local optics.

  6. First lasing of the IR upgrade FEL at Jefferson lab

    SciTech Connect (OSTI)

    Christopher Behre; Stephen Benson; George Biallas; James Boyce; Christopher Curtis; David Douglas; H. Dylla; L. Dillon-townes; Richard Evans; Albert Grippo; Joseph Gubeli; David Hardy; John Heckman; Carlos Hernandez-Garcia; Tommy Hiatt; Kevin Jordan; Nikolitsa Merminga; George Neil; Joseph Preble; Harvey Rutt; Michelle D. Shinn; Timothy Siggins; Hiroyuki Toyokawa; David W. Waldman; Richard Walker; Neil Wilson; Byung Yunn; Shukui Zhang

    2004-08-01

    We report initial lasing results from the IR Upgrade FEL at Jefferson Lab[1]. The electron accelerator was operated with low average current beam at 80 MeV. The time structure of the beam was 120 pC bunches at 4.678 MHz with up to 750 {micro}sec pulses at 2Hz. Lasing was established over the entire wavelength range of the mirrors (5.5-6.6 {micro}m). The detuning curve length, turn-on time, and power were in agreement with modeling results assuming a 1 psec FWHM micropulse. The same model predicts over 10 kW of power output with 10 mA of beam and 10% output coupling, which is the ultimate design goal of the IR Upgrade FEL. The behavior of the laser while the dispersion section strength was varied was found to qualitatively match predictions. Initial CW lasing results also will be presented.

  7. Sub-picosecond IR study of the reactive intermediate in an alkane...

    Office of Scientific and Technical Information (OSTI)

    Sub-picosecond IR study of the reactive intermediate in an alkane C-H bond activation reaction by CpRh(CO)2 Citation Details In-Document Search Title: Sub-picosecond IR study of ...

  8. SESAM FT-IR: A Comparison of the R&D Workhorse to Standard Emission...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    SESAM FT-IR: A Comparison of the R&D Workhorse to Standard Emission Benches SESAM FT-IR: A Comparison of the R&D Workhorse to Standard Emission Benches Data for a number of ...

  9. The IR-resummed Effective Field Theory of Large Scale Structures...

    Office of Scientific and Technical Information (OSTI)

    IR-resummed Effective Field Theory of Large Scale Structures Citation Details In-Document Search Title: The IR-resummed Effective Field Theory of Large Scale Structures We present a ...

  10. 5 Hz Catalytic Emissions FT-IR Monitoring during Lean-Rich Engine...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Hz Catalytic Emissions FT-IR Monitoring during Lean-Rich Engine Cycles: Comparison to Reference Methods 5 Hz Catalytic Emissions FT-IR Monitoring during Lean-Rich Engine Cycles: ...

  11. Uncooled thin film pyroelectric IR detector with aerogel thermal isolation

    SciTech Connect (OSTI)

    Ruffner, J.A.; Clem, P.G.; Tuttle, B.A. [and others

    1998-01-01

    Uncooled pyroelectric IR imaging systems, such as night vision goggles, offer important strategic advantages in battlefield scenarios and reconnaissance surveys. Until now, the current technology for fabricating these devices has been limited by low throughput and high cost which ultimately limit the availability of these sensor devices. We have developed and fabricated an alternative design for pyroelectric IR imaging sensors that utilizes a multilayered thin film deposition scheme to create a monolithic thin film imaging element on an active silicon substrate for the first time. This approach combines a thin film pyroelectric imaging element with a thermally insulating SiO{sub 2} aerogel thin film to produce a new type of uncooled IR sensor that offers significantly higher thermal, spatial, and temporal resolutions at a substantially lower cost per unit. This report describes the deposition, characterization and optimization of the aerogel thermal isolation layer and an appropriate pyroelectric imaging element. It also describes the overall integration of these components along with the appropriate planarization, etch stop, adhesion, electrode, and blacking agent thin film layers into a monolithic structure. 19 refs., 8 figs., 6 tabs.

  12. Carbon-Supported IrNi Core-Shell Nanoparticles: Synthesis Characterization and Catalytic Activity

    SciTech Connect (OSTI)

    K Sasaki; K Kuttiyiel; L Barrio; D Su; A Frenkel; N Marinkovic; D Mahajan; R Adzic

    2011-12-31

    We synthesized carbon-supported IrNi core-shell nanoparticles by chemical reduction and subsequent thermal annealing in H{sub 2}, and verified the formation of Ir shells on IrNi solid solution alloy cores by various experimental methods. The EXAFS analysis is consistent with the model wherein the IrNi nanoparticles are composed of two-layer Ir shells and IrNi alloy cores. In situ XAS revealed that the Ir shells completely protect Ni atoms in the cores from oxidation or dissolution in an acid electrolyte under elevated potentials. The formation of Ir shell during annealing due to thermal segregation is monitored by time-resolved synchrotron XRD measurements, coupled with Rietveld refinement analyses. The H{sub 2} oxidation activity of the IrNi nanoparticles was found to be higher than that of a commercial Pt/C catalyst. This is predominantly due to Ni-core-induced Ir shell contraction that makes the surface less reactive for IrOH formation, and the resulting more metallic Ir surface becomes more active for H{sub 2} oxidation. This new class of core-shell nanoparticles appears promising for application as hydrogen anode fuel cell electrocatalysts.

  13. IR Spectrometer Using 90-degree Off-axis Parabolic Mirrors

    SciTech Connect (OSTI)

    Robert M. Malone, Richard, G. Hacking, Ian J. McKenna, and Daniel H. Dolan

    2008-09-02

    A gated spectrometer has been designed for real-time, pulsed infrared (IR) studies at the National Synchrotron Light ource at the Brookhaven National Laboratory. A pair of 90-degree, off-axis parabolic mirrors are used to relay the light from an entrance slit to an output IR recording camera. With an initial wavelength range of 15004500 nm required, gratings could not be used in the spectrometer because grating orders would overlap. A magnesium oxide prism, placed between these parabolic mirrors, serves as the dispersion element. The spectrometer is doubly telecentric. With proper choice of the air spacing between the prism and the second parabolic mirror, any spectral region of interest within the InSb camera arrays sensitivity region can be recorded. The wavelengths leaving the second parabolic mirror are collimated, thereby relaxing the camera positioning tolerance. To set up the instrument, two different wavelength (visible) lasers are introduced at the entrance slit and made collinear with the optical axis via flip mirrors. After dispersion by the prism, these two laser beams are directed to tick marks located on the outside housing of the gated IR camera. This provides first-order wavelength calibration for the instrument. Light that is reflected off the front prism face is coupled into a high-speed detector to verify steady radiance during the gated spectral imaging. Alignment features include tick marks on the prism and parabolic mirrors. This instrument was designed to complement singlepoint pyrometry, which provides continuous time histories of a small collection of spots from shock-heated targets.

  14. MULTI-TUBE POWER LEADS TOWER FOR BEPCII IR MAGNETS.

    SciTech Connect (OSTI)

    JIA,L.X.; ZHANG,X.B.; WANG,L.; WANG,T.H.; YAO,Z.L.

    2004-05-11

    A power lead tower containing the multi-tube power leads is designed and under fabrication for the superconducting IR quadrupole magnets in the Beijing Electron Position Collider Upgrade (BEPCII). The lead tower consists of six pairs of gas-cooled leads for seven superconducting coils at various operating currents. The power lead is designed in a modular fashion, which can be easily applied to suit different operating current. The end copper block of the tube lead has a large cold mass that provide a large time constant in case of cooling flow interruption. A novel cryogenic electrical isolator is used for the leads.

  15. Large exchange bias enhancement in (Pt(or Pd)/Co)/IrMn/Co trilayers with ultrathin IrMn thanks to interfacial Cu dusting

    SciTech Connect (OSTI)

    Vinai, G. [SPINTEC, UMR 8191 CEA/CNRS/UJF/Grenoble-INP, CEA/INAC, 17, rue des Martyrs, 38054 Grenoble (France); Crocus Technology, 4 Place Robert Schuman, 38054 Grenoble (France); Moritz, J. [Institut Jean Lamour, UMR 7198 CNRS - Universit de Lorraine, Bd des Aiguillettes, BP 70239, F-54506 Vandoeuvre-les-Nancy Cedex (France); Bandiera, S. [Crocus Technology, 4 Place Robert Schuman, 38054 Grenoble (France); Prejbeanu, I. L.; Dieny, B. [SPINTEC, UMR 8191 CEA/CNRS/UJF/Grenoble-INP, CEA/INAC, 17, rue des Martyrs, 38054 Grenoble (France)

    2014-04-21

    The magnitude of exchange bias (H{sub ex}) at room temperature can be significantly enhanced in IrMn/Co and (Pt(or Pd)/Co)/IrMn/Co structures thanks to the insertion of an ultrathin Cu dusting layer at the IrMn/Co interface. The combination of trilayer structure and interfacial Cu dusting leads to a three-fold increase in H{sub ex} as compared to the conventional IrMn/Co bilayer structure, with an increased blocking temperature (T{sub B}) and a concave curvature of the temperature dependence H{sub ex}(T), ideal for improved Thermally Assisted-Magnetic Random Access Memory storage layer. This exchange bias enhancement is ascribed to a reduction of the spin frustration at the IrMn/Co interface thanks to interfacial Cu addition.

  16. Qualification tests for {sup 192}Ir sealed sources

    SciTech Connect (OSTI)

    Iancso, Georgeta Iliescu, Elena Iancu, Rodica

    2013-12-16

    This paper describes the results of qualification tests for {sup 192}Ir sealed sources, available in Testing and Nuclear Expertise Laboratory of National Institute for Physics and Nuclear Engineering 'Horia Hulubei' (I.F.I.N.-HH), Romania. These sources had to be produced in I.F.I.N.-HH and were tested in order to obtain the authorization from The National Commission for Nuclear Activities Control (CNCAN). The sources are used for gammagraphy procedures or in gammadefectoscopy equipments. Tests, measurement methods and equipments used, comply with CNCAN, AIEA and International Quality Standards and regulations. The qualification tests are: 1. Radiological tests and measurements: dose equivalent rate at 1 m; tightness; dose equivalent rate at the surface of the transport and storage container; external unfixed contamination of the container surface. 2. Mechanical and climatic tests: thermal shock; external pressure; mechanic shock; vibrations; boring; thermal conditions for storage and transportation. Passing all tests, it was obtained the Radiological Security Authorization for producing the {sup 192}Ir sealed sources. Now IFIN-HH can meet many demands for this sealed sources, as the only manufacturer in Romania.

  17. Infrared (IR) photon-sensitive spectromicroscopy in a cryogenic environment

    DOE Patents [OSTI]

    Pereverzev, Sergey

    2016-06-14

    A system designed to suppress thermal radiation background and to allow IR single-photon sensitive spectromicroscopy of small samples by using both absorption, reflection, and emission/luminescence measurements. The system in one embodiment includes: a light source; a plurality of cold mirrors configured to direct light along a beam path; a cold or warm sample holder in the beam path; windows of sample holder (or whole sample holder) are transparent in a spectral region of interest, so they do not emit thermal radiation in the same spectral region of interest; a cold monochromator or other cold spectral device configured to direct a selected fraction of light onto a cold detector; a system of cold apertures and shields positioned along the beam path to prevent unwanted thermal radiation from arriving at the cold monochromator and/or the detector; a plurality of optical, IR and microwave filters positioned along the beam path and configured to adjust a spectral composition of light incident upon the sample under investigation and/or on the detector; a refrigerator configured to maintain the detector at a temperature below 1.0K; and an enclosure configured to: thermally insulate the light source, the plurality of mirrors, the sample holder, the cold monochromator and the refrigerator.

  18. Epitaxial growth of iridate pyrochlore Nd2Ir2O7 films

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Gallagher, J. C.; Esser, B. D.; Morrow, R.; Dunsiger, S. R.; Williams, R. E. A.; Woodward, P. M.; McComb, D. W.; Yang, F. Y.

    2016-02-29

    Epitaxial films of the pyrochlore Nd2Ir2O7 have been grown on (111)-oriented yttria-stabilized zirconia (YSZ) substrates by off-axis sputtering followed by post-growth annealing. X-ray diffraction (XRD) results demonstrate phase-pure epitaxial growth of the pyrochlore films on YSZ. Scanning transmission electron microscopy (STEM) investigation of an Nd2Ir2O7 film with a short post-annealing provides insight into the mechanism for crystallization of Nd2Ir2O7 during the post-annealing process. STEM images reveal clear pyrochlore ordering of Nd and Ir in the films. As a result, the epitaxial relationship between the YSZ and Nd2Ir2O7 is observed clearly while some interfacial regions show a thin region with polycrystallinemore » Ir nanocrystals.« less

  19. FT-IR microscopical analysis with synchrotron radiation: The microscope optics and system performance

    SciTech Connect (OSTI)

    Reffner, J.A.; Martoglio, P.A.; Williams, G.P.

    1995-01-01

    When a Fourier transform infrared (FT-IR) microspectrometer was first interfaced with the National Synchrotron Light Source (NSLS) in September 1993, there was an instant realization that the performance at the diffraction limit had increased 40-100 times. The synchrotron source transformed the IR microspectrometer into a true IR microprobe, providing high-quality IR spectra for probe diameters at the diffraction limit. The combination of IR microspectroscopy and synchrotron radiation provides a powerful new tool for molecular spectroscopy. The ability to perform IR microspectroscopy with synchrotron radiation is still under development at Brookhaven National Laboratory, but several initial studies have been completed that demonstrate the broad-ranging applications of this technology and its potential for materials characterization.

  20. A UV to mid-IR study of AGN selection

    SciTech Connect (OSTI)

    Chung, Sun Mi; Kochanek, Christopher S.; Assef, Roberto; Brown, Michael J. I.; Stern, Daniel; Jannuzi, Buell T.; Gonzalez, Anthony H.; Hickox, Ryan C.; Moustakas, John

    2014-07-20

    We classify the spectral energy distributions (SEDs) of 431,038 sources in the 9 deg{sup 2} Boötes field of the NOAO Deep Wide-Field Survey (NDWFS). There are up to 17 bands of data available per source, including ultraviolet (GALEX), optical (NDWFS), near-IR (NEWFIRM), and mid-infrared (IRAC and MIPS) data, as well as spectroscopic redshifts for ∼20,000 objects, primarily from the AGN and Galaxy Evolution Survey. We fit galaxy, active galactic nucleus (AGN), stellar, and brown dwarf templates to the observed SEDs, which yield spectral classes for the Galactic sources and photometric redshifts and galaxy/AGN luminosities for the extragalactic sources. The photometric redshift precision of the galaxy and AGN samples are σ/(1 + z) = 0.040 and σ/(1 + z) = 0.169, respectively, with the worst 5% outliers excluded. On the basis of the χ{sub ν}{sup 2} of the SED fit for each SED model, we are able to distinguish between Galactic and extragalactic sources for sources brighter than I = 23.5 mag. We compare the SED fits for a galaxy-only model and a galaxy-AGN model. Using known X-ray and spectroscopic AGN samples, we confirm that SED fitting can be successfully used as a method to identify large populations of AGNs, including spatially resolved AGNs with significant contributions from the host galaxy and objects with the emission line ratios of 'composite' spectra. We also use our results to compare with the X-ray, mid-IR, optical color, and emission line ratio selection techniques. For an F-ratio threshold of F > 10, we find 16,266 AGN candidates brighter than I = 23.5 mag and a surface density of ∼1900 AGN deg{sup –2}.

  1. Phthalocyanine adsorption to graphene on Ir(111): Evidence for decoupling from vibrational spectroscopy

    SciTech Connect (OSTI)

    Endlich, M. Gozdzik, S.; Néel, N.; Kröger, J.; Rosa, A. L. da; Frauenheim, T.; Wehling, T. O.

    2014-11-14

    Phthalocyanine molecules have been adsorbed to Ir(111) and to graphene on Ir(111). From a comparison of scanning tunneling microscopy images of individual molecules adsorbed to the different surfaces alone it is difficult to discern potential differences in the molecular adsorption geometry. In contrast, vibrational spectroscopy using inelastic electron scattering unequivocally hints at strong molecule deformations on Ir(111) and at a planar adsorption geometry on graphene. The spectroscopic evidence for the different adsorption configurations is supported by density functional calculations.

  2. IR Imaging Using Arrays of SiO2 Micromechanical Detectors (Journal...

    Office of Scientific and Technical Information (OSTI)

    Each detector element incorporates an optical resonant cavity layer in the IR absorbing region of the sensing element. The simplified microfabrication process requires only four ...

  3. Structure and magnetic properties of the pyrochlore iridate Y2Ir2O7...

    Office of Scientific and Technical Information (OSTI)

    Structure and magnetic properties of the pyrochlore iridate Y2Ir2O7 Citation Details ... Sponsoring Org: USDOE Country of Publication: United States Language: English Word Cloud ...

  4. On Loops in Inflation II: IR Effects in Single Clock Inflation...

    Office of Scientific and Technical Information (OSTI)

    Title: On Loops in Inflation II: IR Effects in Single Clock Inflation Authors: Senatore, Leonardo ; Stanford U., ITP KIPAC, Menlo Park ; Zaldarriaga, Matias ; Princeton, Inst. ...

  5. IRS Parking Facility Lighting Retrofit Reduces Annual Energy Use by 76%

    Broader source: Energy.gov [DOE]

    Document provides an overview of how the IRS and MC Realty Group, its property management firm, achieved a 76% reduction in lighting energy use at an IRS facility parking garage in Kansas City, Missouri. The retrofit resulted in annual energy savings of 2 million kWh, annual cost savings of over $122,000, and a simple payback of 2.5 years.

  6. NaIrO{sub 3}-A pentavalent post-perovskite

    SciTech Connect (OSTI)

    Bremholm, M.; Dutton, S.E.; Stephens, P.W.; Cava, R.J.

    2011-03-15

    Sodium iridium (V) oxide, NaIrO{sub 3,} was synthesized by a high pressure solid state method and recovered to ambient conditions. It is found to be isostructural with CaIrO{sub 3}, the much-studied structural analog of the high-pressure post-perovskite phase of MgSiO{sub 3}. Among the oxide post-perovskites, NaIrO{sub 3} is the first example with a pentavalent cation. The structure consists of layers of corner- and edge-sharing IrO{sub 6} octahedra separated by layers of NaO{sub 8} bicapped trigonal prisms. NaIrO{sub 3} shows no magnetic ordering and resistivity measurements show non-metallic behavior. The crystal structure, electrical and magnetic properties are discussed and compared to known post-perovskites and pentavalent perovskite metal oxides. -- Graphical abstract: Sodium iridium(V) oxide, NaIrO{sub 3}, synthesized by a high pressure solid state method and recovered to ambient conditions is found to crystallize as the post-perovskite structure and is the first example of a pentavalent ABO{sub 3} post-perovskite. Research highlights: {yields} NaIrO{sub 3} post-perovskite stabilized by pressure. {yields} First example of a pentavalent oxide post-perovskite. {yields} Non-metallic and non-magnetic behavior of NaIrO{sub 3}.

  7. Enhanced oxygen evolution activity of IrO2 and RuO2 (100) surfaces...

    Office of Scientific and Technical Information (OSTI)

    Journal Article: Enhanced oxygen evolution activity of IrO2 and RuO2 (100) surfaces Citation Details In-Document Search ... Here we report that the (100) surface of IrO2 and RuO2 is ...

  8. The development of in-situ calibration method for divertor IR thermography in ITER

    SciTech Connect (OSTI)

    Takeuchi, M.; Sugie, T.; Ogawa, H.; Takeyama, S.; Itami, K.

    2014-08-21

    For the development of the calibration method of the emissivity in IR light on the divertor plate in ITER divertor IR thermography system, the laboratory experiments have been performed by using IR instruments. The calibration of the IR camera was performed by the plane black body in the temperature of 100–600 degC. The radiances of the tungsten heated by 280 degC were measured by the IR camera without filter (2.5–5.1 μm) and with filter (2.95 μm, 4.67 μm). The preliminary data of the scattered light of the laser of 3.34 μm that injected into the tungsten were acquired.

  9. Measuring Broadband IR Irradiance in the Direct Solar Beam (Presentation)

    SciTech Connect (OSTI)

    Reda, I.

    2015-03-01

    Solar and atmospheric science radiometers, e.g. pyranometers, pyrheliometers, and photovoltaic cells are calibrated with traceability to a consensus reference, which is maintained by Absolute Cavity Radiometers (ACRs). The ACR is an open cavity with no window, developed to measure extended broadband direct solar irradiance beyond the ultraviolet and infrared bands below and above 0.2 um and 50 um, respectively. On the other hand, pyranometers and pyrheliometers are developed to measure broadband shortwave irradiance from approximately 0.3 um to 3 um, while the present photovoltaic cells are limited to approximately 0.3 um to 1 um. The broadband mismatch of ACR versus such radiometers causes discrepancy in radiometers' calibration methods that has not been discussed or addressed in the solar and atmospheric science literature. Pyrgeometers are also used for solar and atmospheric science applications and are calibrated with traceability to consensus reference, yet are calibrated during nighttime only, because no consensus reference has yet been established for the daytime longwave irradiance. This poster shows a method to measure the broadband IR irradiance in the direct solar beam from 3 um to 50 um, as a first step that might be used to help develop calibration methods to address the mismatch between broadband ACR and shortwave radiometers, and the lack of a daytime reference for pyrgeometers. The irradiance was measured from sunrise to sunset for 5 days when the sun disk was cloudless; the irradiance varied from approximately 1 Wm-2 to 16 Wm-2 for solar zenith angle from 80 degrees to 16 degrees respectively; estimated uncertainty is 1.5 Wm-2.

  10. Measuring Broadband IR Irradiance in the Direct Solar Beam (Poster)

    SciTech Connect (OSTI)

    Reda, I.; Konings, J.; Xie, Y.; Dooraghi, M.; Sengupta, M.

    2015-03-01

    Solar and atmospheric science radiometers, e.g. pyranometers, pyrheliometers, and photovoltaic cells are calibrated with traceability to a consensus reference, which is maintained by Absolute Cavity Radiometers (ACRs). The ACR is an open cavity with no window, developed to measure extended broadband direct solar irradiance beyond the ultraviolet and infrared bands below and above 0.2 micrometers and 50 micrometers, respectively. On the other hand, pyranometers and pyrheliometers are developed to measure broadband shortwave irradiance from approximately 0.3 micrometers to 3 micrcometers, while the present photovoltaic cells are limited to approximately 0.3 micrometers to 1 micrometers. The broadband mismatch of ACR versus such radiometers causes discrepancy in radiometers' calibration methods that has not been discussed or addressed in the solar and atmospheric science literature. Pyrgeometers are also used for solar and atmospheric science applications and calibrated with traceability to consensus reference, yet calibrated during nighttime only, because no consensus reference has yet been established for the daytime longwave irradiance. This poster shows a method to measure the broadband IR irradiance in the direct solar beam from 3 micrometers to 50 micrometers, as first step that might be used to help develop calibration methods to address the mismatch between broadband ACR and shortwave radiometers, and the lack of a daytime reference for pyrgeometers. The irradiance was measured from sunrise to sunset for 5 days when the sun disk was cloudless; the irradiance varied from approximately 1 Wm-2 to 16 Wm-2 for solar zenith angle from 80 degres to 16 degrees respectively; estimated uncertainty is 1.5 Wm-2.

  11. Synchrotron IR microspectroscopy for protein structure analysis: Potential and questions

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Yu, Peiqiang

    2006-01-01

    Synchrotron radiation-based Fourier transform infrared microspectroscopy (S-FTIR) has been developed as a rapid, direct, non-destructive, bioanalytical technique. This technique takes advantage of synchrotron light brightness and small effective source size and is capable of exploring the molecular chemical make-up within microstructures of a biological tissue without destruction of inherent structures at ultra-spatial resolutions within cellular dimension. To date there has been very little application of this advanced technique to the study of pure protein inherent structure at a cellular level in biological tissues. In this review, a novel approach was introduced to show the potential of the newly developed, advancedmore » synchrotron-based analytical technology, which can be used to localize relatively “pure“ protein in the plant tissues and relatively reveal protein inherent structure and protein molecular chemical make-up within intact tissue at cellular and subcellular levels. Several complex protein IR spectra data analytical techniques (Gaussian and Lorentzian multi-component peak modeling, univariate and multivariate analysis, principal component analysis (PCA), and hierarchical cluster analysis (CLA) are employed to relatively reveal features of protein inherent structure and distinguish protein inherent structure differences between varieties/species and treatments in plant tissues. By using a multi-peak modeling procedure, RELATIVE estimates (but not EXACT determinations) for protein secondary structure analysis can be made for comparison purpose. The issues of pro- and anti-multi-peaking modeling/fitting procedure for relative estimation of protein structure were discussed. By using the PCA and CLA analyses, the plant molecular structure can be qualitatively separate one group from another, statistically, even though the spectral assignments are not known. The synchrotron-based technology provides a new approach for protein structure research in

  12. NGC 7538 IRS 1 - Subarcsecond resolution recombination line and (N-15)H3 maser observations

    SciTech Connect (OSTI)

    Gaume, R.A.; Johnston, K.J.; Nguyen, H.A.; Wilson, T.L.; Dickel, H.R. Max-Planck-Inst. fuer Radioastronomie, Bonn Illinois Univ., Urbana )

    1991-08-01

    The present imaging of the NGC 7538 IRS 1-associated (N-15)H3 (J, K) = (3, 3) maser emission with 0.2-arcsec resolution shows the strongest such masers, which may be amplifying the strong double-lobe radio continuum core of the IRS 1 H II region, to be concentrated in two regions separated by about 0.2 arcsec. Observations of several hydrogen recombination line transitions indicate that the velocity of the IRS H II region is similar to that of the ambient molecular cloud. 23 refs.

  13. New insulating antiferromagnetic quaternary iridates MLa10Ir4O24...

    Office of Scientific and Technical Information (OSTI)

    The canonical example is the Ruddlesden-Popper compound Sr2IrO4, which has been suggested as a potential route to a new class of high temperature superconductor due to the formal ...

  14. Structure symmetry determination and magnetic evolution in Sr2Ir1...

    Office of Scientific and Technical Information (OSTI)

    evolution in Sr2Ir1-xRhxO4 This content will become publicly available on November 23, 2016 Prev Next Title: Structure symmetry determination and magnetic evolution in ...

  15. IR Imaging Using Arrays of SiO2 Micromechanical Detectors

    SciTech Connect (OSTI)

    Grbovic, Dragoslav; Lavrik, Nickolay V; Rajic, Slobodan; Datskos, Panos G; Hunter, Scott Robert

    2012-01-01

    In this letter, we describe the fabrication of an array of bimaterial detectors for infrared (IR) imaging that utilize SiO2 as a structural material. All the substrate material underneath the active area of each detector element was removed. Each detector element incorporates an optical resonant cavity layer in the IR absorbing region of the sensing element. The simplified microfabrication process requires only four photolithographic steps with no wet etching or sacrificial layers. The thermomechanical deflection sensitivity was 7.9 10-3 rad/K which corresponds to a noise equivalent temperature difference (NETD) of 2.9 mK. In the present work the array was used to capture IR images while operating at room temperature and atmospheric pressure and no need for vacuum packaging. The average measured NETD of our IR detector system was approximately 200 mK but some sensing elements exhibited an NETD of 50 mK.

  16. 5 Hz Catalytic Emissions FT-IR Monitoring during Lean-Rich Engine Cycles:

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Comparison to Reference Methods | Department of Energy Hz Catalytic Emissions FT-IR Monitoring during Lean-Rich Engine Cycles: Comparison to Reference Methods 5 Hz Catalytic Emissions FT-IR Monitoring during Lean-Rich Engine Cycles: Comparison to Reference Methods 2005 Diesel Engine Emissions Reduction (DEER) Conference Presentations and Posters 2005_deer_lake.pdf (837.29 KB) More Documents & Publications Reductant Utilization in a LNT + SCR System Spatiotemporal Distribution of NOx

  17. New insulating antiferromagnetic quaternary iridates MLa10Ir4O24 (M=Sr, Ba)

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Zhao, Qingbiao; Han, Fei; Stoumpos, Constantinos C.; Han, Tian -Heng; Li, Hao; Mitchell, J. F.

    2015-07-01

    Recently, oxides of Ir4+ have received renewed attention in the condensed matter physics community, as it has been reported that certain iridates have a strongly spin-orbital coupled (SOC) electronic state, Jeff = ½, that defines the electronic and magnetic properties. The canonical example is the Ruddlesden-Popper compound Sr2IrO4, which has been suggested as a potential route to a new class of high temperature superconductor due to the formal analogy between Jeff = ½ and the S = ½ state of the cuprate superconductors. The quest for other iridium oxides that present tests of the underlying SOC physics is underway. Inmore » this spirit, here we report the synthesis and physical properties of two new quaternary tetravalent iridates, MLa10Ir4O24 (M = Sr, Ba). The crystal structure of both compounds features isolated IrO6 octahedra in which the electronic configuration of Ir is d5. As a result, both compounds order antiferromagnetically despite the lack of obvious superexchange pathways, and resistivity measurement shows that SrLa10Ir4O24 is an insulator.« less

  18. LENS MODELS OF HERSCHEL-SELECTED GALAXIES FROM HIGH-RESOLUTION NEAR-IR OBSERVATIONS

    SciTech Connect (OSTI)

    Calanog, J. A.; Cooray, A.; Ma, B.; Casey, C. M.; Fu, Hai; Wardlow, J.; Amber, S.; Baker, A. J.; Baes, M.; Bock, J.; Bourne, N.; Dye, S.; Bussmann, R. S.; Chapman, S. C.; Clements, D. L.; Conley, A.; Dannerbauer, H.; Dunne, L.; Eales, S.; and others

    2014-12-20

    We present Keck-Adaptive Optics and Hubble Space Telescope high resolution near-infrared (IR) imaging for 500 ?m bright candidate lensing systems identified by the Herschel Multi-tiered Extragalactic Survey and Herschel Astrophysical Terahertz Large Area Survey. Out of 87 candidates with near-IR imaging, 15 (?17%) display clear near-IR lensing morphologies. We present near-IR lens models to reconstruct and recover basic rest-frame optical morphological properties of the background galaxies from 12 new systems. Sources with the largest near-IR magnification factors also tend to be the most compact, consistent with the size bias predicted from simulations and previous lensing models for submillimeter galaxies (SMGs). For four new sources that also have high-resolution submillimeter maps, we test for differential lensing between the stellar and dust components and find that the 880 ?m magnification factor (?{sub 880}) is ?1.5 times higher than the near-IR magnification factor (?{sub NIR}), on average. We also find that the stellar emission is ?2 times more extended in size than dust. The rest-frame optical properties of our sample of Herschel-selected lensed SMGs are consistent with those of unlensed SMGs, which suggests that the two populations are similar.

  19. Planar Hall effect in Y{sub 3}Fe{sub 5}O{sub 12}/IrMn films

    SciTech Connect (OSTI)

    Zhang, X. Zou, L. K.

    2014-12-29

    The planar Hall effect of IrMn on an yttrium iron garnet (YIG = Y{sub 3}Fe{sub 5}O{sub 12}) was measured in the magnetic field rotating in the film plane. The magnetic field angular dependence of planar Hall resistance (PHR) was observed in YIG/IrMn bilayer at different temperatures, while the Gd{sub 3}Ga{sub 5}O{sub 12}/IrMn film shows constant PHR for different magnetic field angles at both 10 K and 300 K. This provides evidence that IrMn has interfacial spins which can be led by ferrimagnetic layer in YIG/IrMn structure. A hysteresis can be observed in PHR-magnetic field angle loop of YIG/IrMn film at 10 K, indicative of the irreversible switching of IrMn interfacial spins at low temperature.

  20. Elastic, magnetic and electronic properties of iridium phosphide Ir2P

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Wang, Pei; Wang, Yonggang; Wang, Liping; Zhang, Xinyu; Yu, Xiaohui; Zhu, Jinlong; Wang, Shanmin; Qin, Jiaqian; Leinenweber, Kurt; Chen, Haihua; et al

    2016-02-24

    Cubic (space group: Fm3¯m) iridium phosphide, Ir2P, has been synthesized at high pressure and high temperature. Angle-dispersive synchrotron X-ray diffraction measurements on Ir2P powder using a diamond-anvil cell at room temperature and high pressures (up to 40.6 GPa) yielded a bulk modulus of B0 = 306(6) GPa and its pressure derivative B0'= 6.4(5). Such a high bulk modulus attributed to the short and strongly covalent Ir-P bonds as revealed by first – principles calculations and three-dimensionally distributed [IrP4] tetrahedron network. Indentation testing on a well–sintered polycrystalline sample yielded the hardness of 11.8(4) GPa. Relatively low shear modulus of ~64 GPamore » from theoretical calculations suggests a complicated overall bonding in Ir2P with metallic, ionic, and covalent characteristics. Additionally, a spin glass behavior is indicated by magnetic susceptibility measurements.« less

  1. Elastic, magnetic and electronic properties of iridium phosphide Ir2P

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Wang, Pei; Wang, Yonggang; Wang, Liping; Zhang, Xinyu; Yu, Xiaohui; Zhu, Jinlong; Wang, Shanmin; Qin, Jiaqian; Leinenweber, Kurt; Chen, Haihua; et al

    2016-02-24

    Cubic (space group: Fm3¯m) iridium phosphide, Ir2P, has been synthesized at high pressure and high temperature. Angle-dispersive synchrotron X-ray diffraction measurements on Ir2P powder using a diamond-anvil cell at room temperature and high pressures (up to 40.6 GPa) yielded a bulk modulus of B0 = 306(6) GPa and its pressure derivative B0' = 6.4(5). Such a high bulk modulus attributed to the short and strongly covalent Ir-P bonds as revealed by first – principles calculations and three-dimensionally distributed [IrP4] tetrahedron network. Indentation testing on a well–sintered polycrystalline sample yielded the hardness of 11.8(4) GPa. Relatively low shear modulus of ~64more » GPa from theoretical calculations suggests a complicated overall bonding in Ir2P with metallic, ionic, and covalent characteristics. Additionally, a spin glass behavior is indicated by magnetic susceptibility measurements.« less

  2. Copper intercalation at the interface of graphene and Ir(111) studied by scanning tunneling microscopy

    SciTech Connect (OSTI)

    Sicot, M. Fagot-Revurat, Y.; Kierren, B.; Vasseur, G.; Malterre, D.

    2014-11-10

    We report on the intercalation of a submonolayer of copper at 775?K underneath graphene epitaxially grown on Ir(111) studied by means of low energy electron diffraction (LEED) and scanning tunneling microscopy (STM) at 77?K. Nucleation and growth dynamics of Cu below graphene have been investigated, and, most importantly, the intercalation mechanism has been identified. First, LEED patterns reveal the pseudomorphic growth of Cu on Ir under the topmost graphene layer resulting in a large Cu in-plane lattice parameter expansion of about 6% compared to Cu(111). Second, large-scale STM topographs as a function of Cu coverage show that Cu diffusion on Ir below graphene exhibits a low energy barrier resulting in Cu accumulation at Ir step edges. As a result, the graphene sheet undergoes a strong edges reshaping. Finally, atomically-resolved STM images reveal a damaged graphene sheet at the atomic scale after metal intercalation. Point defects in graphene were shown to be carbon vacancies. According to these results, a Cu penetration path beneath graphene is proposed to occur via metal aided defect formation with no or poor self healing of the graphene sheet. This work illustrates the fact that Cu intercalation is harmful for graphene grown on Ir(111) at the atomic scale.

  3. ADA ES Inc | Open Energy Information

    Open Energy Info (EERE)

    Offers proprietary environmental technology and specialty chemicals to mitigate the environmental impact from electric power and industrial companies while reducing operating...

  4. Vortexlike excitations in the heavy-fermion superconductor CeIrIn5

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Luo, Yongkang; Rosa, P. F. S.; Bauer, E. D.; Thompson, J. D.

    2016-05-05

    Here, we report a systematic study of temperature- and field-dependent charge (ρ) and entropy (S) transport in the heavy-fermion superconductor CeIrIn5. Its large positive thermopower Sxx is typical of Ce-based Kondo lattice systems, and strong electronic correlations play an important role in enhancing the Nernst signal Sxy. By separating the off-diagonal Peltier coefficient αxy from Sxy, we find that αxy becomes positive and greatly enhanced at temperatures well above the bulk Tc. Compared with the nonmagnetic analog LaIrIn5, these results suggest vortexlike excitations in a precursor state to unconventional superconductivity in CeIrIn5. This study sheds light on the similarity ofmore » heavy-fermion and cuprate superconductors and on the possibility of states not characterized by the amplitude of an order parameter.« less

  5. Modulated IR radiometry for determining thermal properties and basic characteristics of titanium thin films

    SciTech Connect (OSTI)

    Apreutesei, Mihai; Lopes, Claudia; Vaz, Filipe; Macedo, Francisco; Borges, Joel

    2014-07-01

    Titanium thin films of different thicknesses were prepared by direct current magnetron sputtering to study modulated infrared (IR) radiometry as a tool for analyzing film thickness. Thickness was varied by regularly increasing the deposition time, keeping all the other deposition parameters constant. The influence of film thickness on morphological, structural, and electrical properties of the titanium coatings also was investigated. The experimental results revealed a systematic grain growth with increasing film thickness, along with enhanced film crystallinity, which led to increased electrical conductivity. Using the results obtained by modulated IR radiometry, the thickness of each thin film was calculated. These thickness values were then compared with the coating thickness measurements obtained by scanning electron microscopy. The values confirmed the reliability of modulated IR radiometry as an analysis tool for thin films and coatings, and for determining thicknesses in the micrometer range, in particular.

  6. Determination of partial (n,xngamma) cross-sections in 193-Ir

    SciTech Connect (OSTI)

    Talou, P; Chadwick, M B; Nelson, R; Fotiades, N; Devlin, M; Garrett, P E; Younes, W; Becker, J A

    2003-10-15

    The {sup 193}Ir(n,n'){sup 193m}Ir cross section for the production of the 80-keV isomer in {sup 193}Ir is evaluated using a combination of experimental data and nuclear reaction modeling, from threshold to about 20 MeV. Four discrete {gamma} lines feeding the isomer were recently observed with the GEANIE {gamma}-ray detector at LANSCE. Theoretical calculations of the nuclear reaction mechanisms in play are then carried out to evaluate the contributions not accounted for in the experimental setup (direct population; fraction of {gamma}-lines not observed in the experiment; etc). Experiment and modeling are then combined to provide a total cross section for the production of the Iridium isomer. We finally compare our result with activation measurement data available for a few energy points.

  7. Structure symmetry determination and magnetic evolution in Sr2Ir1–xRhxO4

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Ye, Feng; Wang, Xiaoping; Hoffmann, Christina; Wang, Jinchen; Chi, Songxue; Matsuda, Masaaki; Chakoumakos, Bryan C.; Fernandez-Baca, Jaime A.; Cao, Gang

    2015-11-23

    We use single-crystal neutron diffraction to determine the crystal structure symmetry and to study the magnetic evolution in the rhodium doped iridates Sr2Ir1–xRhxO4 (0 ≤ x ≤ 0.16). Throughout this doping range, the crystal structure retains a tetragonal symmetry (space group I41/a) with two distinct magnetic Ir sites in the unit cell forming staggered IrO6 rotation. Upon Rh doping, the magnetic order is suppressed and the magnetic moment of Ir4+ is reduced from 0.21 μB/Ir for x = 0 to 0.18 μB/Ir for x = 0.12. As a result, the magnetic structure at x = 0.12 is different from thatmore » of the parent compound while the moments remain in the basal plane.« less

  8. Mechanism of Efficient Anti-Markovnikov Olefin Hydroarylation Catalyzed by Homogeneous Ir(III) Complexes

    SciTech Connect (OSTI)

    Bhalla, Gaurav; Bischof, Steven M; Ganesh, Somesh K; Liu, Xiang Y; Jones, C J; Borzenko, Andrey; Tenn, William J; Ess, Daniel H; Hashiguchi, Brian G; Lokare, Kapil S; Leung, Chin Hin; Oxgaard, Jonas; Goddard, William A; Periana, Roy A

    2011-01-01

    The mechanism of the hydroarylation reaction between unactivated olefins (ethylene, propylene, and styrene) and benzene catalyzed by [(R)Ir(?-acac-O,O,C{sup 3})-(acac-O,O){sub 2}]{sub 2} and [R-Ir(acac-O,O){sub 2}(L)] (R = acetylacetonato, CH{sub 3}, CH{sub 2}CH{sub 3}, Ph, or CH{sub 2}CH{sub 2}Ph, and L = H{sub 2}O or pyridine) Ir(III) complexes was studied by experimental methods. The system is selective for generating the anti-Markovnikov product of linear alkylarenes (61:39 for benzene + propylene and 98:2 for benzene + styrene). The reaction mechanism was found to follow a rate law with first-order dependence on benzene and catalyst, but a non-linear dependence on olefin. {sup 13}C-labelling studies with CH{sub 3}{sup 13}CH{sub 2}-Ir-Py showed that reversible ?-hydride elimination is facile, but unproductive, giving exclusively saturated alkylarene products. The migration of the {sup 13}C-label from the ? to ?-positions was found to be slower than the CH activation of benzene (and thus formation of ethane and Ph-d{sub 5}-Ir-Py). Kinetic analysis under steady state conditions gave a ratio of the rate constants for CH activation and ?-hydride elimination (k{sub CH}: k{sub ?}) of ~0.5. The comparable magnitude of these rates suggests a common rate determining transition state/intermediate, which has been shown previously with B3LYP density functional theory (DFT) calculations. Overall, the mechanism of hydroarylation proceeds through a series of pre-equilibrium dissociative steps involving rupture of the dinuclear species or the loss of L from Ph-Ir-L to the solvento, 16-electron species, Ph-Ir(acac-O,O){sub 2}-Sol (where Sol refers to coordinated solvent). This species then undergoes trans to cisisomerization of the acetylacetonato ligand to yield the pseudo octahedral species cis-Ph-Ir-Sol, which is followed by olefin insertion (the regioselective and rate determining step), and then activation of the CH bond of an incoming benzene to generate the product and

  9. Handling collision debris in quad- and dipole-first LHC IR options

    SciTech Connect (OSTI)

    Mokhov, N.V.; Rakhno, I.L.; /Fermilab

    2006-12-01

    Detailed MARS15 Monte Carlo energy deposition calculations are performed for two main designs of the LHC interaction regions (IR) capable to achieve a luminosity of 10{sup 35} cm{sup -2} s{sup -1}: a traditional quadrupole-first scheme and the one with a dual-bore inner triplet with separation dipoles placed in front of the quadrupoles. It is shown that with the appropriate design of the Nb3Sn magnets, IR layout and a number of protective measures implemented, both schemes are feasible for the LHC luminosity upgrade up to 10{sup 35} cm{sup -2} s{sup -1}.

  10. Filamentation of IR and UV femtosecond pulses upon focusing in air

    SciTech Connect (OSTI)

    Dergachev, A A; Ionin, Andrei A; Kandidov, V P; Seleznev, L V; Sinitsyn, D V; Sunchugasheva, E S; Shlenov, Svyatoslav A

    2013-01-31

    The filamentation of IR and UV laser pulses has been studied numerically and experimentally for different initial beam focusing geometries, and linear electron density profiles along the plasma channel of filaments have been obtained. The results demonstrate that changes in laser beam focusing have a stronger effect on filament and plasma channel parameters for UV radiation than for IR radiation. Focusing causes individual high fluence regions produced by refocusing to merge to form a continuous extended filament with a continuous plasma channel. (nonlinear optical phenomena)

  11. SESAM FT-IR: A Comparison of the R&D Workhorse to Standard Emission Benches

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    | Department of Energy SESAM FT-IR: A Comparison of the R&D Workhorse to Standard Emission Benches SESAM FT-IR: A Comparison of the R&D Workhorse to Standard Emission Benches Data for a number of regulated emissions and ethanol using the SESAM FT-IR compare favorably with standard emissions analyzers. p-07_frazee.pdf (499.08 KB) More Documents & Publications 5 Hz Catalytic Emissions FT-IR Monitoring during Lean-Rich Engine Cycles: Comparison to Reference Methods Vehicle

  12. Overview and status of first 25 MW(e) IR-CFB boiler in India

    SciTech Connect (OSTI)

    Kavidass, S.; Bakshi, V.K.; Diwakar, K.K.

    1997-12-31

    The Babcock and Wilcox (B and W) internal recirculation CFB (IR-CFB) boiler is unique in design. Worldwide, B and W offers IR-CFB boilers up to 150 MW(e) both reheat and non-reheat, and is pursuing units up to 300 MW(e). This paper discusses an overview and status of the construction, commissioning, initial start-up operation and milestones of the ongoing 25 MW(e) IR-CFB boiler project at Kanoria Chemicals and Industries Ltd., Renukoot, India. This IR-CFB boiler is designed, supplied and installed by Thermax Babcock and Wilcox Ltd. (TBW), a joint venture company of the B and W and Thermax in India. The boiler parameters are, steam flow of 29.2 kg/s (23,420 lbs/hr), 6.4 MPa (925 psig), and 485 C (905 F) with feedwater temperature of 180 C (356 F). The boiler will utilize high-ash content (> 45%), subbituminous coal with a heating value of 3,500 KCal/kg (6,300 Btu/lb). This paper also discusses the various aspects of the boiler design, performance, auxiliary equipment, advantages and initial start-up operating performance.

  13. Update of operating experience of B and W IR-CFB coal-fired boilers

    SciTech Connect (OSTI)

    Belin, F.; Kavidass, S.; Maryamchik, M.; Walker, D.J.; Mandal, A.K.; Price, C.E.

    1999-07-01

    This paper updates the operating experience of two Babcock and Wilcox (B and W) coal-fired, internal recirculation circulating fluidized-bed (IR-CFB) boilers. The first boiler is located at Southern Illinois University (SIU) in Carbondale, Illinois, USA, and is designed for 35 MW{sub th} output for cogeneration application, utilizing high sulfur, low ash Illinois coal. The second boiler is located at Kanoria Chemicals and Industries in Renukoot, India, and is designed for 81 MW{sub th} output for captive power requirement, firing high ash, low sulfur coal. This boiler was supplied by Thermax B and W Ltd., a joint venture company of B and W and Thermax of India. The choice of CFB technology was based on its fuel flexibility, cost effectiveness and environmental benefits for solid fuels. Based on the broad experience in designing utility and industrial boilers for operation worldwide, B and W has developed a cost effective and compact atmospheric pressure IR-CFB boiler. The B and W IR-CFB boiler design is distinctive in its use of U-beam particle separators. Worldwide, B and W offers IF-CFB boilers up to 175 MW{sub th}, both reheat and non-reheat, and is pursuing units up to 350 MW{sub th}. This paper reviews the general description of each IR-CFB boiler, design and performance aspects, as well as overall operating experiences. The boiler availabilities including maintenance aspects and emissions data will be presented.

  14. Nature of the insulating ground state of the5d postperovskite CaIrO?

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Kim, Sun -Woo; Liu, Chen; Kim, Hyun -Jung; Lee, Jun -Ho; Yao, Yongxin; Ho, Kai -Ming; Cho, Jun -Hyung

    2015-08-26

    In this study, the insulating ground state of the 5d transition metal oxide CaIrO3 has been classified as a Mott-type insulator. Based on a systematic density functional theory (DFT) study with local, semilocal, and hybrid exchange-correlation functionals, we reveal that the Ir t2g states exhibit large splittings and one-dimensional electronic states along the c axis due to a tetragonal crystal field. Our hybrid DFT calculation adequately describes the antiferromagnetic (AFM) order along the c direction via a superexchange interaction between Ir4+ spins. Furthermore, the spin-orbit coupling (SOC) hybridizes the t2g states to open an insulating gap. These results indicate thatmoreCaIrO3 can be represented as a spin-orbit Slater insulator, driven by the interplay between a long-range AFM order and the SOC. Such a Slater mechanism for the gap formation is also demonstrated by the DFT + dynamical mean field theory calculation, where the metal-insulator transition and the paramagnetic to AFM phase transition are concomitant with each other.less

  15. Thermodynamics and superconductivity of Th7(Fe, Ru, Os, Co, Rh, Ir)3 system

    SciTech Connect (OSTI)

    Smith, James L; Lashley, Jason C; Volz, Heather M; Fisher, Robert A

    2008-01-01

    Expanding the temperature range of previous specific-heat measurements on the Th7(Fe, Ru, Os, Co, Rh, Ir)3 system, we measure the effect of transition-metal substitution on total entropy (S{sub 298 k}), electronic specific heat ({gamma}), and Debye temperature ({Theta}D). In addition we measure the pressure dependence, up to 10 kbar, of the superconducting transition.

  16. Nature of the insulating ground state of the 5d postperovskite CaIrO3

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Kim, Sun -Woo; Liu, Chen; Kim, Hyun -Jung; Lee, Jun -Ho; Yao, Yongxin; Ho, Kai -Ming; Cho, Jun -Hyung

    2015-08-26

    In this study, the insulating ground state of the 5d transition metal oxide CaIrO3 has been classified as a Mott-type insulator. Based on a systematic density functional theory (DFT) study with local, semilocal, and hybrid exchange-correlation functionals, we reveal that the Ir t2g states exhibit large splittings and one-dimensional electronic states along the c axis due to a tetragonal crystal field. Our hybrid DFT calculation adequately describes the antiferromagnetic (AFM) order along the c direction via a superexchange interaction between Ir4+ spins. Furthermore, the spin-orbit coupling (SOC) hybridizes the t2g states to open an insulating gap. These results indicate thatmore » CaIrO3 can be represented as a spin-orbit Slater insulator, driven by the interplay between a long-range AFM order and the SOC. Such a Slater mechanism for the gap formation is also demonstrated by the DFT + dynamical mean field theory calculation, where the metal-insulator transition and the paramagnetic to AFM phase transition are concomitant with each other.« less

  17. Temperature dependence of anisotropic magnetoresistance in antiferromagnetic Sr{sub 2}IrO{sub 4}

    SciTech Connect (OSTI)

    Wang, C.; Seinige, H.; Tsoi, M.; Cao, G.; Zhou, J.-S.; Goodenough, J. B.

    2015-05-07

    Temperature-dependent magnetotransport properties of the antiferromagnetic semiconductor Sr{sub 2}IrO{sub 4} are investigated with point-contact devices. The point-contact technique allows to probe very small volumes and, therefore, to look for electronic transport on a microscopic scale. Point-contact measurements with single crystals of Sr{sub 2}IrO{sub 4} were intended to see whether the additional local resistance associated with a small contact area between a sharpened Cu tip and the antiferromagnet shows magnetoresistance (MR) such as that seen in bulk crystals. Point-contact measurements at liquid nitrogen temperature revealed large MRs (up to 28%) for modest magnetic fields (250 mT) applied within an IrO{sub 2} (ab) plane with angular dependence showing a crossover from four-fold to two-fold symmetry with an increasing magnetic field. Point contact measurement exhibits distinctive anisotropic magnetoresistance (AMR) in comparison to a bulk experiment, imposing intriguing questions about the mechanism of AMR in this material. Temperature-dependent MR measurements show that the MR falls to zero at the Neel temperature, but the temperature dependence of the MR ratio differs qualitatively from that of the resistivity. This AMR study helps to unveil the entanglement between electronic transport and magnetism in Sr{sub 2}IrO{sub 4} while the observed magnetoresistive phenomena can be potentially used to sense the antiferromagnetic order parameter in spintronic applications.

  18. Comparative Investigation of Benzene Steam Reforming over Spinel Supported Rh and Ir Catalysts

    SciTech Connect (OSTI)

    Mei, Donghai; Lebarbier, Vanessa M.; Rousseau, Roger; Glezakou, Vassiliki-Alexandra; Albrecht, Karl O.; Kovarik, Libor; Flake, Matt; Dagle, Robert A.

    2013-06-07

    In a combined experimental and first-principles density functional theory (DFT) study, benzene steam reforming (BSR) over MgAl2O4 supported Rh and Ir catalysts was investigated. Experimentally, it has been found that both highly dispersed Rh and Ir clusters (1-2 nm) on the MgAl2O4 spinel support are stable during the BSR in the temperature range of 700-850°C. Compared to the Ir/MgAl2O4 catalyst, the Rh/MgAl2O4 catalyst is more active with higher benzene turnover frequency and conversion. At typical steam conditions with the steam-to-carbon ratio > 12, the benzene conversion is only a weak function of the H2O concentration in the feed. This suggests that the initial benzene decomposition step rather than the benzene adsorption is most likely the rate-determined step in BSR over supported Rh and Ir catalysts. In order to understand the differences between the two catalysts, we followed with a comparative DFT study of initial benzene decomposition pathways over two representative model systems for each supported metal (Rh and Ir) catalysts. A periodic terrace (111) surface and an amorphous 50-atom metal cluster with a diameter of 1.0 nm were used to represent the two supported model catalysts under low and high dispersion conditions. Our DFT results show that the decreasing catalyst particle size enhances the benzene decomposition on supported Rh catalysts by lowering both C-C and C-H bond scission. The activation barriers of the C-C and the C-H bond scission decrease from 1.60 and 1.61 eV on the Rh(111) surface to 1.34 and 1.26 eV on the Rh50 cluster. For supported Ir catalysts, the decreasing particle size only affects the C-C scission. The activation barrier of the C-C scission of benzene decreases from 1.60 eV on the Ir(111) surface to 1.35 eV on the Ir50 cluster while the barriers of the C-H scission are practically the same. The experimentally measured higher BSR

  19. GaSb substrates with extended IR wavelength for advanced space based applications

    SciTech Connect (OSTI)

    Allen, Lisa P.; Flint, Patrick; Dallas, Gordon; Bakken, Daniel; Blanchat, Kevin; Brown, Gail J.; Vangala, Shivashankar R.; Goodhue, William D.; Krishnaswami, Kannan

    2009-05-01

    GaSb substrates have advantages that make them attractive for implementation of a wide range of infrared (IR) detectors with higher operating temperatures for stealth and space based applications. A significant aspect that would enable widespread commercial application of GaSb wafers for very long wavelength IR (VLWIR) applications is the capability for transmissivity beyond 15 m. Due largely to the GaSb (antisite) defect and other point defects in undoped GaSb substrates, intrinsic GaSb is still slightly p-type and strongly absorbs in the VLWIR. This requires backside thinning of the GaSb substrate for IR transmissivity. An extremely low n-type GaSb substrate is preferred to eliminate thinning and provide a substrate solution for backside illuminated VLWIR devices. By providing a more homogeneous radial distribution of the melt solute to suppress GaSb formation and controlling the cooling rate, ultra low doped n:GaSb has been achieved. This study examines the surface properties and IR transmission spectra of ultra low doped GaSb substrates at both room and low temperatures. Atomic force microscopy (AFM), homoepitaxy by MBE, and infrared Fourier transform (FTIR) analysis was implemented to examine material quality. As compared with standard low doped GaSb, the ultra low doped substrates show over 50% transmission and consistent wavelength transparency past 23 m with improved %T at low temperature. Homoepitaxy and AFM results indicate the ultra low doped GaSb has a low thermal desorbtion character and qualified morphology. In summary, improvements in room temperature IR transmission and extended wavelength characteristics have been shown consistently for ultra low doped n:GaSb substrates.

  20. A first principle study for the adsorption and absorption of carbon atom and the CO dissociation on Ir(100) surface

    SciTech Connect (OSTI)

    Erikat, I. A.; Hamad, B. A.

    2013-11-07

    We employ density functional theory to examine the adsorption and absorption of carbon atom as well as the dissociation of carbon monoxide on Ir(100) surface. We find that carbon atoms bind strongly with Ir(100) surface and prefer the high coordination hollow site for all coverages. In the case of 0.75 ML coverage of carbon, we obtain a bridging metal structure due to the balance between Ir–C and Ir–Ir interactions. In the subsurface region, the carbon atom prefers the octahedral site of Ir(100) surface. We find large diffusion barrier for carbon atom into Ir(100) surface (2.70 eV) due to the strong bonding between carbon atom and Ir(100) surface, whereas we find a very small segregation barrier (0.22 eV) from subsurface to the surface. The minimum energy path and energy barrier for the dissociation of CO on Ir(100) surface are obtained by using climbing image nudge elastic band. The energy barrier of CO dissociation on Ir(100) surface is found to be 3.01 eV, which is appreciably larger than the association energy (1.61 eV) of this molecule.

  1. Platinum-monolayer Electrocatalysts: Palladium Interlayer on IrCo Alloy Core Improves Activity in Oxygen-reduction Reaction

    SciTech Connect (OSTI)

    Gong, K.; Chen, W.-F.; Sasaki, K.; Su, D.; Vukmirovic, M.B.; Zhou, W.; Izzo, E.L.; Perez-Acosta, C.; Hirunsit, P.; Balbuena, P.B.; Adzic, R.R.

    2010-11-15

    We describe the synthesis and electrocatalytic properties of a new low-Pt electrocatalyst consisting of an IrCo core, a Pd interlayer, and a surface Pt monolayer, emphasizing the interlayer's role in improving electrocatalytic activity for the oxygen-reduction reaction on Pt in HClO{sub 4} solution. We prepared the IrCo alloys by decomposing, at 800 C, hexacyanometalate, KCoIr(CN){sub 6}, adsorbed on the carbon surfaces. The synthesis of Ir{sub 3}Co/C involved heating a mix of metal salts and carbon in hydrogen at 500 C. Thereafter, we placed a palladium and/or platinum monolayer on them via the galvanic displacement of an underpotentially deposited copper monolayer. The electrocatalysts were characterized using structural- and electrochemical-techniques. For PtML/PdML/IrCo/C, we observed a Pt mass activity of 1.18 A/mg{sub (Pt)} and the platinum-group-metals mass of 0.16 A/mg{sub (Pt, Pd, Ir)}. In comparison, without a Pd interlayer, i.e., Pt{sub ML}/IrCo/C, the activities of 0.15 A/mg{sub (Pt)} and 0.036 A/mg{sub (Pt, Pd, Ir)} were considerably lower. We consider that the palladium interlayer plays an essential role in achieving high catalytic activity by adjusting the electronic interaction of the platinum monolayer with the IrCo core, so that it accelerates the kinetics of adsorption and desorption of the intermediates of oxygen reduction. A similar trend was observed for Pt{sub ML}/Pd{sub ML} and Pt{sub ML} deposited on Ir{sub 3}Co/C alloy core. We used density functional theory to interpret the observed phenomena.

  2. Curing the UV/IR mixing for field theories with translation-invariant star products

    SciTech Connect (OSTI)

    Tanasa, Adrian; Vitale, Patrizia

    2010-03-15

    The ultraviolet/infrared (UV/IR) mixing of noncommutative field theories has been recently shown to be a generic feature of translation-invariant associative products. In this paper we propose to take into account the quantum corrections of the model to modify in this way the noncommutative action. This idea was already used to cure the UV/IR mixing for theories on Moyal space. We show that in the present framework also, this proposal proves successful for curing the mixing. We achieve this task by explicit calculations of one and higher loops Feynman amplitudes. For the sake of completeness, we compute the form of the new action in the matrix base for the Wick-Voros product.

  3. Structurally Integrated Coatings for Wear and Corrosion (SICWC): Arc Lamp, InfraRed (IR) Thermal Processing

    SciTech Connect (OSTI)

    Mackiewicz-Ludtka, G.; Sebright, J.

    2007-12-15

    The primary goal of this Cooperative Research and Development Agreement (CRADA) betwe1311 UT-Battelle (Contractor) and Caterpillar Inc. (Participant) was to develop the plasma arc lamp (PAL), infrared (IR) thermal processing technology 1.) to enhance surface coating performance by improving the interfacial bond strength between selected coatings and substrates; and 2.) to extend this technology base for transitioning of the arc lamp processing to the industrial Participant. Completion of the following three key technical tasks (described below) was necessary in order to accomplish this goal. First, thermophysical property data sets were successfully determined for composite coatings applied to 1010 steel substrates, with a more limited data set successfully measured for free-standing coatings. These data are necessary for the computer modeling simulations and parametric studies to; A.) simulate PAL IR processing, facilitating the development of the initial processing parameters; and B.) help develop a better understanding of the basic PAL IR fusing process fundamentals, including predicting the influence of melt pool stirring and heat tnmsfar characteristics introduced during plasma arc lamp infrared (IR) processing; Second, a methodology and a set of procedures were successfully developed and the plasma arc lamp (PAL) power profiles were successfully mapped as a function of PAL power level for the ORNL PAL. The latter data also are necessary input for the computer model to accurately simulate PAL processing during process modeling simulations, and to facilitate a better understand of the fusing process fundamentals. Third, several computer modeling codes have been evaluated as to their capabilities and accuracy in being able to capture and simulate convective mixing that may occur during PAL thermal processing. The results from these evaluation efforts are summarized in this report. The intention of this project was to extend the technology base and provide for

  4. Improved ARM-SGP TOA OLR Fluxes from GOES-8 IR Radiances Based on CERES Data

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    ARM-SGP TOA OLR Fluxes from GOES-8 IR Radiances Based on CERES Data D. R. Doelling and M. M. Khaiyer Analytical Services and Materials, Inc. Hampton, Virginia P. Minnis National Aeronautics and Space Administration Langley Research Center Hampton, Virginia Introduction The radiation budget at the top of the atmosphere (TOA) is a quantity of fundamental importance to the Atmospheric Radiation Measurement (ARM) Program. Thus, it is necessary to measure the radiation budget components, broadband

  5. An Improved Daylight Correction for IR Loss in ARM Diffuse SW Measurements

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    An Improved Daylight Correction for IR Loss in ARM Diffuse SW Measurements C. N. Long, K. Younkin, and K. L. Gaustad Pacific Northwest National Laboratory Richland, Washington J. A. Augustine National Oceanic and Atmospheric Administration Air Resources Laboratory Surface Radiation Research Branch Boulder, Colorado Introduction A paper by Cess et al. (2000) notes that some clear-sky diffuse shortwave (SW) measurements they were using from the Atmospheric Radiation Measurement (ARM) Southern

  6. Practical Analysis of materials with depth varying compositions using FT-IR photoacoustic spectroscopy (PAS)

    SciTech Connect (OSTI)

    J.F. McClelland; R.W. Jones; Siquan Luo

    2004-09-30

    FT-IR photoacoustic spectroscopy (PAS) is discussed as a nondestructive method to probe the molecular composition of materials versus depth on the basis of the analysis of layers of experimentally controllable thickness, which are measured from the sample surface to depths of some tens of micrometers, depending on optical and thermal properties. Computational methods are described to process photoacoustic amplitude and phase spectra for both semi-quantitative and quantitative depth analyses. These methods are demonstrated on layered and gradient samples.

  7. An industrial FT-IR process gas analyzer for stack gas cems analysis

    SciTech Connect (OSTI)

    Welch, G.M.; Herman, B.E.

    1995-12-31

    This paper describes utilizing Fourier Transform Infrared (FT-IR) technology to meet and exceed EPA requirements to Continuously Monitor Carbon Monoxide (CO) and Sulfur Dioxide (SO){sub 2} in an oil refinery. The application consists of Continuous Emission Monitoring (CEMS) of two stacks from a Fluid Catalytic Cracking unit (FCCU). The discussion will follow the project from initial specifications, installation, start-up, certification results (RATA, 7 day drift), Cylinder Gas Audit (CGA) and the required maintenance. FT-IR is a powerful analytical tool suitable for measurement of stack component gases required to meet CEMS regulations, and allows simultaneous multi-component analysis of complex stack gas streams with a continuous sample stream flow through the measurement cell. The Michelson Interferometer in a unique {open_quotes}Wishbone{close_quotes} design and with a special alignment control enables standardized configuration of the analyzer for flue gas analysis. Normal stack gas pollutants: NO{sub x}, SO{sub 2}, and CO; as well as water soluble pollutants such as NH{sub 3} and HCI may be accurately determined and reported even in the presence of 0-31 Vol % water vapor concentrations (hot and wet). This FT-IR analyzer has been operating with EPA Certification in an oil refinery environment since September 1994.

  8. The first photometric analysis of the near contact binary IR Cas

    SciTech Connect (OSTI)

    Li, Kai; Hu, S.-M.; Guo, D.-F.; Jiang, Y.-G.; Gao, D.-Y.; Chen, X. E-mail: likai@ynao.ac.cn E-mail: difu@sdu.edu.cn

    2014-11-01

    The first photometric analysis of IR Cas was carried out based on the new observed BVRI light curves. The symmetric light curves and nearly flat secondary minimum indicate that very precise photometric results can be determined. We found that IR Cas is a near contact binary with the primary component filling its Roche lobe. An analysis of the O – C diagram based on all available times of minimum light reveals evidence for a periodic change with a semi-amplitude of 0.0153 days and a period of 39.7 yr superimposed on a secular decrease at a rate of dp/dt = –1.28(± 0.09) × 10{sup –7} days yr{sup –1}. The most reasonable explanation for the periodic change is the light time-travel effect due to a third body. The period decrease may be caused by mass transfer from the primary component to the secondary. With the decreasing period, IR Cas would eventually evolve into a contact system.

  9. NGC 7538 IRS. 1. Interaction of a polarized dust spiral and a molecular outflow

    SciTech Connect (OSTI)

    Wright, M. C. H.; Hull, Charles L. H. [Department of Astronomy, University of California, Berkeley, CA 94720 (United States); Pillai, Thushara [Max Planck Institut fr Radioastronomie, Auf dem Hgel 69, D-53121 Bonn (Germany); Zhao, Jun-Hui [Harvard-Smithsonian Center for Astrophysics, 60 Garden Street, Cambridge, MA 02138 (United States); Sandell, Gran, E-mail: jzhao@cfa.harvard.edu [SOFIA-USRA, NASA Ames Research Center, MS 232-12, Building N232, Room 146, PO Box 1, Moffett Field, CA 94035-0001 (United States)

    2014-12-01

    We present dust polarization and CO molecular line images of NGC 7538 IRS 1. We combined data from the Submillimeter Array, the Combined Array for Research in Millimeter-wave Astronomy, and the James Clerk Maxwell Telescope to make images with ?2.''5 resolution at 230 and 345 GHz. The images show a remarkable spiral pattern in both the dust polarization and molecular outflow. These data dramatically illustrate the interplay between a high infall rate onto IRS 1 and a powerful outflow disrupting the dense, clumpy medium surrounding the star. The images of the dust polarization and the CO outflow presented here provide observational evidence for the exchange of energy and angular momentum between the infall and the outflow. The spiral dust pattern, which rotates through over 180 from IRS 1, may be a clumpy filament wound up by conservation of angular momentum in the infalling material. The redshifted CO emission ridge traces the dust spiral closely through the MM dust cores, several of which may contain protostars. We propose that the CO maps the boundary layer where the outflow is ablating gas from the dense gas in the spiral.

  10. Mid-IR laser action in the H{sub 3} Rydberg molecule and some possible astrophysical implications

    SciTech Connect (OSTI)

    Saykally, Richard J.

    2015-01-22

    Mid-IR lasing has been observed in supersonic plasmas and assigned to d to p transitions in tri-atomic hydrogen Rydberg states. Possible astrophysical implications are discussed.

  11. Role of the antiferromagnetic pinning layer on spin wave properties in IrMn/NiFe based spin-valves

    SciTech Connect (OSTI)

    Gubbiotti, G. Tacchi, S.; Del Bianco, L.; Bonfiglioli, E.; Giovannini, L.; Spizzo, F.; Zivieri, R.; Tamisari, M.

    2015-05-07

    Brillouin light scattering (BLS) was exploited to study the spin wave properties of spin-valve (SV) type samples basically consisting of two 5 nm-thick NiFe layers (separated by a Cu spacer of 5 nm), differently biased through the interface exchange coupling with an antiferromagnetic IrMn layer. Three samples were investigated: a reference SV sample, without IrMn (reference); one sample with an IrMn underlayer (10 nm thick) coupled to the bottom NiFe film; one sample with IrMn underlayer and overlayer of different thickness (10 nm and 6 nm), coupled to the bottom and top NiFe film, respectively. The exchange coupling with the IrMn, causing the insurgence of the exchange bias effect, allowed the relative orientation of the NiFe magnetization vectors to be controlled by an external magnetic field, as assessed through hysteresis loop measurements by magneto-optic magnetometry. Thus, BLS spectra were acquired by sweeping the magnetic field so as to encompass both the parallel and antiparallel alignment of the NiFe layers. The BLS results, well reproduced by the presented theoretical model, clearly revealed the combined effects on the spin dynamic properties of the dipolar interaction between the two NiFe films and of the interface IrMn/NiFe exchange coupling.

  12. Transition from the infalling envelope to the Keplerian disk around L1551 IRS 5

    SciTech Connect (OSTI)

    Chou, Ti-Lin [Department of Physics, National Taiwan University, No. 1, Sec. 4, Roosevelt Road, Taipei 106, Taiwan (China); Takakuwa, Shigehisa; Yen, Hsi-Wei; Ohashi, Nagayoshi; Ho, Paul T. P., E-mail: tlchou@asiaa.sinica.edu.tw [Academia Sinica Institute of Astronomy and Astrophysics, P. O. Box 23-141, Taipei 10617, Taiwan (China)

    2014-11-20

    We present combined Submillimeter Array (SMA) +Atacama Submillimeter Telescope Experiment (ASTE) images of the Class I protobinary L1551 IRS 5 in the CS (J = 7-6) line, the submillimeter images of L1551 IRS 5 with the most complete spatial sampling ever achieved (0.''9-36''). The SMA image of L1551 IRS 5 in the 343 GHz dust-continuum emission is also presented, which shows an elongated feature along the northwest to southeast direction (?160 AU 80 AU), perpendicular to the associated radio jets. The combined SMA+ASTE images show that the high-velocity (?1.5 km s{sup 1}) CS emission traces the structure of the dust component and shows a velocity gradient along the major axis, which is reproduced by a geometrically thin Keplerian-disk model with a central stellar mass of ?0.5 M {sub ?}. The low-velocity (?1.3 km s{sup 1}) CS emission shows an extended (?1000 AU) feature that exhibits slight south (blueshifted) to north (redshifted) emission offsets, which is modeled with a rotating and infalling envelope with a conserved angular momentum. The rotational motion of the envelope connects smoothly to the inner Keplerian rotation at a radius of ?64 AU. The infalling velocity of the envelope is ?three times lower than the free-fall velocity toward the central stellar mass of 0.5 M {sub ?}. These results demonstrate transition from the infalling envelope to the Keplerian disk, consistent with the latest theoretical studies of disk formation. We suggest that sizable (r ? 50-200 AU) Keplerian disks are already formed when the protostars are still deeply embedded in the envelopes.

  13. Phase-matched generation of coherent soft and hard X-rays using IR lasers

    DOE Patents [OSTI]

    Popmintchev, Tenio V.; Chen, Ming-Chang; Bahabad, Alon; Murnane, Margaret M.; Kapteyn, Henry C.

    2013-06-11

    Phase-matched high-order harmonic generation of soft and hard X-rays is accomplished using infrared driving lasers in a high-pressure non-linear medium. The pressure of the non-linear medium is increased to multi-atmospheres and a mid-IR (or higher) laser device provides the driving pulse. Based on this scaling, also a general method for global optimization of the flux of phase-matched high-order harmonic generation at a desired wavelength is designed.

  14. Simulations of the infrared, Raman, and 2D-IR photon echo spectra of water in nanoscale silica pores

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Burris, Paul C.; Laage, Damien; Thompson, Ward H.

    2016-05-20

    Vibrational spectroscopy is frequently used to characterize nanoconfined liquids and probe the effect of the confining framework on the liquid structure and dynamics relative to the corresponding bulk fluid. However, it is still unclear what molecular-level information can be obtained from such measurements. In this Paper, we address this question by using molecular dynamics (MD) simulations to reproduce the linear infrared (IR), Raman, and two-dimensional IR (2D-IR) photon echo spectra for water confined within hydrophilic (hydroxyl-terminated) silica mesopores. To simplify the spectra the OH stretching region of isotopically dilute HOD in D2O is considered. An empirical mapping approach is usedmore » to obtain the OH vibrational frequencies, transition dipoles, and transition polarizabilities from the MD simulations. The simulated linear IR and Raman spectra are in good general agreement with measured spectra of water in mesoporous silica reported in the literature. The key effect of confinement on the water spectrum is a vibrational blueshift for OH groups that are closest to the pore interface. The blueshift can be attributed to the weaker hydrogen bonds (H-bonds) formed between the OH groups and silica oxygen acceptors. Non-Condon effects greatly diminish the contribution of these OH moieties to the linear IR spectrum, but these weaker H-bonds are readily apparent in the Raman spectrum. The 2D-IR spectra have not yet been measured and thus the present results represent a prediction. Lastly, the simulated spectra indicate that it should be possible to probe the slower spectral diffusion of confined water compared to the bulk liquid by analysis of the 2D-IR spectra.« less

  15. Sonic IR crack detection of aircraft turbine engine blades with multi-frequency ultrasound excitations

    SciTech Connect (OSTI)

    Zhang, Ding; Han, Xiaoyan; Newaz, Golam

    2014-02-18

    Effectively and accurately detecting cracks or defects in critical engine components, such as turbine engine blades, is very important for aircraft safety. Sonic Infrared (IR) Imaging is such a technology with great potential for these applications. This technology combines ultrasound excitation and IR imaging to identify cracks and flaws in targets. In general, failure of engine components, such as blades, begins with tiny cracks. Since the attenuation of the ultrasound wave propagation in turbine engine blades is small, the efficiency of crack detection in turbine engine blades can be quite high. The authors at Wayne State University have been developing the technology as a reliable tool for the future field use in aircraft engines and engine parts. One part of the development is to use finite element modeling to assist our understanding of effects of different parameters on crack heating while experimentally hard to achieve. The development has been focused with single frequency ultrasound excitation and some results have been presented in a previous conference. We are currently working on multi-frequency excitation models. The study will provide results and insights of the efficiency of different frequency excitation sources to foster the development of the technology for crack detection in aircraft engine components.

  16. Graphene oxide/carbon nanoparticle thin film based IR detector: Surface properties and device characterization

    SciTech Connect (OSTI)

    Chowdhury, Farzana Aktar; Hossain, Mohammad Abul; Uchida, Koji; Tamura, Takahiro; Sugawa, Kosuke; Mochida, Tomoaki; Otsuki, Joe; Mohiuddin, Tariq; Boby, Monny Akter; Alam, Mohammad Sahabul

    2015-10-15

    This work deals with the synthesis, characterization, and application of carbon nanoparticles (CNP) adorned graphene oxide (GO) nanocomposite materials. Here we mainly focus on an emerging topic in modern research field presenting GO-CNP nanocomposite as a infrared (IR) radiation detector device. GO-CNP thin film devices were fabricated from liquid phase at ambient condition where no modifying treatments were necessary. It works with no cooling treatment and also for stationary objects. A sharp response of human body IR radiation was detected with time constants of 3 and 36 sec and radiation responsivity was 3 mAW{sup −1}. The current also rises for quite a long time before saturation. This work discusses state-of-the-art material developing technique based on near-infrared photon absorption and their use in field deployable instrument for real-world applications. GO-CNP-based thin solid composite films also offer its potentiality to be utilized as p-type absorber material in thin film solar cell, as well.

  17. Laser separation of nitrogen isotopes by the IR+UV dissociation of ammonia molecules

    SciTech Connect (OSTI)

    Apatin, V M; Klimin, S A; Laptev, V B; Lokhman, V N; Ogurok, D D; Pigul'skii, S V; Ryabov, E A

    2008-08-31

    The separation of nitrogen isotopes is studied upon successive single-photon IR excitation and UV dissociation of ammonia molecules. The excitation selectivity was provided by tuning a CO{sub 2} laser to resonance with {sup 14}NH{sub 3} molecules [the 9R(30) laser line] or with {sup 15}NH{sub 3} molecules [the 9R(10) laser line]. Isotopic mixtures containing 4.8% and 0.37% (natural content) of the {sup 15}NH isotope were investigated. The dependences of the selectivity and the dissociation yield for each isotopic component on the buffer gas pressure (N{sub 2}, O{sub 2}, Ar) and the ammonia pressure were obtained. In the limit of low NH{sub 3} pressures (0.5-2 Torr), the dissociation selectivity {alpha}(15/14) for {sup 15}N was 17. The selectivity mechanism of the IR+UV dissociation is discussed and the outlook is considered for the development of the nitrogen isotope separation process based on this approach. (laser isotope separation)

  18. Synthesis, phase relationship and crystal structure of the new binary compound Ir{sub 13}Al{sub 45}

    SciTech Connect (OSTI)

    Bostroem, Magnus . E-mail: bostroem@cpfs.mpg.de; Niewa, Rainer; Prots, Yurii; Grin, Yuri

    2005-01-15

    The new phase Ir{sub 13}Al{sub 45} was synthesized in equilibrium with an aluminum-rich melt. Its crystal structure was established from single-crystal diffraction data. The compound crystallizes in the space group Pnma and represents a novel structure type (Pearson symbol oP232, a=16.760(2)A, b=12.321(1)A, c=17.425(2)A). The structure can essentially be described as a simple hexagonal column packing of pseudopentagonal columns formed by irregular Al polyhedra centered by Ir atoms. Ir{sub 13}Al{sub 45} forms peritectically at 895 deg. C and exists in equilibrium with the melt in a narrow temperature interval of 19 deg. C.

  19. Structure symmetry determination and magnetic evolution in Sr2Ir1–xRhxO4

    SciTech Connect (OSTI)

    Ye, Feng; Wang, Xiaoping; Hoffmann, Christina; Wang, Jinchen; Chi, Songxue; Matsuda, Masaaki; Chakoumakos, Bryan C.; Fernandez-Baca, Jaime A.; Cao, Gang

    2015-11-23

    We use single-crystal neutron diffraction to determine the crystal structure symmetry and to study the magnetic evolution in the rhodium doped iridates Sr2Ir1–xRhxO4 (0 ≤ x ≤ 0.16). Throughout this doping range, the crystal structure retains a tetragonal symmetry (space group I41/a) with two distinct magnetic Ir sites in the unit cell forming staggered IrO6 rotation. Upon Rh doping, the magnetic order is suppressed and the magnetic moment of Ir4+ is reduced from 0.21 μB/Ir for x = 0 to 0.18 μB/Ir for x = 0.12. As a result, the magnetic structure at x = 0.12 is different from that of the parent compound while the moments remain in the basal plane.

  20. On the Relative Utility of Infrared (IR) versus Terahertz (THz) for Optical Sensors

    SciTech Connect (OSTI)

    Johnson, Timothy J.; Valentine, Nancy B.; Gassman, Paul L.; Atkinson, David A.; Sharpe, Steven W.; Williams, Stephen D.

    2007-11-30

    Pacific Northwest National Laboratory (PNNL) has active programs investigating the optical absorption strengths of several types of molecules including toxic industrial chemicals (TICs), microbiological threats such as bacteria, as well as explosives such as RDX, PETN and TNT. While most of our work has centered on the mid-infrared domain (600 to 6,500 cm-1), more recent work has also included work in the far-infrared, also called the terahertz (THz) region (500 to ~8 cm-1). Using Fourier transform infrared spectroscopy, we have been able to compare the relative, and in some cases absolute, IR/THz cross sections of a number of species in the solid and liquid phases. The relative band strengths of a number of species of interest are discussed in terms of both experimental and computational results.

  1. Effect of Field Errors in Muon Collider IR Magnets on Beam Dynamics

    SciTech Connect (OSTI)

    Alexahin, Y.; Gianfelice-Wendt, E.; Kapin, V.V.; /Fermilab

    2012-05-01

    In order to achieve peak luminosity of a Muon Collider (MC) in the 10{sup 35} cm{sup -2}s{sup -1} range very small values of beta-function at the interaction point (IP) are necessary ({beta}* {le} 1 cm) while the distance from IP to the first quadrupole can not be made shorter than {approx}6 m as dictated by the necessity of detector protection from backgrounds. In the result the beta-function at the final focus quadrupoles can reach 100 km making beam dynamics very sensitive to all kind of errors. In the present report we consider the effects on momentum acceptance and dynamic aperture of multipole field errors in the body of IR dipoles as well as of fringe-fields in both dipoles and quadrupoles in the ase of 1.5 TeV (c.o.m.) MC. Analysis shows these effects to be strong but correctable with dedicated multipole correctors.

  2. In Situ Diffuse Reflectance IR Spectroscopy and X-ray Absorption Spectroscopy for Fast Catalytic Processes

    SciTech Connect (OSTI)

    N Marinkovic; Q Wang; A Frenkel

    2011-12-31

    A new instrument for synchronous in situ investigations of catalytic materials by IR and X-ray absorption spectroscopies was designed and built at the X18A beamline of the National Synchrotron Light Source of Brookhaven National Laboratory. It provides analytical tools for solving structural, electronic and kinetic problems in catalysis science by two complementary methods. Among the features attractive for catalysis research are the broad range of catalytically active elements that can be investigated (starting with Ni and beyond), the wide range of reaction conditions (temperatures up to 873 K, various reactive gases) and time scales (starting from tens of seconds). The results of several representative experiments that illustrate the attractive capabilities of the new set-up are discussed.

  3. DESIGN AND CONSTRUCTION OF A 15 T, 120 MM BORE IR QUADRUPOLE MAGNET FOR LARP

    SciTech Connect (OSTI)

    Caspi, S.; Cheng, D.; Dietderich, D.; Felice, H.; Ferracin, P.; Hafalia, R.; Hannaford, R.; Sabbi, G. S.; Anerella, M.; Ghosh, A.; Schmalzle, J.; Wanderer, P.; Ambrosio, G.; Bossert, R.; Kashikhin, V.; Pasholk, D.; Zlobin, A.

    2009-05-04

    Pushing accelerator magnets beyond 10 T holds a promise of future upgrades to machines like the Large Hadron Collider (LHC) at CERN. Nb{sub 3}Sn conductor is at the present time the only practical superconductor capable of generating fields beyond 10 T. In support of the LHC Phase-II upgrade, the US LHC Accelerator Research Program (LARP) is developing a large bore (120 mm) IR quadrupole (HQ) capable of reaching 15 T at its conductor peak field and a peak gradient of 219 T/m at 1.9 K. While exploring the magnet performance limits in terms of gradient, forces and stresses the 1 m long two-layer coil will demonstrate additional features such as alignment and accelerator field quality. In this paper we summarize the design and report on the magnet construction progress.

  4. In-situ FT-IR diagnostics for monitoring and control of fossil fuel combustion

    SciTech Connect (OSTI)

    Bonanno, A.S.; Wojtowicz, M.A.; Serio, M.A.; Nelson, C.M.; Solomon, P.R.

    1995-12-31

    This paper describes the development and testing of a prototype fourier transform infrared (FT-IR) based measurement system for continuous emission monitoring (CEM) and process control in fossil fuel-fired power plants. On several occasions, prototype systems have been transported and assembled at full-scale and pilot-scale fossil fuel-fired combustors. The in-situ version of the prototype is able to measure NH{sub 3} and HCl concentrations, which are difficult to measure extractively, as well as CO, CO{sub 2}, NO{sub x}, H{sub 2}O, and SO{sub x} concentrations. The results of recent tests will be presented which involve in-situ monitoring of selective non-catalytic reduction (SNCR) of NO{sub x} based on simultaneous measurement of NO, NH{sub 3} and CO.

  5. Interaction of mineral surfaces with simple organci molecules by diffuse reflectance IR spectroscopy (DRIFT)

    SciTech Connect (OSTI)

    Joan Thomas; Michael Kelley

    2007-06-18

    Diffuse reflectance Fourier-transform infrared spectroscopy (DRIFTS) was used to characterize multi-layers of lysine, glutamic acid and salicylic acid on ?-alumina and kaolinite surfaces. The results agreed well with those previously obtained by ATR-IR in aqueous media where available, indicating that DRIFT may be regarded as effectively an in-situ spectroscopy for these materials. In the case of salicylic acid adsorption onto ?-alumina, DRIFTS was used to identify monolayer coverage and to detect molecules down to coverage of 3% of a monolayer. The spectroscopic results as to coverage were confirmed by analysis of the solutions used for treatment. The spectra obtained allowed identification of changes in the bonding environment with increasing surface coverage. DRIFTS, offers several advantages in terms of materials, experimental technique and data treatment, motivating further investigations.

  6. Graphene-silicon layered structures on single-crystalline Ir(111) thin films

    SciTech Connect (OSTI)

    Que, Yande D.; Tao, Jing; Zhang, Yong; Wang, Yeliang L.; Wu, Lijun J.; Zhu, Yimei M.; Kim, Kisslinger; Weinl, Michael; Schreck, Matthias; Shen, Chengmin M.; Du, Shixuan X.; Liu, Yunqi Q.; Gao, H. -J.; Huang, Li; Xu, Wenyan Y.

    2015-01-20

    Epitaxial growth of graphene on transition metal crystals, such as Ru,⁽¹⁻³⁾ Ir,⁽⁴⁻⁶⁾ and Ni,⁽⁷⁾ provides large-area, uniform graphene layers with controllable defect density, which is crucial for practical applications in future devices. To decrease the high cost of single-crystalline metal bulks, single-crystalline metal films are strongly suggested as the substrates for epitaxial growth large-scale high-quality graphene.⁽⁸⁻¹⁰⁾ Moreover, in order to weaken the interactions of graphene with its metal host, which may result in a suppression of the intrinsic properties of graphene,⁽¹¹ ¹²⁾ the method of element intercalation of semiconductors at the interface between an epitaxial graphene layer and a transition metal substrate has been successfully realized.⁽¹³⁻¹⁶⁾

  7. Graphene-silicon layered structures on single-crystalline Ir(111) thin films

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Que, Yande D.; Tao, Jing; Zhang, Yong; Wang, Yeliang L.; Wu, Lijun J.; Zhu, Yimei M.; Kim, Kisslinger; Weinl, Michael; Schreck, Matthias; Shen, Chengmin M.; et al

    2015-01-20

    Epitaxial growth of graphene on transition metal crystals, such as Ru,⁽¹⁻³⁾ Ir,⁽⁴⁻⁶⁾ and Ni,⁽⁷⁾ provides large-area, uniform graphene layers with controllable defect density, which is crucial for practical applications in future devices. To decrease the high cost of single-crystalline metal bulks, single-crystalline metal films are strongly suggested as the substrates for epitaxial growth large-scale high-quality graphene.⁽⁸⁻¹⁰⁾ Moreover, in order to weaken the interactions of graphene with its metal host, which may result in a suppression of the intrinsic properties of graphene,⁽¹¹ ¹²⁾ the method of element intercalation of semiconductors at the interface between an epitaxial graphene layer and a transitionmore » metal substrate has been successfully realized.⁽¹³⁻¹⁶⁾« less

  8. Ternary Electrocatalysts for Oxidizing Ethanol to Carbon Dioxide: Making Ir Capable of Splitting C-C bond

    SciTech Connect (OSTI)

    Li, Meng; Cullen, David A; Sasaki, Kotaro; Marinkovic, N.; More, Karren Leslie; Adzic, Radoslav R.

    2013-01-01

    Splitting the C-C bond is the main obstacle to electroxidation of ethanol (EOR) to CO2. We recently demonstrated that the ternary PtRhSnO2 electrocatalyst can accomplish that reaction at room temperature with Rh having a unique capability to split the C-C bond. In this article we report the finding that Ir can be induced to split the C-C bond as a component of the ternary catalyst. We synthesized, characterized and compared the properties of several ternary electrocatalysts. Carbon-supported nanoparticle (NP) electrocatalysts comprising a SnO2 NP core decorated with multi-metallic nanoislands (MM = PtIr, PtRh, IrRh, PtIrRh) were prepared using a seeded growth approach. An array of characterization techniques were employed to establish the composition and architecture of the synthesized MM /SnO2 NPs, while electrochemical and in situ infrared reflection absorption spectroscopy studies elucidated trends in activity and the nature of the reaction intermediates and products. Both EOR reactivity and selectivity towards CO2 formation of several of these MM /SnO2/C electrocatalysts are significantly higher compared to conventional Pt/C and Pt/SnO2/C catalysts. We demonstrate that the PtIr/SnO2/C catalyst with high Ir content shows outstanding catalytic property with the most negative EOR onset potential and reasonably good selectivity towards ethanol complete oxidation to CO2. PtRh/SnO2/C catalysts with a moderate Rh content exhibit the highest EOR selectivity, as deduced from infrared studies.

  9. Spitzer mid-IR spectroscopy of powerful 2Jy and 3CRR radio galaxies. II. AGN power indicators and unification

    SciTech Connect (OSTI)

    Dicken, D.; Tadhunter, C.; Morganti, R.; Axon, D.; Robinson, A.; Magagnoli, M.; Kharb, P.; Ramos Almeida, C.; Hardcastle, M.; Nesvadba, N. P. H.; Singh, V.; Kouwenhoven, M. B. N.; Rose, M.; Spoon, H.; Inskip, K. J.; Holt, J.

    2014-06-20

    It remains uncertain which continuum and emission line diagnostics best indicate the bolometric powers of active galactic nuclei (AGNs), especially given the attenuation caused by the circumnuclear material and the possible contamination by components related to star formation. Here we use mid-IR spectra along with multiwavelength data to investigate the merit of various diagnostics of AGN radiative power, including the mid-IR [Ne III] ?25.89 ?m and [O IV] ?25.89 ?m fine-structure lines, the optical [O III] ?5007 forbidden line, and mid-IR 24 ?m, 5 GHz radio, and X-ray continuum emission, for complete samples of 46 2Jy radio galaxies (0.05 < z < 0.7) and 17 3CRR FRII radio galaxies (z < 0.1). We find that the mid-IR [O IV] line is the most reliable indicator of AGN power for powerful radio-loud AGNs. By assuming that the [O IV] is emitted isotropically, and comparing the [O III] and 24 ?m luminosities of the broad- and narrow-line AGNs in our samples at fixed [O IV] luminosity, we show that the [O III] and 24 ?m emission are both mildly attenuated in the narrow-line compared to the broad-line objects by a factor of ?2. However, despite this attenuation, the [O III] and 24 ?m luminosities are better AGN power indicators for our sample than either the 5 GHz radio or the X-ray continuum luminosities. We also detect the mid-IR 9.7 ?m silicate feature in the spectra of many objects but not ubiquitously: at least 40% of the sample shows no clear evidence for these features. We conclude that, for the majority of powerful radio galaxies, the mid-IR lines are powered by AGN photoionization.

  10. Study of 2-in1 large-aperture Nb3Sn IR quadrupoles for the LHC luminosity upgrade

    SciTech Connect (OSTI)

    Kashikhin, V.V.; Zlobin, A.V.; /Fermilab

    2006-06-01

    Double-aperture Nb{sub 3}Sn quadrupoles with asymmetric coils and with cold and warm iron yokes were studied for the dipole-first upgrade scenario of the LHC Interaction Regions (IR). This paper describes the magnet design concepts and discusses their performance parameters, including field gradient and field quality limitations.

  11. Nature of the insulating ground state of the 5d postperovskite CaIrO3

    SciTech Connect (OSTI)

    Kim, Sun -Woo; Liu, Chen; Kim, Hyun -Jung; Lee, Jun -Ho; Yao, Yongxin; Ho, Kai -Ming; Cho, Jun -Hyung

    2015-08-26

    In this study, the insulating ground state of the 5d transition metal oxide CaIrO3 has been classified as a Mott-type insulator. Based on a systematic density functional theory (DFT) study with local, semilocal, and hybrid exchange-correlation functionals, we reveal that the Ir t2g states exhibit large splittings and one-dimensional electronic states along the c axis due to a tetragonal crystal field. Our hybrid DFT calculation adequately describes the antiferromagnetic (AFM) order along the c direction via a superexchange interaction between Ir4+ spins. Furthermore, the spin-orbit coupling (SOC) hybridizes the t2g states to open an insulating gap. These results indicate that CaIrO3 can be represented as a spin-orbit Slater insulator, driven by the interplay between a long-range AFM order and the SOC. Such a Slater mechanism for the gap formation is also demonstrated by the DFT + dynamical mean field theory calculation, where the metal-insulator transition and the paramagnetic to AFM phase transition are concomitant with each other.

  12. Kondo-lattice behavior and multiple characteristic temperatures in CeIr{sub 2}Ge{sub 2}

    SciTech Connect (OSTI)

    Mallik, R.; Sampathkumaran, E.V.; Paulose, P.L.; Dumschat, J.; Wortmann, G.

    1997-02-01

    The results of electrical-resistivity {rho} measurements (1.4{endash}300 K) on the alloys, Ce{sub 1{minus}x}La{sub x}Ir{sub 2}Ge{sub 2} (0{le}x{le}1), CeIr{sub 2{minus}x}(Rh,Pt){sub x}Ge{sub 2} (x=0.2 and 0.4), and CeIr{sub 2}Ge{sub 2{minus}x}(Si,Sn){sub x} (x=0.2 and 0.4), are reported in order to understand the Kondo effect in CeIr{sub 2}Ge{sub 2}. There is a significant decrease in {rho} as the temperature is lowered from 100 to 4.2 K for x = 0.0. This feature disappears for a small replacement of Ce by La (x = 0.3), thereby resulting in a single-ion Kondo effect for higher values of x. This finding establishes that the temperature T{sub coh}, characterizing the coherent scattering among the Kondo centers for x=0 is as large as about 100 K. The coherent scattering is not destroyed by small substitutions at the Ir or Ge site. The observed sensitivity of this coherence effect to a small disruption of Ce sublattice periodicity alone by La substitution is uncommon among trivalent Ce alloys. Such a large T{sub coh} value enables us to emphasize the need to invoke three characteristic temperatures for nonmagnetic Kondo lattices. {copyright} {ital 1997} {ital The American Physical Society}

  13. Wrinkles of graphene on Ir(111): Macroscopic network ordering and internal multi-lobed structure

    SciTech Connect (OSTI)

    Petrovic, Marin; Sadowski, Jerzy T.; Siber, Antonio; Kralj, Marko

    2015-07-17

    The large-scale production of graphene monolayer greatly relies on epitaxial samples which often display stress-relaxation features in the form of wrinkles. Wrinkles of graphene on Ir(111) are found to exhibit a fairly well ordered interconnecting network which is characterized by low-energy electron microscopy (LEEM). The high degree of quasi-hexagonal network arrangement for the graphene aligned to the underlying substrate can be well described as a (non-Poissonian) Voronoi partition of a plane. The results obtained strongly suggest that the wrinkle network is frustrated at low temperatures, retaining the order inherited from elevated temperatures when the wrinkles interconnect in junctions which most often join three wrinkles. Such frustration favors the formation of multi-lobed wrinkles which are found in scanning tunneling microscopy (STM) measurements. The existence of multiple lobes is explained within a model accounting for the interplay of the van der Waals attraction between graphene and iridium and bending energy of the wrinkle. The presented study provides new insights into wrinkling of epitaxial graphene and can be exploited to further expedite its application.

  14. Wrinkles of graphene on Ir(111): Macroscopic network ordering and internal multi-lobed structure

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Petrovic, Marin; Sadowski, Jerzy T.; Siber, Antonio; Kralj, Marko

    2015-07-17

    The large-scale production of graphene monolayer greatly relies on epitaxial samples which often display stress-relaxation features in the form of wrinkles. Wrinkles of graphene on Ir(111) are found to exhibit a fairly well ordered interconnecting network which is characterized by low-energy electron microscopy (LEEM). The high degree of quasi-hexagonal network arrangement for the graphene aligned to the underlying substrate can be well described as a (non-Poissonian) Voronoi partition of a plane. The results obtained strongly suggest that the wrinkle network is frustrated at low temperatures, retaining the order inherited from elevated temperatures when the wrinkles interconnect in junctions which mostmore » often join three wrinkles. Such frustration favors the formation of multi-lobed wrinkles which are found in scanning tunneling microscopy (STM) measurements. The existence of multiple lobes is explained within a model accounting for the interplay of the van der Waals attraction between graphene and iridium and bending energy of the wrinkle. The presented study provides new insights into wrinkling of epitaxial graphene and can be exploited to further expedite its application.« less

  15. Quantitative IR Spectrum and Vibrational Assignments for Glycolaldehyde Vapor: Glycolaldehyde Measurements in Biomass Burning Plumes

    SciTech Connect (OSTI)

    Johnson, Timothy J.; Sams, Robert L.; Profeta, Luisa T.; Akagi, Sheryl; Burling, Ian R.; Yokelson, Robert J.; Williams, Stephen D.

    2013-04-15

    Glycolaldehyde (GA, 2-hydroxyethanal, C2H4O2) is a semi-volatile molecule of atmospheric importance, recently proposed as a precursor in the formation of aqueous-phase secondary organic aerosol (SOA). There are few methods to measure glycolaldehyde vapor, but infrared spectroscopy has been used successfully. Using vetted protocols we have completed the first assignment of all fundamental vibrational modes and derived quantitative IR absorption band strengths using both neat and pressure-broadened GA vapor. Even though GA is problematic due to its propensity to both dimerize and condense, our intensities agree well with the few previously published values. Using the reference ?10 band Q-branch at 860.51 cm-1, we have also determined GA mixing ratios in biomass burning plumes generated by field and laboratory burns of fuels from the southeastern and southwestern United States, including the first field measurements of glycolaldehyde in smoke. The GA emission factors were anti-correlated with modified combustion efficiency confirming release of GA from smoldering combustion. The GA emission factors (g of GA emitted per kg dry biomass burned on a dry mass basis) had a low dependence on fuel type consistent with the production mechanism being pyrolysis of cellulose. GA was emitted at 0.23 0.13% of CO from field fires and we calculate that it accounts for ~18% of the aqueous-phase SOA precursors that we were able to measure.

  16. A car-borne highly sensitive near-IR diode-laser methane detector

    SciTech Connect (OSTI)

    Berezin, A G; Ershov, Oleg V; Shapovalov, Yu P

    2003-08-31

    A highly sensitive automated car-borne detector for measuring methane concentration in real time is designed, developed and tested under laboratory and field conditions. Measurements were made with the help of an uncooled tunable near-IR 1.65-{mu}m laser diode. The detector consists of a multipass optical cell with a 45-m long optical path and a base length of 0.5 m. The car-borne detector is intended for monitoring the methane concentration in air from the moving car to reveal the leakage of domestic gas. The sensitivity limit (standard deviation) under field conditions is 1 ppm (20 ppb under laboratory conditions) for a measuring time of 0.4 s. The measuring technique based on the detection of a single methane line ensured a high selectivity of methane detector relative to other gases. The methane detector can be easily modified for measuring other simple-molecule gases (e.g., CO, CO{sub 2}, HF, NO{sub 2}, H{sub 2}O) by replacing the diode laser and varying the parameters of the control program. (special issue devoted to the memory of academician a m prokhorov)

  17. Structural, electronic and magnetic properties of the series of double perovskites (Ca,Sr){sub 2?x}La{sub x}FeIrO{sub 6}

    SciTech Connect (OSTI)

    Bufaial, L.; Adriano, C.; Lora-Serrano, R.; Duque, J.G.S.; Mendona-Ferreira, L.; Rojas-Ayala, C.; Baggio-Saitovitch, E.; Bittar, E.M.; Pagliuso, P.G.

    2014-04-01

    Polycrystalline samples of the series of double perovskites Sr{sub 2?x}La{sub x}FeIrO{sub 6} were synthesized. Their structural, electronic and magnetic properties were investigated by X-ray powder diffraction, Mssbauer spectroscopy, magnetic susceptibility, heat capacity and electrical resistivity experiments. The compounds crystallize in a monoclinic structure and were fitted in space group P2{sub 1}/n, with a significant degree of Fe/Ir cationic disorder. As in Ca{sub 2?x}La{sub x}FeIrO{sub 6} the Sr-based system seems to evolve from an antiferromagnetic ground state for the end members (x=0.0 and x=2.0) to a ferrimagnetic order in the intermediate regions (x?1). Since Mssbauer spectra indicate that Fe valence remains 3+ with doping, this tendency of change in the nature of the microscopic interaction could be attributed to Ir valence changes, induced by La{sup 3+} electrical doping. Upon comparing both Ca and Sr series, Sr{sub 2?x}La{sub x}FeIrO{sub 6} is more structurally homogenous and presents higher magnetization and transition temperatures. Magnetic susceptibility measurements at high temperatures on Sr{sub 1.2}La{sub 0.8}FeIrO{sub 6} indicate a very high ferrimagnetic Curie temperature T{sub C}?700K. For the Sr{sub 2}FeIrO{sub 6} compound, electrical resistivity experiments under applied pressure suggest that this material might be a Mott insulator. - Graphical abstract: The Weiss constant as a function of La doping for the (Ca,Sr){sub 2?x}La{sub x}FeIrO{sub 6} series, indicating changes in FeIr magnetic coupling on both families. - Highlights: The double perovskite series (Ca,Sr){sub 2?x}La{sub x}FeIrO{sub 6} were synthesized. Changes in the Fe-Ir magnetic coupling due to La doping on both series. Evidence of high T{sub C} on Sr{sub 1.2}La{sub 0.8}FeIrO{sub 6}. Indication of Mott insulator behavior on Sr{sub 2}FeIrO{sub 6}.

  18. Thermonuclear supernovae: probing magnetic fields by positrons and late-time IR line profiles

    SciTech Connect (OSTI)

    Penney, R.; Hoeflich, P. E-mail: rpenney@g.clemson.edu

    2014-11-01

    We show the importance of γ and positron transport for the formation of late-time spectra in Type Ia supernovae (SNe Ia). The goal is to study the imprint of magnetic fields (B) on late-time IR line profiles, particularly the [Fe II] feature at 1.644 μm, which becomes prominent two to three months after the explosion. As a benchmark, we use the explosion of a Chandrasekhar mass (M {sub Ch}) white dwarf (WD) and, specifically, a delayed detonation model that can reproduce the light curves and spectra for a Branch-normal SN Ia. We assume WDs with initial magnetic surface fields between 1 and 10{sup 9} G. We discuss large-scale dipole and small-scale magnetic fields. We show that positron transport effects must be taken into account for the interpretation of emission features starting at about one to two years after maximum light, depending on the size of B. The [Fe II] line profile and its evolution with time can be understood in terms of the overall energy input by radioactive decay and the transition from a γ-ray to a positron-dominated regime. We find that the [Fe II] line at 1.644 μm can be used to analyze the overall chemical and density structure of the exploding WD up to day 200 without considering B. At later times, positron transport and magnetic field effects become important. After about day 300, the line profile allows one to probe the size of the B-field. The profile becomes sensitive to the morphology of B at about day 500. In the presence of a large-scale dipole field, a broad line is produced in M {sub Ch} mass explosions that may appear flat-topped or rounded depending on the inclination at which the SN is observed. Small or no directional dependence of the spectra is found for small-scale B. We note that narrow-line profiles require central {sup 56}Ni as shown in our previous studies. Persistent broad-line, flat-topped profiles require high-density burning, which is the signature of a WD close to M {sub Ch}. Good time coverage is required to

  19. INVISIBLE ACTIVE GALACTIC NUCLEI. I. SAMPLE SELECTION AND OPTICAL/NEAR-IR SPECTRAL ENERGY DISTRIBUTIONS

    SciTech Connect (OSTI)

    Yan, Ting; Stocke, John T.; Darling, Jeremy; Hearty, Fred

    2012-10-01

    In order to find more examples of the elusive high-redshift molecular absorbers, we have embarked on a systematic discovery program for highly obscured, radio-loud 'invisible active galactic nuclei' using the Very Large Array Faint Images of the Radio Sky at Twenty centimeters radio survey in conjunction with the Sloan Digital Sky Survey (SDSS) to identify 82 strong ({>=}300 mJy) radio sources positionally coincident with late-type, presumably gas-rich galaxies. In this first paper, the basic properties of this sample are described including the selection process and the analysis of the spectral energy distributions (SEDs) derived from the optical (SDSS) + near-IR (NIR) photometry obtained by us at the Apache Point Observatory 3.5 m. The NIR images confirm the late-type galaxy morphologies found by SDSS for these sources in all but a few (6 of 70) cases (12 previously well studied or misclassified sources were culled). Among 70 sources in the final sample, 33 show galaxy type SEDs, 17 have galaxy components to their SEDs, and 20 have quasar power-law continua. At least nine sources with galaxy SEDs have K-band flux densities too faint to be giant ellipticals if placed at their photometric redshifts. Photometric redshifts for this sample are analyzed and found to be too inaccurate for an efficient radio-frequency absorption line search; spectroscopic redshifts are required. A few new spectroscopic redshifts for these sources are presented here but more will be needed to make significant progress in this field. Subsequent papers will describe the radio continuum properties of the sample and the search for redshifted H I 21 cm absorption.

  20. On the potential of mid-IR lasers for generating high harmonics with subnanometer wavelengths in gases

    SciTech Connect (OSTI)

    Emelin, M Yu; Ryabikin, M Yu

    2013-03-31

    The influence of the magnetic field of a laser pulse and the depletion of bound levels of working-medium atoms on the generation of high harmonics of mid-IR laser radiation in gases is investigated using numerical quantum-mechanical calculations. The maximum attainable spectral widths of high harmonics are estimated for model atoms with different ionisation potentials taking into account the aforementioned limiting effects. It is shown (within a two-dimensional model) that high harmonics with wavelengths to several angstroms can be generated by irradiating helium atoms with high-power femtosecond pulses of a laser [5] with a centre wavelength of 3.9 {mu}m. The possibility of observing experimentally relativistic effects using modern desktop mid-IR laser sources is demonstrated. (extreme light fields and their applications)

  1. Decoupling of the antiferromagnetic and insulating states in Tb-doped Sr2IrO4

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Wang, J. C.; Aswartham, S.; Ye, Feng; Terzic, J.; Zheng, H.; Haskel, Daniel; Chikara, Shalinee; Choi, Yong; Schlottmann, P.; Custelcean, Radu; et al

    2015-12-08

    Sr2IrO4 is a spin-orbit coupled insulator with an antiferromagnetic (AFM) transition at TN = 240 K. We report results of a comprehensive study of single-crystal Sr2Ir1-xTbxO4 (0≤x≤0.03). This study found that mere 3% (x=0.03) tetravalent Tb4+(4f7) substituting for Ir4+ (rather than Sr2+) completely suppresses the long-range collinear AFM transition but retains the insulating state, leading to a phase diagram featuring a decoupling of magnetic interactions and charge gap. The insulating state at x = 0.03 is characterized by an unusually large specific heat at low temperatures and an incommensurate magnetic state having magnetic peaks at (0.95, 0, 0) and (0,more » 0.95, 0) in the neutron diffraction, suggesting a spiral or spin density wave order. It is apparent that Tb doping effectively changes the relative strength of the SOI and the tetragonal CEF and enhances the Hund’s rule coupling that competes with the SOI, and destabilizes the AFM state. However, the disappearance of the AFM accompanies no metallic state chiefly because an energy level mismatch for the Ir and Tb sites weakens charge carrier hopping and renders a persistent insulating state. Furthermore, this work highlights an unconventional correlation between the AFM and insulating states in which the magnetic transition plays no critical role in the formation of the charge gap in the iridate.« less

  2. The role of the (111) texture on the exchange bias and interlayer coupling effects observed in sputtered NiFe/IrMn/Co trilayers

    SciTech Connect (OSTI)

    Castro, I. L.; Nascimento, V. P.; Passamani, E. C.; Takeuchi, A. Y.; Larica, C.; Tafur, M.; Pelegrini, F.

    2013-05-28

    Magnetic properties of sputtered NiFe/IrMn/Co trilayers grown on different seed layers (Cu or Ta) deposited on Si (100) substrates were investigated by magnetometry and ferromagnetic resonance measurements. Exchange bias effect and magnetic spring behavior have been studied by changing the IrMn thickness. As shown by X-ray diffraction, Ta and Cu seed layers provoke different degrees of (111) fcc-texture that directly affect the exchange bias and indirectly modify the exchange spring coupling behavior. Increasing the IrMn thickness, it was observed that the coupling angle between the Co and NiFe ferromagnetic layers increases for the Cu seed system, but it reduces for the Ta case. The results were explained considering (i) different anisotropies of the Co and IrMn layers induced by the different degree of the (111) texture and (ii) the distinct exchange bias set at the NiFe/IrMn and IrMn/Co interfaces in both systems. The NiFe and Co interlayer coupling angle is strongly correlated with both exchange bias and exchange magnetic spring phenomena. It was also shown that the highest exchange bias field occurs when an unstressed L1{sub 2} IrMn structure is stabilized.

  3. Large enhancement of Blocking temperature by control of interfacial structures in Pt/NiFe/IrMn/MgO/Pt multilayers

    SciTech Connect (OSTI)

    Chen, Xi; Wang, Shouguo Han, Gang; Jiang, Shaolong; Yang, Kang; Liu, Qianqian; Yu, Guanghua; Liu, Jialong; Wang, Rongming

    2015-09-15

    The Blocking temperature (T{sub B}) of Pt/NiFe/IrMn/MgO/Pt multilayers was greatly enhanced from far below room temperature (RT) to above RT by inserting 1 nm thick Mg layer at IrMn/MgO interface. Furthermore, the exchange bias field (H{sub eb}) was increased as well by the control of interfacial structures. The evidence for a significant fraction of Mn-O bonding at IrMn/MgO interface without Mg insertion layer was provided by X-ray photoelectron spectroscopy. The bonding between Mn and O can decrease the antiferromagnetism of IrMn film, leading to lower value of T{sub B} in Pt/NiFe/IrMn/MgO/Pt multilayers. Ultrathin Mg film inserted at IrMn/MgO interface acting as an oxygen sinking layer can suppress the oxidation reactions between Mn and O and reduce the formation of Mn-O bonding greatly. The oxidation suppression results in the recovery of the antiferromagnetism of IrMn film, which can enhance T{sub B} and H{sub eb}. Furthermore, the high resolution transmission electron microscopy demonstrates that the Mg insertion layer can efficiently promote a high-quality MgO (200) texture. This study will enhance the understanding of physics in antiferromagnet-based spintronic devices.

  4. Investigation of the physical properties of the tetragonal CeMAl4Si2 (M = Rh, Ir, Pt) compounds

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Ghimire, N. J.; Ronning, F.; Williams, D. J.; Scott, B. L.; Luo, Yongkang; Thompson, J. D.; Bauer, E. D.

    2014-12-15

    The synthesis, crystal structure and physical properties studied by means of x-ray diffraction, magnetic, thermal and transport measurements of CeMAl4Si2 (M = Rh, Ir, Pt) are reported, along with the electronic structure calculations for LaMAl4Si2 (M = Rh, Ir, Pt). These materials adopt a tetragonal crystal structure (space group P4/mmm) comprised of BaAl4 blocks, separated by MAl2 units, stacked along the c-axis. Both CeRhAl4Si2 and CeIrAl4Si2 order antiferromagnetically below TN1 = 14 and 16 K, respectively, and undergo a second antiferromagnetic transitition at lower temperature (TN2 = 9 and 14 K, respectively). CePtAl4Si2 orders ferromagnetically below TC = 3 Kmore » with an ordered moment of μsat = 0.8 μB for a magnetic field applied perpendicular to the c-axis. Electronic structure calculations reveal quasi-2D character of the Fermi surface.« less

  5. Strong enhancement of s -wave superconductivity near a quantum critical point of Ca3Ir4Sn13

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Biswas, P. K.; Guguchia, Z.; Khasanov, R.; Chinotti, M.; Li, L.; Wang, Kefeng; Petrovic, C.; Morenzoni, E.

    2015-11-11

    We repormore » t microscopic studies by muon spin rotation/relaxation as a function of pressure of the Ca3Ir4Sn13 and Sr3Ir4Sn13 system displaying superconductivity and a structural phase transition associated with the formation of a charge density wave (CDW). Our findings show a strong enhancement of the superfluid density and a dramatic increase of the pairing strength above a pressure of ≈ 1.6 GPa giving direct evidence of the presence of a quantum critical point separating a superconducting phase coexisting with CDW from a pure superconducting phase. The superconducting order parameter in both phases has the same s-wave symmetry. In spite of the conventional phonon-mediated BCS character of the weakly correlated (Ca1-xSrx)3Ir4Sn13 system the dependence of the effective superfluid density on the critical temperature puts this compound in the “Uemura” plot close to unconventional superconductors. This system exemplifies that conventional BCS superconductors in the presence of competing orders or multi-band structure can also display characteristics of unconventional superconductors.« less

  6. Effect of L1{sub 2} ordering in antiferromagnetic Ir-Mn epitaxial layer on exchange bias of FePd films

    SciTech Connect (OSTI)

    Chang, Y. C.; Duh, J. G. E-mail: lin.yg@nsrrc.org.tw; Hsiao, S. N. E-mail: lin.yg@nsrrc.org.tw; Liu, S. H.; Su, S. H.; Chiu, K. F.; Hsieh, W. C.; Chen, S. K.; Lin, Y. G. E-mail: lin.yg@nsrrc.org.tw; Lee, H. Y.; Sung, C. K.

    2015-05-07

    Two series of samples of single-layer IrMn and IrMn/FePd bilayer films, deposited on a single-crystal MgO substrate at different IrMn deposition temperatures (T{sub s} = 300–700 °C), were investigated using magnetron sputtering. L1{sub 2} ordering was revealed for the 30 nm-thick IrMn epitaxial (001) films with T{sub s} ≥ 400 °C, determined by synchrotron radiation x-ray diffractometry (XRD). XRD results also provide evidence of the epitaxial growth of the IrMn films on MgO substrate. Increasing T{sub s} from 400 to 700 °C monotonically increases the ordering parameter of L1{sub 2} phases from 0.17 to 0.81. An in-plane exchange bias field (H{sub eb}) of 22 Oe is obtained in a 10 nm-thick FePd film that is deposited on the disordered IrMn films. As the L1{sub 2} ordering of the IrMn layers increases, the H{sub eb} gradually decreases to 0 Oe, meaning that the exchange bias behavior vanishes. The increased surface roughness, revealed by atomic force microscopy, of the epitaxial IrMn layers with increasing T{sub s} cannot be the main cause of the decrease in H{sub eb} due to the compensated surface spins regardless of the disordered and ordered (001) IrMn layers. The change of antiferromagnetic structure from the A1 to the L1{sub 2} phase was correlated with the evolution of H{sub eb}.

  7. Near-IR spectroscopic monitoring of CLASS I protostars: Variability of accretion and wind indicators

    SciTech Connect (OSTI)

    Connelley, Michael S.; Greene, Thomas P.

    2014-06-01

    We present the results of a program that monitored the near-IR spectroscopic variability of a sample of 19 embedded protostars. Spectra were taken on time intervals from 2 days to 3 yr, over a wavelength range from 0.85 ?m to 2.45 ?m, for 4-9 epochs of observations per target. We found that the spectra of all targets are variable and that every emission feature observed is also variable (although not for all targets). With one exception, there were no drastic changes in the continua of the spectra, nor did any line completely disappear, nor did any line appear that was not previously apparent. This analysis focuses on understanding the connection between accretion (traced by H Br ? and CO) and the wind (traced by He I, [Fe II], and sometimes H{sub 2}). For both accretion and wind tracers, the median variability was constant versus the time interval between observations; however, the maximum variability that we observed increased with the time interval between observations. Extinction is observed to vary within the minimum sampling time of 2 days, suggesting extinguishing material within a few stellar radii at high disk latitudes. The variability of [Fe II] and H{sub 2} were correlated for most (but not all) of the 7 young stellar objects showing both features, and the amplitude of the variability depends on the veiling. Although the occurrence of CO and Br ? emission are connected, their variability is uncorrelated, suggesting that these emissions originate in separate regions near the protostar (e.g., disk and wind). The variability of Br ? and wind tracers were found to be positively correlated, negatively correlated, or uncorrelated, depending on the target. The variability of Br ?, [Fe II], and H{sub 2} always lies on a plane, although the orientation of the plane in three dimensions depends on the target. While we do not understand all interactions behind the variability that we observed, we have shown that spectroscopic variability is a powerful tool toward

  8. Vehicle Technologies Office Merit Review 2015: IR Thermography as a Non-Destructive Evaluation (NDE) Tool for Lithium-Ion Battery Manufacturing

    Broader source: Energy.gov [DOE]

    Presentation given by Oak Ridge National Laboratory at 2015 DOE Hydrogen and Fuel Cells Program and Vehicle Technologies Office Annual Merit Review and Peer Evaluation Meeting about IR thermography...

  9. New insulating antiferromagnetic quaternary iridates MLa10Ir4O24 (M=Sr, Ba)

    SciTech Connect (OSTI)

    Zhao, Qingbiao; Han, Fei; Stoumpos, Constantinos C.; Han, Tian -Heng; Li, Hao; Mitchell, J. F.

    2015-07-01

    Recently, oxides of Ir4+ have received renewed attention in the condensed matter physics community, as it has been reported that certain iridates have a strongly spin-orbital coupled (SOC) electronic state, Jeff = ½, that defines the electronic and magnetic properties. The canonical example is the Ruddlesden-Popper compound Sr2IrO4, which has been suggested as a potential route to a new class of high temperature superconductor due to the formal analogy between Jeff = ½ and the S = ½ state of the cuprate superconductors. The quest for other iridium oxides that present tests of the underlying SOC physics is underway. In this spirit, here we report the synthesis and physical properties of two new quaternary tetravalent iridates, MLa10Ir4O24 (M = Sr, Ba). The crystal structure of both compounds features isolated IrO6 octahedra in which the electronic configuration of Ir is d5. As a result, both compounds order antiferromagnetically despite the lack of obvious superexchange pathways, and resistivity measurement shows that SrLa10Ir4O24 is an insulator.

  10. Spin-orbit tuned metal-insulator transitions in single-crystal Sr?Ir1xRhxO? (0?x?1)

    SciTech Connect (OSTI)

    Qi, T. F.; Korneta, O. B.; Li, L.; Butrouna, K.; Cao, V. S.; Wan, Xiangang; Schlottmann, P.; Kaul, R. K.; Cao, G.

    2012-09-06

    Sr?IrO? is a magnetic insulator driven by spin-orbit interaction (SOI) whereas the isoelectronic and isostructural Sr?RhO? is a paramagnetic metal. The contrasting ground states have been shown to result from the critical role of the strong SOI in the iridate. Our investigation of structural, transport, magnetic, and thermal properties reveals that substituting 4d Rh?? (4d?) ions for 5d Ir?? (5d?) ions in Sr?IrO? directly reduces the SOI and rebalances the competing energies so profoundly that it generates a rich phase diagram for Sr?Ir1xRhxO? featuring two major effects: (1) Light Rh doping (0 ? x ? 0.16) prompts a simultaneous and precipitous drop in both the electrical resistivity and the magnetic ordering temperature TC, which is suppressed to zero at x = 0.16 from 240 K at x = 0. (2) However, with heavier Rh doping [0.24 < x < 0.85 (0.05)] disorder scattering leads to localized states and a return to an insulating state with spin frustration and exotic magnetic behavior that only disappears near x = 1. The intricacy of Sr?Ir1xRhxO? is further highlighted by comparison with Sr?Ir1xRuxO? where Ru?? (4d?) drives a direct crossover from the insulating to metallic states.

  11. AN UNBIASED SPECTRAL LINE SURVEY TOWARD R CrA IRS7B IN THE 345 GHz WINDOW WITH ASTE

    SciTech Connect (OSTI)

    Watanabe, Yoshimasa; Sakai, Nami; Yamamoto, Satoshi; Lindberg, Johan E.; Bisschop, Suzanne E.; Jorgensen, Jes K.

    2012-02-01

    We have conducted a spectral line survey in the 332-364 GHz region with the Atacama Submillimeter Telescope Experiment 10 m telescope toward R CrA IRS7B, a low-mass protostar in the Class 0 or Class 0/I transitional stage. We have also performed some supplementary observations in the 450 GHz band. In total, 16 molecular species are identified in the 332-364 GHz region. Strong emission lines of CN and CCH are observed, whereas complex organic molecules and long carbon-chain molecules, which are characteristics of hot corino and warm carbon-chain chemistry (WCCC) source, respectively, are not detected. The rotation temperature of CH{sub 3}OH is evaluated to be 31 K, which is significantly lower than that reported for the prototypical hot corino IRAS 16293-2422 ({approx}85 K). The deuterium fractionation ratios for CCH and H{sub 2}CO are obtained to be 0.038 and 0.050, respectively, which are much lower than those in the hot corino. These results suggest a weak hot corino activity in R CrA IRS7B. On the other hand, the carbon-chain related molecules, CCH and c-C{sub 3}H{sub 2}, are found to be abundant. However, this source cannot be classified as a WCCC source, since long carbon-chain molecules are not detected. If WCCC and hot corino chemistry represent the two extremes in chemical compositions of low-mass Class 0 sources, R CrA IRS7B would be a source with a mixture of these two chemical characteristics. The UV radiation from the nearby Herbig Ae star R CrA may also affect the chemical composition. The present line survey demonstrates further chemical diversity in low-mass star-forming regions.

  12. 119Sn-NMR investigations on superconducting Ca3Ir4Sn13: Evidence for multigap superconductivity

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Sarkar, R.; Petrovic, C.; Bruckner, F.; Gunther, M.; Wang, Kefeng; Biswas, P. K.; Luetkens, H.; Morenzoni, E.; Amato, A.; Klauss, H. -H.

    2015-09-25

    In this study, we report bulk superconductivity (SC) in Ca3Ir4Sn13 by means of 119Sn nuclear magnetic resonance (NMR) experiments. Two classical signatures of BCS superconductivity in spin-lattice relaxation rate (1/T1), namely the Hebel–Slichter coherence peak just below the Tc, and the exponential decay in the superconducting phase, are evident. The noticeable decrease of 119Sn Knight shift below Tc indicates spin-singlet superconductivity. The temperature dependence of the spin-lattice relaxation rate 119(1/T1) is convincingly described by the multigap isotropic superconducting gap. NMR experiments do not witness any sign of enhanced spin fluctuations.

  13. Molecular origin of the difference in the HOH bend of the IR spectra between liquid water and ice

    SciTech Connect (OSTI)

    Imoto, Sho; Xantheas, Sotiris S.; Saito, Shinji

    2013-02-07

    The intensity of the HOH bend in the IR spectrum of ice is significantly smaller than the corresponding one in liquid water. This difference in the IR intensities of the HOH bend in the two systems is investigated using MD simulations with the flexible, polarizable, ab-initio based TTM3-F model for water, a potential that correctly reproduces the experimentally observed increase of the HOH bend in liquid water and ice from the water monomer value. We have identified two factors that are responsible for the difference in the intensity of the HOH bend in liquid water and ice: (i) the decrease of the intensity of the HOH bend in ice caused by the strong anti-correlation between the permanent dipole moment of a molecule and the induced dipole moment of a neighboring hydrogen bond acceptor molecule and (ii) the weakening of this anti-correlation by the disordered hydrogen bond network in liquid water. The presence of the anti-correlation in ice is further confirmed by ab initio electronic structure calculations of water pentamer clusters extracted from the trajectories of the MD simulations for ice and liquid water.

  14. Kondo lattice and antiferromagnetic behavior in quaternary CeTAl4Si2 (T = Rh, Ir) single crystals

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Maurya, Arvind; Kulkarni, Ruta; Thamizhavel, Arumugam; Paudyal, Durga; Dhar, Sudesh Kumar

    2016-02-26

    Here, we have explored in detail the anisotropic magnetic properties of CeRhAl4Si2 and CeIrAl4Si2, which undergo two antiferromagnetic transitions, at TN1 = 12.6 and 15.5 K, followed by a second transition at TN2 = 9.4 and 13.8 K, respectively, with the [001]-axis as the relatively easy axis of magnetization. The electrical resistivity at ambient and applied pressure provides evidence of Kondo interaction in both compounds, further supported by a reduced value of the entropy associated with the magnetic ordering. The Sommerfeld coefficient γ is inferred to be 195.6 and 49.4 mJ/(mol K2) for CeRhAl4Si2 and CeIrAl4Si2, respectively, classifying these materialsmore » as moderate heavy-fermion compounds. The crystal electric field energy levels are derived from the peak seen in the Schottky heat capacity. Furthermore, we have also performed electronic structure calculations by using the local spin density approximation + U [LSDA+U] approach, which provide physical insights on the observed magnetic behavior of these two compounds.« less

  15. Accelerated Aging of BKC 44306-10 Rigid Polyurethane Foam: FT-IR Spectroscopy, Dimensional Analysis, and Micro Computed Tomography

    SciTech Connect (OSTI)

    Gilbertson, Robert D.; Patterson, Brian M.; Smith, Zachary

    2014-01-02

    An accelerated aging study of BKC 44306-10 rigid polyurethane foam was carried out. Foam samples were aged in a nitrogen atmosphere at three different temperatures: 50 °C, 65 °C, and 80 °C. Foam samples were periodically removed from the aging canisters at 1, 3, 6, 9, 12, and 15 month intervals when FT-IR spectroscopy, dimensional analysis, and mechanical testing experiments were performed. Micro Computed Tomography imaging was also employed to study the morphology of the foams. Over the course of the aging study the foams the decreased in size by a magnitude of 0.001 inches per inch of foam. Micro CT showed the heterogeneous nature of the foam structure likely resulting from flow effects during the molding process. The effect of aging on the compression and tensile strength of the foam was minor and no cause for concern. FT-IR spectroscopy was used to follow the foam chemistry. However, it was difficult to draw definitive conclusions about the changes in chemical nature of the materials due to large variability throughout the samples.

  16. The ITER VIS/IR wide angle viewing system: Challenges and on-going R and D

    SciTech Connect (OSTI)

    Travere, J. M.; Aumeunier, M. H.; Joanny, M.; Jouve, M.; Martin, V.; Moncada, V.; Salasca, S.; Marot, L.; Chabaud, D.; Ferme, J. J.; Bremond, F.; Thonnat, M.

    2011-07-01

    The ITER tokamak is the next generation fusion device which will allow studying burning plasma obtained by a Deuterium-Tritium (D-T) fusion reaction during hundreds of seconds. ITER vacuum vessel real-time protection will be mandatory during plasma operation to avoid water leaks and critical plasma facing components degradation. The protection system will be based on a wide angle viewing system (WAVS) composed with 18 visible (VIS) and 18 infrared (IR) cameras covering 80 % of the vacuum vessel which will be one of the major imaging systems of ITER. Compared to protection systems routinely used on current tokamaks and based on imaging (VIS and/or IR), new constraints must be taken into account because of their influence on the system performance: the harsh environment (high neutron flux) and the metallic plasma facing components (both first wall and divertor). In this new demanding context, we have achieved three mandatory R and D studies starting from the understanding of the source of signals by using realistic photonic simulation up to real-time processing strategy taken into account first order optical design constraints to define what type of performance could be reached for ITER vacuum vessel protection. (authors)

  17. Mixing antiferromagnets to tune NiFe-[IrMn/FeMn] interfacial spin-glasses, grains thermal stability, and related exchange bias properties

    SciTech Connect (OSTI)

    Akmaldinov, K.; Ducruet, C.; Portemont, C.; Joumard, I.; Prejbeanu, I. L.; Dieny, B.; Baltz, V.

    2014-05-07

    Spintronics devices and in particular thermally assisted magnetic random access memories require a wide range of ferromagnetic/antiferromagnetic (F/AF) exchange bias (EB) properties and subsequently of AF materials to fulfil diverse functionality requirements for the reference and storage. For the reference layer, large EB energies and high blocking temperature (T{sub B}) are required. In contrast, for the storage layer, mostly moderate T{sub B} are needed. One of the present issues is to find a storage layer with properties intermediate between those of IrMn and FeMn and in particular: (i) with a T{sub B} larger than FeMn for better stability at rest-T but lower than IrMn to reduce power consumption at write-T and (ii) with improved magnetic interfacial quality, i.e., with reduced interfacial glassy character for lower properties dispersions. To address this issue, the EB properties of F/AF based stacks were studied for various mixed [IrMn/FeMn] AFs. In addition to EB loop shifts, the F/AF magnetic interfacial qualities and the AF grains thermal stability are probed via measurements of the low- and high-temperature contributions to the T{sub B} distributions, respectively. A tuning of the above three parameters is observed when evolving from IrMn to FeMn via [IrMn/FeMn] repetitions.

  18. Evaluation of a lithium formate EPR dosimetry system for dose measurements around {sup 192}Ir brachytherapy sources

    SciTech Connect (OSTI)

    Antonovic, Laura; Gustafsson, Haakan; Alm Carlsson, Gudrun; Carlsson Tedgren, Aasa

    2009-06-15

    A dosimetry system using lithium formate monohydrate (HCO{sub 2}Li{center_dot}H{sub 2}O) as detector material and electron paramagnetic resonance (EPR) spectroscopy for readout has been used to measure absorbed dose distributions around clinical {sup 192}Ir sources. Cylindrical tablets with diameter of 4.5 mm, height of 4.8 mm, and density of 1.26 g/cm{sup 3} were manufactured. Homogeneity test and calibration of the dosimeters were performed in a 6 MV photon beam. {sup 192}Ir irradiations were performed in a PMMA phantom using two different source models, the GammaMed Plus HDR and the microSelectron PDR-v1 model. Measured absorbed doses to water in the PMMA phantom were converted to the corresponding absorbed doses to water in water phantoms of dimensions used by the treatment planning systems (TPSs) using correction factors explicitly derived for this experiment. Experimentally determined absorbed doses agreed with the absorbed doses to water calculated by the TPS to within {+-}2.9%. Relative standard uncertainties in the experimentally determined absorbed doses were estimated to be within the range of 1.7%-1.3% depending on the radial distance from the source, the type of source (HDR or PDR), and the particular absorbed doses used. This work shows that a lithium formate dosimetry system is well suited for measurements of absorbed dose to water around clinical HDR and PDR {sup 192}Ir sources. Being less energy dependent than the commonly used thermoluminescent lithium fluoride (LiF) dosimeters, lithium formate monohydrate dosimeters are well suited to measure absorbed doses in situations where the energy dependence cannot easily be accounted for such as in multiple-source irradiations to verify treatment plans. Their wide dynamic range and linear dose response over the dose interval of 0.2-1000 Gy make them suitable for measurements on sources of the strengths used in clinical applications. The dosimeter size needs, however, to be reduced for application to

  19. Probing single magnon excitations in Sr₂IrO₄ using O K-edge resonant inelastic x-ray scattering

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Liu, X.; Dean, M. P. M.; Liu, J.; Chiuzbaian, S. G.; Jaouen, N.; Nicolaou, A.; Yin, W. G.; Rayan Serrao, C.; Ramesh, R.; Ding, H.; et al

    2015-04-28

    Resonant inelastic X-ray scattering (RIXS) at the L-edge of transition metal elements is now commonly used to probe single magnon excitations. Here we show that single magnon excitations can also be measured with RIXS at the K-edge of the surrounding ligand atoms when the center heavy metal elements have strong spin-orbit coupling. This is demonstrated with oxygen K-edge RIXS experiments on the perovskite Sr₂IrO₄, where low energy peaks from single magnon excitations were observed. This new application of RIXS has excellent potential to be applied to a wide range of magnetic systems based on heavy elements, for which the L-edgemore » RIXS energy resolutions in the hard X-ray region is usually poor.« less

  20. Probing single magnon excitations in Sr₂IrO₄ using O K-edge resonant inelastic x-ray scattering

    SciTech Connect (OSTI)

    Liu, X.; Dean, M. P. M.; Liu, J.; Chiuzbaian, S. G.; Jaouen, N.; Nicolaou, A.; Yin, W. G.; Rayan Serrao, C.; Ramesh, R.; Ding, H.; Hill, J. P.

    2015-04-28

    Resonant inelastic X-ray scattering (RIXS) at the L-edge of transition metal elements is now commonly used to probe single magnon excitations. Here we show that single magnon excitations can also be measured with RIXS at the K-edge of the surrounding ligand atoms when the center heavy metal elements have strong spin-orbit coupling. This is demonstrated with oxygen K-edge RIXS experiments on the perovskite Sr₂IrO₄, where low energy peaks from single magnon excitations were observed. This new application of RIXS has excellent potential to be applied to a wide range of magnetic systems based on heavy elements, for which the L-edge RIXS energy resolutions in the hard X-ray region is usually poor.

  1. Lasing in the UV, IR and visible spectral ranges in a runaway-electron-preionised diffuse dischrage

    SciTech Connect (OSTI)

    Vil'tovskii, P O; Lomaev, Mikhail I; Panchenko, Aleksei N; Panchenko, N A; Rybka, D V; Tarasenko, Viktor F

    2013-07-31

    Lasers on the mixtures of inert gases, H{sub 2}, D{sub 2}, and nitrogen with NF{sub 3} and (or) SF{sub 6} are studied under pumping by the volume (diffusive) discharge formed in a nonuniform electric field due to runaway-electron preionisation. Generation in the IR, visible and UV spectral ranges is obtained on atomic transitions of neon ({lambda} = 585.3 nm), argon (750.3 nm) and fluorine (712.8 and 731.1 nm), and on molecular transitions of N2 (337.1 nm), XeF * (351 and 353 nm), HF (2.8 - 3.2 {mu}m) and DF (3.8 - 4.2 {mu}m). It is shown that in N{sub 2} - SF{sub 6}, H{sub 2} - SF{sub 6} and D{sub 2} - SF{sub 6} mixtures the generation efficiency approaches the limiting values. (lasers)

  2. Spin valves based on Mn{sub 75}Ir{sub 25} antiferromagnet with controllable functional parameters

    SciTech Connect (OSTI)

    Milyaev, M. A. Naumova, L. I.; Kamenskii, I. Yu.; Ustinov, V. V.

    2015-12-15

    Using the example of spin valves of the Ta(50 Å)/Ni{sub 80}Fe{sub 20}(30 Å)/Co{sub 90}Fe{sub 10}(15 Å)/Cu(28 Å)/Co{sub 90}Fe{sub 10}(20 Å)/Mn{sub 75}Ir{sub 25}(50 Å)/Ta(20 Å) composition, factors controlling the hysteresis properties are studied for the case of macro- and microscopic sizes of an experimental sample. It is shown that a linear change in the magnetoresistance with small hysteresis while retaining the giant magnetoresistance effect at a level of 8% can be obtained in a micro-object (meander) using thermomagnetic treatment.

  3. MID-IR SPECTRA OF TYPE Ia SN 2014J IN M82 SPANNING THE FIRST 4 MONTHS

    SciTech Connect (OSTI)

    Telesco, Charles M.; Li, Dan; Barnes, Peter J.; Mariñas, Naibí; Zhang, Han; Höflich, Peter; Álvarez, Carlos; Fernández, Sergio; Rebolo, Rafael; Hough, James H.; Levenson, N. A.; Pantin, Eric; Roche, Patrick E-mail: phoeflich77@gmail.com

    2015-01-10

    We present a time series of 8-13 μm spectra and photometry for SN 2014J obtained 57, 81, 108, and 137 days after the explosion using CanariCam on the Gran Telescopio Canarias. This is the first mid-IR time series ever obtained for a Type Ia supernova (SN Ia). These observations can be understood within the framework of the delayed detonation model and the production of ∼0.6 M {sub ☉} of {sup 56}Ni, consistent with the observed brightness, the brightness decline relation, and the γ-ray fluxes. The [Co III] line at 11.888 μm is particularly useful for evaluating the time evolution of the photosphere and measuring the amount of {sup 56}Ni and thus the mass of the ejecta. Late-time line profiles of SN 2014J are rather symmetric and not shifted in the rest frame. We see argon emission, which provides a unique probe of mixing in the transition layer between incomplete burning and nuclear statistical equilibrium. We may see [Fe III] and [Ni IV] emission, both of which are observed to be substantially stronger than indicated by our models. If the latter identification is correct, then we are likely observing stable Ni, which might imply central mixing. In addition, electron capture, also required for stable Ni, requires densities larger than ∼1 × 10{sup 9} g cm{sup –3}, which are expected to be present only in white dwarfs close to the Chandrasekhar limit. This study demonstrates that mid-IR studies of SNe Ia are feasible from the ground and provide unique information, but it also indicates the need for better atomic data.

  4. A new architecture as transparent electrodes for solar and IR applications based on photonic structures via soft lithography

    SciTech Connect (OSTI)

    Kuang, Ping

    2011-05-15

    Transparent conducting electrodes with the combination of high optical transmission and good electrical conductivity are essential for solar energy harvesting and electric lighting devices. Currently, indium tin oxide (ITO) is used because ITO offers relatively high transparency (>80%) to visible light and low sheet resistance (R{sub s} = 10 ohms/square ({Omega}#2;/?)) for electrical conduction. However, ITO is costly due to limited indium reserves, and it is brittle. These disadvantages have motivated the search for other conducting electrodes with similar or better properties. There has been research on a variety of electrode structures involving carbon nanotube networks, graphene films, nanowire and nanopatterned meshes and grids. Due to their novel characteristics in light manipulation and collection, photonic crystal structures show promise for further improvement. Here, we report on a new architecture consisting of nanoscale high aspect ratio metallic photonic structures as transparent electrodes fabricated via a combination of processes. For (Au) and silver (Ag) structures, the visible light transmission can reach as high as 80%, and the sheet resistance of the structure can be as low as 3.2{Omega}#2;/?. The optical transparency of the high aspect ratio metal structures at visible wavelength range is comparable to that of ITO glass, while their sheet resistance is more than 3 times lower, which indicates a much higher electrical conductivity of the metal structures. Furthermore, the high aspect ratio metal structures have very high infrared (IR) reflection (90%) for the transverse magnetic (TM) mode, which can lead to the development of fabrication of metallic structures as IR filters for heat control applications. Investigations of interdigitated structures based on the high aspect ratio metal electrodes are ongoing to study the feasibility in smart window applications in light transmission modulation.

  5. Formation of a Keplerian disk in the infalling envelope around L1527 IRS: transformation from infalling motions to Kepler motions

    SciTech Connect (OSTI)

    Ohashi, Nagayoshi [Subaru Telescope, National Astronomical Observatory of Japan, 650 North A'ohoku Place, Hilo, HI 96720 (United States); Saigo, Kazuya [Chile Observatory, National Astronomical Observatory of Japan, Osawa 2-21-1, Mitaka, Tokyo 181-8588 (Japan); Aso, Yusuke; Koyamatsu, Shin [Department of Astronomy, Graduate School of Science, The University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-0033 (Japan); Aikawa, Yuri [Department of Earth and Planetary Sciences, Kobe University, Kobe 657-8501 (Japan); Machida, Masahiro N. [Department of Earth and Planetary Sciences, Faculty of Sciences, Kyushu University, Fukuoka 812-8581 (Japan); Saito, Masao [Joint ALMA Observatory, Ave. Alonso de Cordova 3107, Vitacura, Santiago (Chile); Takahashi, Sanemichi Z. [Department of Physics, Kyoto University, Oiwake-cho, Kitashirakawa, Sakyo-ku, Kyoto 606-8502 (Japan); Takakuwa, Shigehisa; Yen, Hsi-Wei [Academia Sinica Institute of Astronomy and Astrophysics, PO Box 23-141, Taipei 10617, Taiwan (China); Tomida, Kengo [Department of Astronomical Science, Princeton University, Princeton, NJ 08544 (United States); Tomisaka, Kohji, E-mail: nohashi@naoj.org [National Astronomical Observatory of Japan, Osawa 2-21-1, Mitaka, Tokyo 181-8588 (Japan)

    2014-12-01

    We report Atacama Large Millimeter/submillimeter Array (ALMA) cycle 0 observations of the C{sup 18}O (J = 2-1), SO (J{sub N} = 6{sub 5}-5{sub 4}), and the 1.3 mm dust continuum toward L1527 IRS, a class 0 solar-type protostar surrounded by an infalling and rotating envelope. C{sup 18}O emission shows strong redshifted absorption against the bright continuum emission associated with L1527 IRS, strongly suggesting infall motions in the C{sup 18}O envelope. The C{sup 18}O envelope also rotates with a velocity mostly proportional to r {sup 1}, where r is the radius, whereas the rotation profile at the innermost radius (?54 AU) may be shallower than r {sup 1}, suggestive of formation of a Keplerian disk around the central protostar of ?0.3 M {sub ?} in dynamical mass. SO emission arising from the inner part of the C{sup 18}O envelope also shows rotation in the same direction as the C{sup 18}O envelope. The rotation is, however, rigid-body-like, which is very different from the differential rotation shown by C{sup 18}O. In order to explain the line profiles and the position-velocity (PV) diagrams of C{sup 18}O and SO observed, simple models composed of an infalling envelope surrounding a Keplerian disk of 54 AU in radius orbiting a star of 0.3 M {sub ?} are examined. It is found that in order to reproduce characteristic features of the observed line profiles and PV diagrams, the infall velocity in the model has to be smaller than the free-fall velocity yielded by a star of 0.3 M {sub ?}. Possible reasons for the reduced infall velocities are discussed.

  6. Highly Active and Stable MgAl2O4 Supported Rh and Ir Catalysts for Methane Steam Reforming: A Combined Experimental and Theoretical Study

    SciTech Connect (OSTI)

    Mei, Donghai; Glezakou, Vassiliki Alexandra; Lebarbier, Vanessa MC; Kovarik, Libor; Wan, Haiying; Albrecht, Karl O.; Gerber, Mark A.; Rousseau, Roger J.; Dagle, Robert A.

    2014-07-01

    In this work we present a combined experimental and theoretical investigation of stable MgAl2O4 spinel-supported Rh and Ir catalysts for the steam methane reforming (SMR) reaction. Firstly, catalytic performance for a series of noble metal catalysts supported on MgAl2O4 spinel was evaluated for SMR at 600-850°C. Turnover rate at 850°C follows the order: Pd > Pt > Ir > Rh > Ru > Ni. However, Rh and Ir were found to have the best combination of activity and stability for methane steam reforming in the presence of simulated biomass-derived syngas. It was found that highly dispersed ~2 nm Rh and ~1 nm Ir clusters were formed on the MgAl2O4 spinel support. Scanning Transition Electron Microscopy (STEM) images show that excellent dispersion was maintained even under challenging high temperature conditions (e.g. at 850°C in the presence of steam) while Ir and Rh catalysts supported on Al2O3 were observed to sinter at increased rates under the same conditions. These observations were further confirmed by ab initio molecular dynamics (AIMD) simulations which find that ~1 nm Rh and Ir particles (50-atom cluster) bind strongly to the MgAl2O4 surfaces via a redox process leading to a strong metal-support interaction, thus helping anchor the metal clusters and reduce the tendency to sinter. Density functional theory (DFT) calculations suggest that these supported smaller Rh and Ir particles have a lower work function than larger more bulk-like ones, which enables them to activate both water and methane more effectively than larger particles, yet have a minimal influence on the relative stability of coke precursors. In addition, theoretical mechanistic studies were used to probe the relationship between structure and reactivity. Consistent with the experimental observations, our theoretical modeling results also suggest that the small spinel-supported Ir particle catalyst is more active than the counterpart of Rh catalyst for SMR. This work was financially supported by the

  7. Measurement of absorbed dose-to-water for an HDR {sup 192}Ir source with ionization chambers in a sandwich setup

    SciTech Connect (OSTI)

    Araki, Fujio; Kouno, Tomohiro; Ohno, Takeshi; Kakei, Kiyotaka; Yoshiyama, Fumiaki; Kawamura, Shinji

    2013-09-15

    Purpose: In this study, a dedicated device for ion chamber measurements of absorbed dose-to-water for a Nucletron microSelectron-v2 HDR {sup 192}Ir brachytherapy source is presented. The device uses two ionization chambers in a so-called sandwich assembly. Using this setup and by taking the average reading of the two chambers, any dose error due to difficulties in absolute positioning (centering) of the source in between the chambers is cancelled to first order. The method's accuracy was examined by comparing measurements with absorbed dose-to-water determination based on the AAPM TG-43 protocol.Methods: The optimal source-to-chamber distance (SCD) for {sup 192}Ir dosimetry was determined from ion chamber measurements in a water phantom. The {sup 192}Ir source was sandwiched between two Exradin A1SL chambers (0.057 cm{sup 3}) at the optimal SCD separation. The measured ionization was converted to the absorbed dose-to-water using a {sup 60}Co calibration factor and a Monte Carlo-calculated beam quality conversion factor, k{sub Q}, for {sup 60}Co to {sup 192}Ir. An uncertainty estimate of the proposed method was determined based on reproducibility of measurements at different institutions for the same type of source.Results: The optimal distance for the A1SL chamber measurements was determined to be 5 cm from the {sup 192}Ir source center, considering the depth dependency of k{sub Q} for {sup 60}Co to {sup 192}Ir and the chamber positioning. The absorbed dose to water measured at (5 cm, 90°) on the transverse axis was 1.3% lower than TG-43 values and its reproducibility and overall uncertainty were 0.8% and 1.7%, respectively. The measurement doses at anisotropic points agreed within 1.5% with TG-43 values.Conclusions: The ion chamber measurement of absorbed dose-to-water with a sandwich method for the {sup 192}Ir source provides a more accurate, direct, and reference dose compared to the dose-to-water determination based on air-kerma strength in the TG-43 protocol

  8. Analysis of the spin Hall effect in CuIr alloys: Combined approach of density functional theory and Hartree-Fock approximation

    SciTech Connect (OSTI)

    Xu, Zhuo Gu, Bo; Mori, Michiyasu; Maekawa, Sadamichi; Ziman, Timothy

    2015-05-07

    We analyze the spin Hall effect in CuIr alloys in theory by the combined approach of the density functional theory (DFT) and Hartree-Fock (HF) approximation. The spin Hall angle (SHA) is obtained to be negative without the local correlation effects. After including the local correlation effects of the 5d orbitals of Ir impurities, the SHA becomes positive with realistic correlation parameters and consistent with experiment [Niimi et al., Phys. Rev. Lett. 106, 126601 (2011)]. Moreover, our analysis shows that the DFT + HF approach is a convenient and general method to study the influence of local correlation effects on the spin Hall effect.

  9. Magnetic behavior of the Bi{sub 2−y}Sr{sub y}Ir{sub 2}O{sub 7} pyrochlore solid solution

    SciTech Connect (OSTI)

    Cosio-Castaneda, C.; Mora, P. de la; Morales, F.; Escudero, R.; Tavizon, G.

    2013-04-15

    The temperature dependence of magnetic susceptibility of the Bi{sub 2−y}Sr{sub y}Ir{sub 2}O{sub 7} system was studied from 2 to 300 K. According to these measurements, the solid solution (0≤y≤0.9) does not show any magnetic transition; however, a noticeable deviation from the Curie–Weiss law occurs and the magnetic behavior of this system can be ascribed to short-range magnetic order that is also present in several geometrically frustrated systems. The Pauli magnetic susceptibility decreases as the Sr content increases, this can be associated with a shift towards Ir{sup 5+} in samples; also the Ir effective magnetic moment decreases. The estimated Wilson-ratio indicates the presence of strong electron–electron correlations. - Graphical abstract: Temperature dependence of the magnetic susceptibility of Bi{sub 2−y}Sr{sub y}Ir{sub 2}O{sub 7}. The samples of this system showed no magnetic transition down to 2 K. Analyzing magnetic data (symbols for experimental data, continuous line for the Curie–Weiss (CW) equation and black dots for a modified CW equation), it is found that this system departures from a CW-like equation and the magnetic parameters C and θ notably deviate from the expected values for Ir. Better fittings with a modified CW equation are shown in the A and B insets. Highlights: ► The magnetic susceptibility of the Bi{sub 2−x}Sr{sub x}Ir{sub 2}O{sub 7} system is discussed. ► No magnetic transition is observed. ► Magnetic measurements on the Bi{sub 2−y}Sr{sub y}Ir{sub 2}O{sub 7} indicate the existence of Ir{sup 5+}. ► The magnetic susceptibility does not follow a Curie–Weiss law. ► A modified Curie–Weiss equation describes correctly the magnetic susceptibility.

  10. Two Keggin-type heteropolytungstates with transition metal as a central atom: Crystal structure and magnetic study with 2D-IR correlation spectroscopy

    SciTech Connect (OSTI)

    Chai, Feng [Department of Chemistry, Fuzhou University, Fuzhou 350108 (China); Chen, YiPing, E-mail: ypchen007@sina.com [Department of Chemistry, Fuzhou University, Fuzhou 350108 (China); State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian 350002 (China); You, ZhuChai; Xia, ZeMin; Ge, SuZhi; Sun, YanQiong; Huang, BiHua [Department of Chemistry, Fuzhou University, Fuzhou 350108 (China)

    2013-06-01

    Two Keggin-type heteropolytungstates, [Co(phen)?]?[CoW??O??]9H?O 1 (phen=1,10-phenanthroline) and [Fe(phen)?]?[FeW??O??]H?OH?O 2, have been synthesized via the hydrothermal technique and characterized by single crystal X-ray diffraction analyses, IR, XPS, TG analysis, UVDRS, XRD, thermal-dependent and magnetic-dependent 2D-COS IR (two-dimensional infrared correlation spectroscopy). Crystal structure analysis reveals that the polyanions in compound 1 are linked into 3D supramolecule through hydrogen bonding interactions between lattice water molecules and terminal oxygen atoms of polyanion units, and [Co(phen)?]? cations distributed in the polyanion framework with many hydrogen bonding interactions. The XPS spectra indicate that all the Co atoms in 1 are +2 oxidation state, the Fe atoms in 2 existing with +2 and +3 mixed oxidation states. - Graphical abstract: The magnetic-dependent synchronous 2D correlation IR spectra of 1 (a), 2 (b) over 050 mT in the range of 6001000 cm?, the obvious response indicate two Keggin polyanions skeleton susceptible to applied magnetic field. Highlights: Two Keggin-type heteropolytungstates with transition metal as a central atom has been obtained. Compound 1 forms into 3D supramolecular architecture through hydrogen bonding between water molecules and polyanions. Magnetic-dependent 2D-IR correlation spectroscopy was introduced to discuss the magnetism of polyoxometalate.

  11. The structure and IR signatures of the arginine-glutamate salt bridge. Insights from the classical MD simulations

    SciTech Connect (OSTI)

    Vener, M. V.; Odinokov, A. V.; Wehmeyer, C.; Sebastiani, D.

    2015-06-07

    Salt bridges and ionic interactions play an important role in protein stability, protein-protein interactions, and protein folding. Here, we provide the classical MD simulations of the structure and IR signatures of the arginine (Arg)glutamate (Glu) salt bridge. The Arg-Glu model is based on the infinite polyalanine antiparallel two-stranded ?-sheet structure. The 1 ?s NPT simulations show that it preferably exists as a salt bridge (a contact ion pair). Bidentate (the end-on and side-on structures) and monodentate (the backside structure) configurations are localized [Donald et al., Proteins 79, 898915 (2011)]. These structures are stabilized by the short {sup +}NH?O{sup ?} bonds. Their relative stability depends on a force field used in the MD simulations. The side-on structure is the most stable in terms of the OPLS-AA force field. If AMBER ff99SB-ILDN is used, the backside structure is the most stable. Compared with experimental data, simulations using the OPLS all-atom (OPLS-AA) force field describe the stability of the salt bridge structures quite realistically. It decreases in the following order: side-on > end-on > backside. The most stable side-on structure lives several nanoseconds. The less stable backside structure exists a few tenth of a nanosecond. Several short-living species (solvent shared, completely separately solvated ionic groups ion pairs, etc.) are also localized. Their lifetime is a few tens of picoseconds or less. Conformational flexibility of amino acids forming the salt bridge is investigated. The spectral signature of the Arg-Glu salt bridge is the IR-intensive band around 2200 cm{sup ?1}. It is caused by the asymmetric stretching vibrations of the {sup +}NH?O{sup ?} fragment. Result of the present paper suggests that infrared spectroscopy in the 20002800 frequency region may be a rapid and quantitative method for the study of salt bridges in peptides and ionic interactions between proteins. This region is usually not considered in

  12. Up-regulation of K{sub ir}2.1 by ER stress facilitates cell death of brain capillary endothelial cells

    SciTech Connect (OSTI)

    Kito, Hiroaki; Yamazaki, Daiju; Department of Biological Chemistry, Kyoto University, Graduate School of Pharmaceutical Sciences, Kyoto; Department of Molecular Neurobiology, Graduate School of Medical Sciences, Nagoya City University, Nagoya ; Ohya, Susumu; Yamamura, Hisao; Asai, Kiyofumi; Imaizumi, Yuji

    2011-07-29

    Highlights: {yields} We found that application of endoplasmic reticulum (ER) stress with tunicamycin to brain capillary endothelial cells (BCECs) induced cell death. {yields} The ER stress facilitated the expression of inward rectifier K{sup +} channel (K{sub ir}2.1) and induced sustained membrane hyperpolarization. {yields} The membrane hyperpolarization induced sustained Ca{sup 2+} entry through voltage-independent nonspecific cation channels and consequently facilitated cell death. {yields} The K{sub ir}2.1 up-regulation by ER stress is, at least in part, responsible for cell death of BCECs under pathological conditions. -- Abstract: Brain capillary endothelial cells (BCECs) form blood brain barrier (BBB) to maintain brain homeostasis. Cell turnover of BCECs by the balance of cell proliferation and cell death is critical for maintaining the integrity of BBB. Here we found that stimuli with tunicamycin, endoplasmic reticulum (ER) stress inducer, up-regulated inward rectifier K{sup +} channel (K{sub ir}2.1) and facilitated cell death in t-BBEC117, a cell line derived from bovine BCECs. The activation of K{sub ir} channels contributed to the establishment of deeply negative resting membrane potential in t-BBEC117. The deep resting membrane potential increased the resting intracellular Ca{sup 2+} concentration due to Ca{sup 2+} influx through non-selective cation channels and thereby partly but significantly regulated cell death in t-BBEC117. The present results suggest that the up-regulation of K{sub ir}2.1 is, at least in part, responsible for cell death/cell turnover of BCECs induced by a variety of cellular stresses, particularly ER stress, under pathological conditions.

  13. Spin-orbit tuned metal-insulator transitions in single-crystal Sr₂Ir1–xRhxO₄ (0≤x≤1)

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Qi, T. F.; Korneta, O. B.; Li, L.; Butrouna, K.; Cao, V. S.; Wan, Xiangang; Schlottmann, P.; Kaul, R. K.; Cao, G.

    2012-09-06

    Sr₂IrO₄ is a magnetic insulator driven by spin-orbit interaction (SOI) whereas the isoelectronic and isostructural Sr₂RhO₄ is a paramagnetic metal. The contrasting ground states have been shown to result from the critical role of the strong SOI in the iridate. Our investigation of structural, transport, magnetic, and thermal properties reveals that substituting 4d Rh⁴⁺ (4d⁵) ions for 5d Ir⁴⁺ (5d⁵) ions in Sr₂IrO₄ directly reduces the SOI and rebalances the competing energies so profoundly that it generates a rich phase diagram for Sr₂Ir1–xRhxO₄ featuring two major effects: (1) Light Rh doping (0 ≤ x ≤ 0.16) prompts a simultaneous andmore » precipitous drop in both the electrical resistivity and the magnetic ordering temperature TC, which is suppressed to zero at x = 0.16 from 240 K at x = 0. (2) However, with heavier Rh doping [0.24 < x < 0.85 (±0.05)] disorder scattering leads to localized states and a return to an insulating state with spin frustration and exotic magnetic behavior that only disappears near x = 1. The intricacy of Sr₂Ir1–xRhxO₄ is further highlighted by comparison with Sr₂Ir1–xRuxO₄ where Ru⁴⁺ (4d⁴) drives a direct crossover from the insulating to metallic states.« less

  14. The Role of Ir in Ternary Rh-Based Catalysts for Syngas Conversion to C2+ Oxygenates

    SciTech Connect (OSTI)

    Glezakou, Vassiliki Alexandra; Jaffe, John E.; Rousseau, Roger J.; Mei, Donghai; Kathmann, Shawn M.; Albrecht, Karl O.; Gray, Michel J.; Gerber, Mark A.

    2012-07-09

    Transition metal modified Rh-catalysts can be used for converting syngas (CO+H2) into C2+ oxygenates. It has been found that Mn has a favorable effect in the selectivity towards oxygenates, while addition of Ir to the binary Rh-Mn catalysts significantly increases the space-time yield of C2+ oxygenates. In this paper, we use quantum mechanical calculations to investigate the distribution of promoter sites within Rh rich nanoparticles and their role in the conversion of syngas towards ethanol. This work was supported by the U.S. Department of Energy (DOE), Office of Energy Efficiency and Renewable Energy Biomass Program. The Pacific Northwest National Laboratory (PNNL) is operated by Battelle for the DOE under Contract DE-AC05-76RL01830. A portion of the research was performed in the Environmental Molecular Sciences Laboratory (EMSL), a national science user facility sponsored by the Department of Energy’s Office of Biological and Environmental Research located at PNNL.

  15. Ir I L

    Office of Legacy Management (LM)

    LIST OF FIGURES 1 2 General location of the Granite City Steel Facility' Granite City, ... and debris samples at the Granite City Steel Facility, Granite City, Illinois . . . . . ...

  16. Ir I L

    Office of Legacy Management (LM)

    General location of the Granite City Steel Facility , Granite City , Illinois . . . . ... and debris samples at the Granite City Steel Facility, Granite City, Illinois . . . . . ...

  17. IR DIAL performance modeling

    SciTech Connect (OSTI)

    Sharlemann, E.T.

    1994-07-01

    We are developing a DIAL performance model for CALIOPE at LLNL. The intent of the model is to provide quick and interactive parameter sensitivity calculations with immediate graphical output. A brief overview of the features of the performance model is given, along with an example of performance calculations for a non-CALIOPE application.

  18. SU-E-T-457: Design and Characterization of An Economical 192Ir Hemi-Brain Small Animal Irradiator

    SciTech Connect (OSTI)

    Grams, M; Wilson, Z; Sio, T; Beltran, C; Tryggestad, E; Gupta, S; Blackwell, C; McCollough, K; Sarkaria, J; Furutani, K

    2014-06-01

    Purpose: To describe the design and dosimetric characterization of a simple and economical small animal irradiator. Methods: A high dose rate 192Ir brachytherapy source from a commercially available afterloader was used with a 1.3 centimeter thick tungsten collimator to provide sharp beam penumbra suitable for hemi-brain irradiation of mice. The unit is equipped with continuous gas anesthesia to allow robust animal immobilization. Dosimetric characterization of the device was performed with Gafchromic film. The penumbra from the small animal irradiator was compared under similar collimating conditions to the penumbra from 6 MV photons, 6 MeV electrons, and 20 MeV electrons from a linear accelerator as well as 300 kVp photons from an orthovoltage unit and Monte Carlo simulated 90 MeV protons. Results: The tungsten collimator provides a sharp penumbra suitable for hemi-brain irradiation, and dose rates on the order of 200 cGy/minute were achieved. The sharpness of the penumbra attainable with this device compares favorably to those measured experimentally for 6 MV photons, and 6 and 20 MeV electron beams from a linear accelerator. Additionally, the penumbra was comparable to those measured for a 300 kVp orthovoltage beam and a Monte Carlo simulated 90 MeV proton beam. Conclusions: The small animal irradiator described here can be built for under $1,000 and used in conjunction with any commercial brachytherapy afterloader to provide a convenient and cost-effective option for small animal irradiation experiments. The unit offers high dose rate delivery and sharp penumbra, which is ideal for hemi-brain irradiation of mice. With slight modifications to the design, irradiation of sites other than the brain could be accomplished easily. Due to its simplicity and low cost, the apparatus described is an attractive alternative for small animal irradiation experiments requiring a sharp penumbra.

  19. Magnetic structure of the antiferromagnetic Kondo lattice compounds CeRhAl4Si2 and CeIrAl4Si2

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Ghimire, N. J.; Calder, S.; Janoschek, M.; Bauer, E. D.

    2015-06-01

    In this article, we have investigated the magnetic ground state of the antiferromagnetic Kondo-lattice compounds CeMAl4Si2(M = Rh, Ir) using neutron powder diffraction. Although both of these compounds show two magnetic transitions TN1 and TN2 in the bulk properties measurements, evidence for magnetic long-range order was only found below the lower transition TN2. Analysis of the diffraction profiles reveals a commensurate antiferromagnetic structure with a propagation vector k = (0, 0, 1/2). The magnetic moment in the ordered state of CeRhAl4Si2 and CeIrAl4Si2 were determined to be 1.14(2) and 1.41(3) μB/Ce, respectively, and are parallel to the crystallographic c-axis inmore » agreement with magnetic susceptibility measurements.« less

  20. Experimental investigation of neutronic characteristics of the IR-8 reactor to confirm the results of calculations by MCU-PTR code

    SciTech Connect (OSTI)

    Surkov, A. V. Kochkin, V. N.; Pesnya, Yu. E.; Nasonov, V. A.; Vihrov, V. I.; Erak, D. Yu.

    2015-12-15

    A comparison of measured and calculated neutronic characteristics (fast neutron flux and fission rate of {sup 235}U) in the core and reflector of the IR-8 reactor is presented. The irradiation devices equipped with neutron activation detectors were prepared. The determination of fast neutron flux was performed using the {sup 54}Fe (n, p) and {sup 58}Ni (n, p) reactions. The {sup 235}U fission rate was measured using uranium dioxide with 10% enrichment in {sup 235}U. The determination of specific activities of detectors was carried out by measuring the intensity of characteristic gamma peaks using the ORTEC gamma spectrometer. Neutron fields in the core and reflector of the IR-8 reactor were calculated using the MCU-PTR code.

  1. Strong lattice correlation of non-equilibrium quasiparticles in a pseudospin-1/2 Mott insulator Sr2IrO4

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Li, Yuelin; Schaller, Richard D.; Zhu, Mengze; Walko, Donald A.; Kim, Jungho; Ke, Xianglin; Miao, Ludi; Mao, Z. Q.

    2016-01-20

    In correlated oxides the coupling of quasiparticles to other degrees of freedom such as spin and lattice plays critical roles in the emergence of symmetry-breaking quantum ordered states such as high temperature superconductivity. We report a strong lattice coupling of photon-induced quasiparticles in spin-orbital coupling Mott insulator Sr2IrO4 probed via optical excitation. Combining time-resolved x-ray diffraction and optical spectroscopy techniques, we reconstruct a spatiotemporal map of the diffusion of these quasiparticles. Lastly, due to the unique electronic configuration of the quasiparticles, the strong lattice correlation is unexpected but extends the similarity between Sr2IrO4 and cuprates to a new dimension ofmore » electron-phonon coupling which persists under highly non-equilibrium conditions.« less

  2. Decoupling of the antiferromagnetic and insulating states in Tb-doped Sr2IrO4

    SciTech Connect (OSTI)

    Wang, J. C.; Aswartham, S.; Ye, Feng; Terzic, J.; Zheng, H.; Haskel, Daniel; Chikara, Shalinee; Choi, Yong; Schlottmann, P.; Custelcean, Radu; Yuan, S. J.; Cao, G.

    2015-12-08

    Sr2IrO4 is a spin-orbit coupled insulator with an antiferromagnetic (AFM) transition at TN = 240 K. We report results of a comprehensive study of single-crystal Sr2Ir1-xTbxO4 (0≤x≤0.03). This study found that mere 3% (x=0.03) tetravalent Tb4+(4f7) substituting for Ir4+ (rather than Sr2+) completely suppresses the long-range collinear AFM transition but retains the insulating state, leading to a phase diagram featuring a decoupling of magnetic interactions and charge gap. The insulating state at x = 0.03 is characterized by an unusually large specific heat at low temperatures and an incommensurate magnetic state having magnetic peaks at (0.95, 0, 0) and (0, 0.95, 0) in the neutron diffraction, suggesting a spiral or spin density wave order. It is apparent that Tb doping effectively changes the relative strength of the SOI and the tetragonal CEF and enhances the Hund’s rule coupling that competes with the SOI, and destabilizes the AFM state. However, the disappearance of the AFM accompanies no metallic state chiefly because an energy level mismatch for the Ir and Tb sites weakens charge carrier hopping and renders a persistent insulating state. Furthermore, this work highlights an unconventional correlation between the AFM and insulating states in which the magnetic transition plays no critical role in the formation of the charge gap in the iridate.

  3. Evolution of competing magnetic order in the Jeff=1/2 insulating state of Sr2Ir1-xRuxO4

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Calder, Stuart A.; Kim, Jong-Woo; Cao, Guixin; Cantoni, Claudia; May, Andrew F; Cao, Huibo B.; Aczel, Adam A.; Matsuda, Masaaki; Choi, Yongseong; Haskel, Daniel; et al

    2015-10-27

    We investigate the magnetic properties of the series Sr2Ir1-xRuxO4 with neutron, resonant x-ray and magnetization measurements. The results indicate an evolution and coexistence of magnetic structures via a spin flop transition from ab-plane to c-axis collinear order as the 5d Ir4+ ions are replaced with an increasing concentration of 4d Ru4+ ions. The magnetic structures within the ordered regime of the phase diagram (x<0.3) are reported. Despite the changes in magnetic structure no alteration of the Jeff=1/2 ground state is observed. This behavior of Sr2Ir1-xRuxO4 is consistent with electronic phase separation and diverges from a standard scenario of hole doping.more » The role of lattice alterations with doping on the magnetic and insulating behavior is considered. Our results presented here provide insight into the magnetic insulating states in strong spin-orbit coupled materials and the role perturbations play in altering the behavior.« less

  4. C/2013 R1 (Lovejoy) at IR wavelengths and the variability of CO abundances among Oort Cloud comets

    SciTech Connect (OSTI)

    Paganini, L.; Mumma, M. J.; Villanueva, G. L.; Bonev, B. P.; DiSanti, M. A.; Keane, J. V.; Meech, K. J.; Blake, G. A.; Gibb, E. L.

    2014-08-20

    We report production rates, rotational temperatures, and related parameters for gases in C/2013 R1 (Lovejoy) using the Near InfraRed SPECtrometer at the Keck Observatory, on six UT dates spanning heliocentric distances (R{sub h} ) that decreased from 1.35 AU to 1.16 AU (pre-perihelion). We quantified nine gaseous species (H{sub 2}O, OH*, CO, CH{sub 4}, HCN, C{sub 2}H{sub 6}, CH{sub 3}OH, NH{sub 3}, and NH{sub 2}) and obtained upper limits for two others (C{sub 2}H{sub 2} and H{sub 2}CO). Compared with organics-normal comets, our results reveal highly enriched CO, (at most) slightly enriched CH{sub 3}OH, C{sub 2}H{sub 6}, and HCN, and CH{sub 4} consistent with {sup n}ormal{sup ,} yet depleted, NH{sub 3}, C{sub 2}H{sub 2}, and H{sub 2}CO. Rotational temperatures increased from ?50 K to ?70 K with decreasing R{sub h} , following a power law in R{sub h} of 2.0 0.2, while the water production rate increased from 1.0 to 3.9 10{sup 28} molecules s{sup 1}, following a power law in R{sub h} of 4.7 0.9. The ortho-para ratio for H{sub 2}O was 3.01 0.49, corresponding to spin temperatures (T {sub spin}) ? 29 K (at the 1? level). The observed spatial profiles for these emissions showed complex structures, possibly tied to nucleus rotation, although the cadence of our observations limits any definitive conclusions. The retrieved CO abundance in Lovejoy is more than twice the median value for comets in our IR survey, suggesting this comet is enriched in CO. We discuss the enriched value for CO in comet C/2013 R1 in terms of the variability of CO among Oort Cloud comets.

  5. Quantum calculations of the IR spectrum of liquid water using ab initio and model potential and dipole moment surfaces and comparison with experiment

    SciTech Connect (OSTI)

    Liu, Hanchao; Wang, Yimin; Bowman, Joel M.

    2015-05-21

    The calculation and characterization of the IR spectrum of liquid water have remained a challenge for theory. In this paper, we address this challenge using a combination of ab initio approaches, namely, a quantum treatment of IR spectrum using the ab initio WHBB water potential energy surface and a refined ab initio dipole moment surface. The quantum treatment is based on the embedded local monomer method, in which the three intramolecular modes of each embedded H{sub 2}O monomer are fully coupled and also coupled singly to each of six intermolecular modes. The new dipole moment surface consists of a previous spectroscopically accurate 1-body dipole moment surface and a newly fitted ab initio intrinsic 2-body dipole moment. A detailed analysis of the new dipole moment surface in terms of the coordinate dependence of the effective atomic charges is done along with tests of it for the water dimer and prism hexamer double-harmonic spectra against direct ab initio calculations. The liquid configurations are taken from previous molecular dynamics calculations of Skinner and co-workers, using the TIP4P plus E3B rigid monomer water potential. The IR spectrum of water at 300 K in the range of 0–4000 cm{sup −1} is calculated and compared with experiment, using the ab initio WHBB potential and new ab initio dipole moment, the q-TIP4P/F potential, which has a fixed-charged description of the dipole moment, and the TTM3-F potential and dipole moment surfaces. The newly calculated ab initio spectrum is in very good agreement with experiment throughout the above spectral range, both in band positions and intensities. This contrasts to results with the other potentials and dipole moments, especially the fixed-charge q-TIP4P/F model, which gives unrealistic intensities. The calculated ab initio spectrum is analyzed by examining the contribution of various transitions to each band.

  6. Plasma column displacement measurements by modified Rogowski sine-coil and Biot-Savart/magnetic flux equation solution on IR-T1 tokamak

    SciTech Connect (OSTI)

    Razavi, M.; Mollai, M.; Khorshid, P.; Nedzelskiy, I.; Ghoranneviss, M.

    2010-05-15

    The modified Rogowski sine-coil (MRSC) has been designed and implemented for the plasma column horizontal displacement measurements on small IR-T1 tokamak. MRSC operation has been examined on test assembly and tokamak. Obtained results show high sensitivity to the plasma column horizontal displacement and negligible sensitivity to the vertical displacement; linearity in wide, {+-}0.1 m, range of the displacements; and excellent, 1.5%, agreement with the results of numerical solution of Biot-Savart and magnetic flux equations.

  7. FT-IR and thermoluminescence investigation of P{sub 2}O{sub 5}-BaO-K{sub 2}O glass system

    SciTech Connect (OSTI)

    Ivascu, C.; Timar-Gabor, A.; Cozar, O.

    2013-11-13

    The 0.5P{sub 2}O{sub 5}⋅xBaO⋅(0.5−x)K{sub 2}O glass system (0≤x≤0.5mol%) is investigated by FT-IR and thermoluminescence as a possible dosimetic material. FT-IR spectra show structural network modifications with the composition variations of the studied glasses. The predominant absorption bands are characterized by two broad peaks near 500 cm{sup −1}, two weak peaks around 740 cm{sup −1} and three peaks in the 900–1270 cm{sup −1} region. The shift in the position of the band assigned to asymmetric stretching of PO{sub 2}{sup −} group, υ{sub as}(PO{sub 2}{sup −}) modes from ∼1100 cm{sup −1} to 1085 cm{sup −1} and the decrease in its relative intensity with the increasing of K{sub 2}O content shows a network modifier role of this oxide.. Luminescence investigations show that by adding modifier oxides in the phosphate glass a dose dependent TL signals result upon irradiation. Thus P{sub 2}O{sub 5}–BaO–K{sub 2}O glass system is a possible candidate material for dosimetry in the dose 0 – 50 Gy range.

  8. Phenomenological study of the interplay between IR-improved DGLAP-CS theory and the precision of an NLO ME matched parton shower MC

    SciTech Connect (OSTI)

    Majhi, S.K.; Mukhopadhyay, A.; Ward, B.F.L.; Yost, S.A.

    2014-11-15

    We present a phenomenological study of the current status of the application of our approach of exact amplitude-based resummation in quantum field theory to precision QCD calculations, by realistic MC event generator methods, as needed for precision LHC physics. We discuss recent results as they relate to the interplay of the attendant IR-improved DGLAP-CS theory of one of us and the precision of exact NLO matrix-element matched parton shower MC’s in the Herwig6.5 environment as determined by comparison to recent LHC experimental observations on single heavy gauge boson production and decay. The level of agreement between the new theory and the data continues to be a reason for optimism. In the spirit of completeness, we discuss as well other approaches to the same theoretical predictions that we make here from the standpoint of physical precision with an eye toward the (sub-)1% QCD⊗EW total theoretical precision regime for LHC physics. - Highlights: • Using LHC data, we show that IR-improved DGLAP-CS kernels with exact NLO Shower/ME matching improves MC precision. • We discuss other possible approaches in comparison with ours. • We propose experimental tests to discriminate between competing approaches.

  9. Putative quantum criticality in the (Cr{sub 90}Ir{sub 10}){sub 100−y}V{sub y} alloy system

    SciTech Connect (OSTI)

    Fernando, P. R.; Prinsloo, A. R. E. Sheppard, C. J.; Lodya, L.

    2014-05-07

    Quantum criticality (QC) in spin-density-wave antiferromagnetic Cr and Cr alloy systems is a topic of current interest. In the present study, V was used as a tuning parameter to drive the Néel transition temperature (T{sub N}) of the (Cr{sub 90}Ir{sub 10}){sub 100−y}V{sub y} alloy series with 0 ≤ y ≤ 14.3 to zero and search for effects of QC in the process. The magnetic properties and possible QC behaviour (QCB) in this alloy system were investigated through electrical resistivity (ρ), specific heat (C{sub p}), and susceptibility (χ) measurements as a function of temperature (T), indicating that T{sub N} is suppressed to zero at a critical concentration y{sub c} ≈ 9. The Sommerfeld coefficient (γ) is considered a key indicator of QCB and a peak is observed in γ(y) at y{sub c} on decreasing y through this concentration, followed by a sharp decreasing trend. This behaviour is reminiscent of that observed for γ of the prototypical Cr{sub 100−x}V{sub x} QC system and allows for the classification of y{sub c} in the (Cr{sub 90}Ir{sub 10}){sub 100−y}V{sub y} alloy system as a possible QC point.

  10. IR and SFG vibrational spectroscopy of the water bend in the bulk liquid and at the liquid-vapor interface, respectively

    SciTech Connect (OSTI)

    Ni, Yicun; Skinner, J. L.

    2015-07-07

    Vibrational spectroscopy of the water bending mode has been investigated experimentally to study the structure of water in condensed phases. In the present work, we calculate the theoretical infrared (IR) and sum-frequency generation (SFG) spectra of the HOH bend in liquid water and at the water liquid/vapor interface using a mixed quantum/classical approach. Classical molecular dynamics simulation is performed by using a recently developed water model that explicitly includes three-body interactions and yields a better description of the water surface. Ab-initio-based transition frequency, dipole, polarizability, and intermolecular coupling maps are developed for the spectral calculations. The calculated IR and SFG spectra show good agreement with the experimental measurements. In the theoretical imaginary part of the SFG susceptibility for the water liquid/vapor interface, we find two features: a negative band centered at 1615 cm{sup −1} and a positive band centered at 1670 cm{sup −1}. We analyze this spectrum in terms of the contributions from molecules in different hydrogen-bond classes to the SFG spectral density and also compare to SFG results for the OH stretch. SFG of the water bending mode provides a complementary picture of the heterogeneous hydrogen-bond configurations at the water surface.

  11. A generic high-dose rate {sup 192}Ir brachytherapy source for evaluation of model-based dose calculations beyond the TG-43 formalism

    SciTech Connect (OSTI)

    Ballester, Facundo; Carlsson Tedgren, sa; Granero, Domingo; Haworth, Annette; Mourtada, Firas; Fonseca, Gabriel Paiva; Rivard, Mark J.; Siebert, Frank-Andr; Sloboda, Ron S.; and others

    2015-06-15

    Purpose: In order to facilitate a smooth transition for brachytherapy dose calculations from the American Association of Physicists in Medicine (AAPM) Task Group No. 43 (TG-43) formalism to model-based dose calculation algorithms (MBDCAs), treatment planning systems (TPSs) using a MBDCA require a set of well-defined test case plans characterized by Monte Carlo (MC) methods. This also permits direct dose comparison to TG-43 reference data. Such test case plans should be made available for use in the software commissioning process performed by clinical end users. To this end, a hypothetical, generic high-dose rate (HDR) {sup 192}Ir source and a virtual water phantom were designed, which can be imported into a TPS. Methods: A hypothetical, generic HDR {sup 192}Ir source was designed based on commercially available sources as well as a virtual, cubic water phantom that can be imported into any TPS in DICOM format. The dose distribution of the generic {sup 192}Ir source when placed at the center of the cubic phantom, and away from the center under altered scatter conditions, was evaluated using two commercial MBDCAs [Oncentra{sup } Brachy with advanced collapsed-cone engine (ACE) and BrachyVision ACUROS{sup TM}]. Dose comparisons were performed using state-of-the-art MC codes for radiation transport, including ALGEBRA, BrachyDose, GEANT4, MCNP5, MCNP6, and PENELOPE2008. The methodologies adhered to recommendations in the AAPM TG-229 report on high-energy brachytherapy source dosimetry. TG-43 dosimetry parameters, an along-away dose-rate table, and primary and scatter separated (PSS) data were obtained. The virtual water phantom of (201){sup 3} voxels (1 mm sides) was used to evaluate the calculated dose distributions. Two test case plans involving a single position of the generic HDR {sup 192}Ir source in this phantom were prepared: (i) source centered in the phantom and (ii) source displaced 7 cm laterally from the center. Datasets were independently produced by

  12. Superconducting and magnetic properties of Sr3Ir4Sn13

    SciTech Connect (OSTI)

    Biswas, P. K.; Amato, A.; Khasanov, R.; Luetkens, H.; Wang, Kefeng; Petrovic, C.; Cook, R. M.; Lees, M. R.; Morenzoni, E.

    2014-10-10

    In this research, magnetization and muon spin relaxation or rotation (SR) measurements have been performed to study the superconducting and magnetic properties of Sr?Ir?Sn??. From magnetization measurements the lower and upper critical fields of Sr?Ir?Sn?? are found to be 81(1) Oe and 14.4(2) kOe, respectively. Zero-field SR data show no sign of any magnetic ordering or weak magnetism in Sr?Ir?Sn??. Transverse-field SR measurements in the vortex state provided the temperature dependence of the magnetic penetration depth ?. The dependence of ?? with temperature is consistent with the existence of single s-wave energy gap in the superconducting state of Sr?Ir?Sn?? with a gap value of 0.82(2) meV at absolute zero temperature. The magnetic penetration depth at zero temperature ?(0) is 291(3) nm. The ratio ?(0)/kBTc = 2.1(1) indicates that Sr?Ir?Sn?? should be considered as a strong-coupling superconductor.

  13. Electronic excitations and structure of Li{sub 2}IrO{sub 3} thin films grown on ZrO{sub 2}:Y (001) substrates

    SciTech Connect (OSTI)

    Jenderka, Marcus Schmidt-Grund, Rüdiger; Grundmann, Marius; Lorenz, Michael

    2015-01-14

    Thin films are a prerequisite for application of the emergent exotic ground states in iridates that result from the interplay of strong spin-orbit coupling and electronic correlations. We report on pulsed laser deposition of Li{sub 2}IrO{sub 3} films on ZrO{sub 2}:Y (001) single crystalline substrates. X-ray diffraction confirms preferential (001) and (10-1) out-of-plane crystalline orientations with well defined in-plane orientation. Resistivity between 35 and 300 K is dominated by a three-dimensional variable range hopping mechanism. The dielectric function is determined by means of spectroscopic ellipsometry and, complemented by Fourier transform infrared transmission spectroscopy, reveals a small optical gap of ≈300 meV, a splitting of the 5d-t{sub 2g} manifold, and several in-gap excitations attributed to phonons and possibly magnons.

  14. Comparison of 3D dose distributions for HDR {sup 192}Ir brachytherapy sources with normoxic polymer gel dosimetry and treatment planning system

    SciTech Connect (OSTI)

    Senkesen, Oznur; Tezcanli, Evrim; Buyuksarac, Bora; Ozbay, Ismail

    2014-10-01

    Radiation fluence changes caused by the dosimeter itself and poor spatial resolution may lead to lack of 3-dimensional (3D) information depending on the features of the dosimeter and quality assurance of dose distributions for highdose rate (HDR) iridium-192 ({sup 192}Ir) brachytherapy sources is challenging and experimental dosimetry methods used for brachytherapy sources are limited. In this study, we investigated 3D dose distributions of {sup 192}Ir brachytherapy sources for irradiation with single and multiple dwell positions using a normoxic gel dosimeter and compared them with treatment planning system (TPS) calculations. For dose calibration purposes, 100-mL gel-containing vials were irradiated at predefined doses and then scanned in an magnetic resonance (MR) imaging unit. Gel phantoms prepared in 2 spherical glasses were irradiated with {sup 192}Ir for the calculated dwell positions, and MR scans of the phantoms were obtained. The images were analyzed with MATLAB software. Dose distributions and profiles derived with 1-mm resolution were compared with TPS calculations. Linearity was observed between the delivered dose and the reciprocal of the T2 relaxation time constant of the gel. The x-, y-, and z-axes were defined as the sagittal, coronal, and axial planes, respectively, the sagittal and axial planes were defined parallel to the long axis of the source while the coronal plane was defined horizontally to the long axis of the source. The differences between measured and calculated profile widths of 3-cm source length and point source for 70%, 50%, and 30% isodose lines were evaluated at 3 dose levels using 18 profiles of comparison. The calculations for 3-cm source length revealed a difference of > 3 mm in 1 coordinate at 50% profile width on the sagittal plane and 3 coordinates at 70% profile width and 2 coordinates at 50% and 30% profile widths on the axial plane. Calculations on the coronal plane for 3-cm source length showed > 3-mm difference in 1

  15. VERY BLUE UV-CONTINUUM SLOPE {beta} OF LOW LUMINOSITY z {approx} 7 GALAXIES FROM WFC3/IR: EVIDENCE FOR EXTREMELY LOW METALLICITIES?

    SciTech Connect (OSTI)

    Bouwens, R. J.; Illingworth, G. D.; Magee, D.; Trenti, M.; Stiavelli, M.; Franx, M.; Van Dokkum, P. G.; Labbe, I.

    2010-01-10

    We use the ultra-deep WFC3/IR data over the Hubble Ultra Deep Field and the Early Release Science WFC3/IR data over the CDF-South GOODS field to quantify the broadband spectral properties of candidate star-forming galaxies at z {approx} 7. We determine the UV-continuum slope {beta} in these galaxies, and compare the slopes with galaxies at later times to measure the evolution in {beta}. For luminous L* {sub z=3} galaxies, we measure a mean UV-continuum slope {beta} of -2.0 {+-} 0.2, which is comparable to the {beta} {approx} -2 derived at similar luminosities at z {approx} 5-6. However, for the lower luminosity 0.1L* {sub z=3} galaxies, we measure a mean {beta} of -3.0 {+-} 0.2. This is substantially bluer than is found for similar luminosity galaxies at z {approx} 4, just 800 Myr later, and even at z {approx} 5-6. In principle, the observed {beta} of -3.0 can be matched by a very young, dust-free stellar population, but when nebular emission is included the expected {beta} becomes {>=}-2.7. To produce these very blue {beta}s (i.e., {beta} {approx} -3), extremely low metallicities and mechanisms to reduce the red nebular emission seem to be required. For example, a large escape fraction (i.e., f {sub esc} {approx}> 0.3) could minimize the contribution from this red nebular emission. If this is correct and the escape fraction in faint z {approx} 7 galaxies is {approx}>0.3, it may help to explain how galaxies reionize the universe.

  16. Measuring galaxy clustering and the evolution of [C II] mean intensity with far-IR line intensity mapping during 0.5 < z < 1.5

    SciTech Connect (OSTI)

    Uzgil, B. D.; Aguirre, J. E.; Lidz, A.; Bradford, C. M.

    2014-10-01

    Infrared fine-structure emission lines from trace metals are powerful diagnostics of the interstellar medium in galaxies. We explore the possibility of studying the redshifted far-IR fine-structure line emission using the three-dimensional (3D) power spectra obtained with an imaging spectrometer. The intensity mapping approach measures the spatio-spectral fluctuations due to line emission from all galaxies, including those below the individual detection threshold. The technique provides 3D measurements of galaxy clustering and moments of the galaxy luminosity function. Furthermore, the linear portion of the power spectrum can be used to measure the total line emission intensity including all sources through cosmic time with redshift information naturally encoded. Total line emission, when compared to the total star formation activity and/or other line intensities, reveals evolution of the interstellar conditions of galaxies in aggregate. As a case study, we consider measurement of [C II] autocorrelation in the 0.5 < z < 1.5 epoch, where interloper lines are minimized, using far-IR/submillimeter balloon-borne and future space-borne instruments with moderate and high sensitivity, respectively. In this context, we compare the intensity mapping approach to blind galaxy surveys based on individual detections. We find that intensity mapping is nearly always the best way to obtain the total line emission because blind, wide-field galaxy surveys lack sufficient depth and deep pencil beams do not observe enough galaxies in the requisite luminosity and redshift bins. Also, intensity mapping is often the most efficient way to measure the power spectrum shape, depending on the details of the luminosity function and the telescope aperture.

  17. PHOTOMETRIC CONSTRAINTS ON THE REDSHIFT OF z {approx} 10 CANDIDATE UDFj-39546284 FROM DEEPER WFC3/IR+ACS+IRAC OBSERVATIONS OVER THE HUDF

    SciTech Connect (OSTI)

    Bouwens, R. J.; Labbe, I.; Franx, M.; Smit, R.; Oesch, P. A.; Illingworth, G. D.; Magee, D.; Gonzalez, V.; Brammer, G.; Spitler, L. R.; Trenti, M.; Carollo, C. M.

    2013-03-01

    Ultra-deep WFC3/IR observations on the HUDF from the HUDF09 program revealed just one plausible z {approx} 10 candidate, UDFj-39546284. UDFj-39546284 had all the properties expected of a galaxy at z {approx} 10 showing (1) no detection in the deep ACS+WFC3 imaging data blueward of the F160W band, exhibiting (2) a blue spectral slope redward of the break, and showing (3) no prominent detection in deep IRAC observations. The new, similarly deep WFC3/IR HUDF12 F160W observations over the HUDF09/XDF allow us to further assess this candidate. These observations show that this candidate, previously only detected at {approx}5.9{sigma} in a single band, clearly corresponds to a real source. It is detected at {approx}5.3{sigma} in the new H{sub 160}-band data and at {approx}7.8{sigma} in the full 85-orbit H{sub 160}-band stack. Interestingly, the non-detection of the source (<1{sigma}) in the new F140W observations suggests a higher redshift. Formally, the best-fit redshift of the source utilizing all the WFC3+ACS (and IRAC+K{sub s} -band) observations is 11.8 {+-} 0.3. However, we consider the z {approx} 12 interpretation somewhat unlikely, since the source would either need to be {approx}20 Multiplication-Sign more luminous than expected or show very high-EW Ly{alpha} emission (which seems improbable given the extensive neutral gas prevalent early in the reionization epoch). Lower-redshift solutions fail if only continuum models are allowed. Plausible lower-redshift solutions require that the H{sub 160}-band flux be dominated by line emission such as H{alpha} or [O III] with extreme EWs. The tentative detection of line emission at 1.6 {mu}m in UDFj-39546284 in a companion paper suggests that such emission may have already been found.

  18. Electronic and magnetic transitions in perovskite SrRu{sub 1-x}Ir{sub x}O{sub 3} thin films

    SciTech Connect (OSTI)

    Biswas, Abhijit; Lee, Yong Woo; Jeong, Yoon Hee

    2015-09-07

    We have investigated the electronic and magnetic properties of perovskite SrRu{sub 1−x}Ir{sub x}O{sub 3} (0.0≤ x ≤ 0.25) thin films grown by pulsed laser deposition on atomically flat (001) SrTiO{sub 3} substrates. SrRuO{sub 3} has the properties of a ferromagnetic metal (resistivity ρ ∼ 200 μΩ · cm at T = 300 K) with Curie temperature T{sub C} ∼ 150 K. Substituting Ir (5d{sup 5+}) for Ru (4d{sup 4+}) in SrRuO{sub 3}, films (0.0 ≤ x ≤ 0.20) showed fully metallic behavior and ferromagnetic ordering, although ρ increased and the ferromagnetic T{sub C} decreased. Films with x = 0.25 underwent the metal-to-insulator transition (T{sub MIT}∼75 K) in ρ, and spin-glass-like ordering (T{sub SG}∼45 K) with the elimination of ferromagnetic long-range ordering caused by the electron localization at the substitution sites. In ferromagnetic films (0.0 ≤ x ≤ 0.20), ρ increased near-linearly with T at T > T{sub C}, but in paramagnetic film (x = 0.25) ρ increased as T{sup 3/2} at T > T{sub MIT}. Moreover, observed spin-glass-like (T{sub SG}) ordering with the negative magnetoresistance at T < T{sub MIT} in film with x = 0.25 validates the hypothesis that (Anderson) localization favors glassy ordering at amply disorder limit. These observations provide a promising approach for future applications and of fundamental interest in 4d and 5d mixed perovskites.

  19. Identification of {gamma} rays from {sup 172}Au and {alpha} decays of {sup 172}Au, {sup 168}Ir, and {sup 164}Re

    SciTech Connect (OSTI)

    Hadinia, B.; Cederwall, B.; Andgren, K.; Baeck, T.; Johnson, A.; Khaplanov, A.; Wyss, R.; Page, R. D.; Grahn, T.; Paul, E. S.; Sandzelius, M.; Scholey, C.; Greenlees, P. T.; Jakobsson, U.; Jones, P. M.; Julin, R.; Juutinen, J.; Ketelhut, S.; Leino, M.; Nyman, M.

    2009-12-15

    The very neutron deficient odd-odd nucleus {sup 172}Au was studied in reactions of 342 and 348 MeV {sup 78}Kr beams with an isotopically enriched {sup 96}Ru target. The {alpha} decays previously reported for {sup 172}Au were confirmed and the decay chain extended down to {sup 152}Tm through the discovery of a new {alpha}-decaying state in {sup 164}Re[E{sub {alpha}}=5623(10) keV; t{sub 1/2}=864{sub -110}{sup +150} ms; b{sub {alpha}}=3(1)%]. Fine structure in these {alpha} decays of {sup 172}Au and {sup 168}Ir were identified. A new {alpha}-decaying state was also observed and assigned as the ground state in {sup 172}Au[E{sub {alpha}}=6762(10) keV; t{sub 1/2}=22{sub -5}{sup +6} ms]. This decay chain was also correlated down to {sup 152}Tm through previously reported {alpha} decays. Prompt {gamma} rays from excited states in {sup 172}Au have been identified using the recoil-decay tagging technique. The partial level scheme constructed for {sup 172}Au indicates that it has an irregular structure. Possible configurations of the {alpha}-decaying states in {sup 172}Au are discussed in terms of the systematics of nuclei in this region and total Routhian surface calculations.

  20. Initial activity of reduced chromia/alumina catalyst in n-butane dehydrogenation monitored by on-line FT-IR gas analysis

    SciTech Connect (OSTI)

    Hakuli, A.; Kytoekivi, A.; Suntola, T.

    1996-06-01

    The initial activity of chromia/alumina catalyst (13 wt% Cr) in n-butane dehydrogenation was studied in a flow reactor at 853 K. The initial activity was determined by on-line FT-IR gas analysis, which enabled sampling of the gaseous product mixture at a time resolution of seconds. The catalysts were processed in repeated cycles of oxidation, reduction, and dehydrogenation using n-butane, methane, hydrogen, or carbon monoxide as reducing agents. With n-butane, methane, and hydrogen and dehydrogenation activity was associated with Cr{sup 3+} species apparently formed in the reduction of high-valence Cr species. The catalyst reduced with carbon monoxide at 853 K showed poor initial selectivity for butenes and, relative to the other catalysts. Simultaneous data relating the initial activity, coke content, and some of the physicochemical properties of the catalyst indicated that the surfaces of all catalysts were modified to some extent by the successive reaction cycles. 33 refs., 7 figs., 2 tabs.

  1. The Calculation Of Absorbing Thin Film Optical Constants And Electronic Structure From Photometric Measures On Domain IR-VIS-UV Using Neural Networks

    SciTech Connect (OSTI)

    Bourouis, Chahrazed; Meddour, Ahcene; Moussaoui, Abdelkrim

    2008-09-23

    In this paper a new method using the combination of Neural Networks and the Newton-Raphson algorithm is developped. The technique consists of the use of the solution obtained by Newton-Raphson algorithm between 0.5 and 2.1eV for pure manganese (Mn) and for the amorphous metallic alloy Al{sub 88}Mn{sub 12}, to construct two parts of datasets; the first one is used for training the neural network and the second one for the validation tests. The validated neural network model is applied to the determination of optical constants of the two materials Mn and Al{sub 88}Mn{sub 12} in the range of 0.5 and 6.2eV (IR-VIS-UV). The results obtained over all the studied energy range are used to trace back to dielectric function, optical absorption and electronic structure of the same material. By using the partial solution obtained by Newton-Raphson as a database of the neural network prediction model, it is shown that the obtained results are in accordance with those of the literature which consolidate the efficiency of the suggested approach.

  2. Highly robust hydrogen generation by bio-inspired Ir complexes for dehydrogenation of formic acid in water: Experimental and theoretical mechanistic investigations at different pH

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Wang, Wan -Hui; Fujita, Etsuko; Ertem, Mehmed Z.; Xu, Shaoan; Onishi, Naoya; Manaka, Yuichi; Suna, Yuki; Kambayashi, Hide; Muckerman, James T.; Himeda, Yuichiro

    2015-07-30

    Hydrogen generation from formic acid (FA), one of the most promising hydrogen storage materials, has attracted much attention due to the demand for the development of renewable energy carriers. Catalytic dehydrogenation of FA in an efficient and green manner remains challenging. Here, we report a series of bio-inspired Ir complexes for highly robust and selective hydrogen production from FA in aqueous solutions without organic solvents or additives. One of these complexes bearing an imidazoline moiety (complex 6) achieved a turnover frequency (TOF) of 322,000 h⁻¹ at 100 °C, which is higher than ever reported. The novel catalysts are very stablemore » and applicable in highly concentrated FA. For instance, complex 3 (1 μmol) affords an unprecedented turnover number (TON) of 2,050,000 at 60 °C. Deuterium kinetic isotope effect experiments and density functional theory (DFT) calculations employing a “speciation” approach demonstrated a change in the rate-determining step with increasing solution pH. This study provides not only more insight into the mechanism of dehydrogenation of FA but also offers a new principle for the design of effective homogeneous organometallic catalysts for H₂ generation from FA.« less

  3. THE NASA AMES PAH IR SPECTROSCOPIC DATABASE VERSION 2.00: UPDATED CONTENT, WEB SITE, AND ON(OFF)LINE TOOLS

    SciTech Connect (OSTI)

    Boersma, C.; Mattioda, A. L.; Allamandola, L. J.; Bauschlicher, C. W. Jr.; Ricca, A.; Cami, J.; Peeters, E.; De Armas, F. Sánchez; Saborido, G. Puerta; Hudgins, D. M.

    2014-03-01

    A significantly updated version of the NASA Ames PAH IR Spectroscopic Database, the first major revision since its release in 2010, is presented. The current version, version 2.00, contains 700 computational and 75 experimental spectra compared, respectively, with 583 and 60 in the initial release. The spectra span the 2.5-4000 μm (4000-2.5 cm{sup -1}) range. New tools are available on the site that allow one to analyze spectra in the database and compare them with imported astronomical spectra as well as a suite of IDL object classes (a collection of programs utilizing IDL's object-oriented programming capabilities) that permit offline analysis called the AmesPAHdbIDLSuite. Most noteworthy among the additions are the extension of the computational spectroscopic database to include a number of significantly larger polycyclic aromatic hydrocarbons (PAHs), the ability to visualize the molecular atomic motions corresponding to each vibrational mode, and a new tool that allows one to perform a non-negative least-squares fit of an imported astronomical spectrum with PAH spectra in the computational database. Finally, a methodology is described in the Appendix, and implemented using the AmesPAHdbIDLSuite, that allows the user to enforce charge balance during the fitting procedure.

  4. Highly robust hydrogen generation by bio-inspired Ir complexes for dehydrogenation of formic acid in water: Experimental and theoretical mechanistic investigations at different pH

    SciTech Connect (OSTI)

    Wang, Wan -Hui; Fujita, Etsuko; Ertem, Mehmed Z.; Xu, Shaoan; Onishi, Naoya; Manaka, Yuichi; Suna, Yuki; Kambayashi, Hide; Muckerman, James T.; Himeda, Yuichiro

    2015-07-30

    Hydrogen generation from formic acid (FA), one of the most promising hydrogen storage materials, has attracted much attention due to the demand for the development of renewable energy carriers. Catalytic dehydrogenation of FA in an efficient and green manner remains challenging. Here, we report a series of bio-inspired Ir complexes for highly robust and selective hydrogen production from FA in aqueous solutions without organic solvents or additives. One of these complexes bearing an imidazoline moiety (complex 6) achieved a turnover frequency (TOF) of 322,000 h⁻¹ at 100 °C, which is higher than ever reported. The novel catalysts are very stable and applicable in highly concentrated FA. For instance, complex 3 (1 μmol) affords an unprecedented turnover number (TON) of 2,050,000 at 60 °C. Deuterium kinetic isotope effect experiments and density functional theory (DFT) calculations employing a “speciation” approach demonstrated a change in the rate-determining step with increasing solution pH. This study provides not only more insight into the mechanism of dehydrogenation of FA but also offers a new principle for the design of effective homogeneous organometallic catalysts for H₂ generation from FA.

  5. Microsoft Word - S07118_IR

    Office of Legacy Management (LM)

    ... U.S. Department of Energy 2010 Annual Inspection-Monticello, Utah December 2010 Doc. No. ... 10). 2.1.4 Pond 4 Pond 4 is a lined solar evaporation pond that collects water ...

  6. Broadly tunable picosecond IR source

    DOE Patents [OSTI]

    Campillo, Anthony J.; Hyer, Ronald C.; Shapiro, Stanley J.

    1982-01-01

    A picosecond traveling-wave parametric device capable of controlled spectral bandwidth and wavelength in the infrared is reported. Intense 1.064 .mu.m picosecond pulses (1) pass through a 4.5 cm long LiNbO.sub.3 optical parametric oscillator crystal (2) set at its degeneracy angle. A broad band emerges, and a simple grating (3) and mirror (4) arrangement is used to inject a selected narrow-band into a 2 cm long LiNbO.sub.3 optical parametric amplifier crystal (5) along a second pump line. Typical input energies at 1.064 .mu.m along both pump lines are 6-8 mJ for the oscillator and 10 mJ for the amplifier. This yields 1 mJ of tunable output in the range 1.98 to 2.38 .mu.m which when down-converted in a 1 cm long CdSe crystal mixer (6) gives 2 .mu.J of tunable radiation over the 14.8 to 18.5 .mu.m region. The bandwidth and wavelength of both the 2 and 16 .mu.m radiation output are controlled solely by the diffraction grating.

  7. Broadly tunable picosecond ir source

    DOE Patents [OSTI]

    Campillo, A.J.; Hyer, R.C.; Shapiro, S.L.

    1980-04-23

    A picosecond traveling-wave parametric device capable of controlled spectral bandwidth and wavelength in the infrared is reported. Intense 1.064 ..mu..m picosecond pulses (1) pass through a 4.5 cm long LiNbO/sub 3/ optical parametric oscillator crystal (2) set at its degeneracy angle. A broad band emerges, and a simple grating (3) and mirror (4) arrangement is used to inject a selected narrow-band into a 2 cm long LiNbO/sub 3/ optical parametric amplifier crystal (5) along a second pump line. Typical input energies at 1.064 ..mu..m along both pump lines are 6 to 8 mJ for the oscillator and 10 mJ for the amplifier. This yields 1 mJ of tunable output in the range 1.98 to 2.38 ..mu..m which when down-converted in a 1 cm long CdSe crystal mixer (6) gives 2 ..mu..J of tunable radiation over the 14.8 to 18.5 ..mu..m region. The bandwidth and wavelength of both the 2 and 16 ..mu..m radiation output are controlled solely by the diffraction grating.

  8. Unstable spin-ice order in the stuffed metallic pyrochlore Pr2+xIr2-xO7-δ

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    MacLaughlin, D. E.; Bernal, O. O.; Shu, Lei; Ishikawa, Jun; Matsumoto, Yosuke; Wen, Jia -Jia; Mourigal, Martin P.; Stock, C.; Ehlers, Georg; Broholm, C. L.; et al

    2015-08-24

    Specific heat, elastic neutron scattering, and muon spin rotation experiments have been carried out on a well-characterized sample of “stuffed” (Pr-rich) Pr2+xIr2-xO7-δ. Elastic neutron scattering shows the onset of long-range spin-ice “2-in/2-out” magnetic order at 0.93 kelvin, with an ordered moment of 1.7(1) Bohr magnetons per Pr ion at low temperatures. Approximate lower bounds on the correlation length and correlation time in the ordered state are 170 angstroms and 0.7 nanosecond, respectively. Muon spin rotation experiments yield an upper bound 2.6(7) milliteslas on the local field B4floc at the muon site, which is nearly two orders of magnitude smaller thanmore » the expected dipolar field for long-range spin-ice ordering of 1.7-Bohr magneton moments (120–270 milliteslas, depending on the muon site). This shortfall is due in part to splitting of the non-Kramers crystal-field ground-state doublets of near-neighbor Pr3+ ions by the positive-muon-induced lattice distortion. For this to be the only effect, however, ~160 Pr moments out to a distance of ~14 angstroms must be suppressed. An alternative scenario—one consistent with the observed reduced nuclear hyperfine Schottky anomaly in the specific heat—invokes slow correlated Pr-moment fluctuations in the ordered state that average B4floc on the μSR time scale (~10-7 second), but are static on the time scale of the elastic neutron scattering experiments (~10-9 second). In this picture, the dynamic muon relaxation suggests a Pr3+ 4f correlation time of a few nanoseconds, which should be observable in a neutron spin echo experiment.« less

  9. NEW ACCURATE MEASUREMENT OF {sup 36}ArH{sup +} AND {sup 38}ArH{sup +} RO-VIBRATIONAL TRANSITIONS BY HIGH RESOLUTION IR ABSORPTION SPECTROSCOPY

    SciTech Connect (OSTI)

    Cueto, M.; Herrero, V. J.; Tanarro, I.; Doménech, J. L.; Cernicharo, J.; Barlow, M. J.; Swinyard, B. M.

    2014-03-01

    The protonated argon ion, {sup 36}ArH{sup +}, was recently identified in the Crab Nebula from Herschel spectra. Given the atmospheric opacity at the frequency of its J = 1-0 and J = 2-1 rotational transitions (617.5 and 1234.6 GHz, respectively), and the current lack of appropriate space observatories after the recent end of the Herschel mission, future studies on this molecule will rely on mid-infrared observations. We report on accurate wavenumber measurements of {sup 36}ArH{sup +} and {sup 38}ArH{sup +} rotation-vibration transitions in the v = 1-0 band in the range 4.1-3.7 μm (2450-2715 cm{sup –1}). The wavenumbers of the R(0) transitions of the v = 1-0 band are 2612.50135 ± 0.00033 and 2610.70177 ± 0.00042 cm{sup –1} (±3σ) for {sup 36}ArH{sup +} and {sup 38}ArH{sup +}, respectively. The calculated opacity for a gas thermalized at a temperature of 100 K and with a linewidth of 1 km s{sup –1} of the R(0) line is 1.6 × 10{sup –15} × N({sup 36}ArH{sup +}). For column densities of {sup 36}ArH{sup +} larger than 1 × 10{sup 13} cm{sup –2}, significant absorption by the R(0) line can be expected against bright mid-IR sources.

  10. Unstable spin-ice order in the stuffed metallic pyrochlore Pr2+xIr2-xO7-δ

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    MacLaughlin, D. E.; Bernal, O. O.; Shu, Lei; Ishikawa, Jun; Matsumoto, Yosuke; Wen, Jia -Jia; Mourigal, Martin P.; Stock, C.; Ehlers, Georg; Broholm, C. L.; et al

    2015-08-24

    Specific heat, elastic neutron scattering, and muon spin rotation experiments have been carried out on a well-characterized sample of “stuffed” (Pr-rich) Pr2+xIr2-xO7-δ. Elastic neutron scattering shows the onset of long-range spin-ice “2-in/2-out” magnetic order at 0.93 kelvin, with an ordered moment of 1.7(1) Bohr magnetons per Pr ion at low temperatures. Approximate lower bounds on the correlation length and correlation time in the ordered state are 170 angstroms and 0.7 nanosecond, respectively. Muon spin rotation experiments yield an upper bound 2.6(7) milliteslas on the local field B4floc at the muon site, which is nearly two orders of magnitude smaller thanmore »the expected dipolar field for long-range spin-ice ordering of 1.7-Bohr magneton moments (120–270 milliteslas, depending on the muon site). This shortfall is due in part to splitting of the non-Kramers crystal-field ground-state doublets of near-neighbor Pr3+ ions by the positive-muon-induced lattice distortion. For this to be the only effect, however, ~160 Pr moments out to a distance of ~14 angstroms must be suppressed. An alternative scenario—one consistent with the observed reduced nuclear hyperfine Schottky anomaly in the specific heat—invokes slow correlated Pr-moment fluctuations in the ordered state that average B4floc on the μSR time scale (~10-7 second), but are static on the time scale of the elastic neutron scattering experiments (~10-9 second). In this picture, the dynamic muon relaxation suggests a Pr3+ 4f correlation time of a few nanoseconds, which should be observable in a neutron spin echo experiment.« less

  11. Penetration depth and absorption mechanisms of spin currents in Ir{sub 20}Mn{sub 80} and Fe{sub 50}Mn{sub 50} polycrystalline films by ferromagnetic resonance and spin pumping

    SciTech Connect (OSTI)

    Merodio, P.; Ghosh, A.; Lemonias, C.; Gautier, E.; Ebels, U.; Chshiev, M.; Béa, H. E-mail: helene.bea@cea.fr; Baltz, V. E-mail: helene.bea@cea.fr

    2014-01-20

    Spintronics relies on the spin dependent transport properties of ferromagnets (Fs). Although antiferromagnets (AFs) are used for their magnetic properties only, some fundamental F-spintronics phenomena like spin transfer torque, domain wall motion, and tunnel anisotropic magnetoresistance also occur with AFs, thus making AF-spintronics attractive. Here, room temperature critical depths and absorption mechanisms of spin currents in Ir{sub 20}Mn{sub 80} and Fe{sub 50}Mn{sub 50} are determined by F-resonance and spin pumping. In particular, we find room temperature critical depths originating from different absorption mechanisms: dephasing for Ir{sub 20}Mn{sub 80} and spin flipping for Fe{sub 50}Mn{sub 50}.

  12. Lab interdependencies and the advanced design and production technologies (ADaPT) initiative

    SciTech Connect (OSTI)

    Hayes, D.

    1995-10-01

    I am delighted to be here today. I was left with a very strong impression this morning about the large degree of integration that has been achieved in the science-based stockpile stewardship program in the last year. When Vic Reis convened this program last February, many of you same people from Energy Research, Defense Programs, and the external community were there. We talked about areas of investments: in credible capability and industrial interaction, the impact on the research community, and so on. The product was the published quality function deployment chart. The activities on the chart were important, but they did not have coherence. In listening to the presentations this morning, particularly the last four, I hear a high degree of coherence and integration, which is very pleasing.

  13. ADA/SCADA RTU protocol based on the 3-layer UCA model

    SciTech Connect (OSTI)

    Adamo, V.P.

    1995-12-31

    This paper describes an implementation of a DA/SCADA RTU communication protocol based on the 3-layer reference model for wide area networks specified in the Utility Communications Architecture (UCA) VL1.0. This protocol is based on the following international standards: EIA-232-D, High-level Data Link Control (HDLC) [ISO/IEC 3309], and Manufacturing Message Specification (MMS) [ISO/IEC 95061]. A description of the HDLC frame structure used in this implementation is provided. This includes a description of the extended transparency option for Start/Stop transmission, commonly referred to as {open_quotes}asynchronous HDLC{close_quotes}. This option allows for the transmission of HDLC frames using inexpensive asynchronous communication hardware. The data link topology described in this paper is an unbalanced, point-to-multipoint topology consisting of one primary, or, master station, and multiple secondary, or remote, stations. The data link operates in the Normal Response Mode (NRM). In this mode a secondary station may initiate transmissions only as a result of receiving explicit permission to do so from the primary station. The application layer protocol described in this paper is an implementation of the Manufacturing Message Specification (MMS). The MMS device model, or Virtual Manufacturing Device (VMD), for a DA/SCADA Remote Terminal Unit is provided. The current VMD model provides a view of common RTU data types, plus, A/C Input (ACI) data including phasor magnitude and mean readings, harmonics, and overcurrent alarm information.

  14. Electronic and chemical structure of an organic light emitter embedded in an inorganic wide-bandgap semiconductor: Photoelectron spectroscopy of layered and composite structures of Ir(BPA) and ZnSe

    SciTech Connect (OSTI)

    Dimamay, Mariel; Mayer, Thomas; Jaegermann, Wolfram; Hadziioannou, Georges

    2015-05-07

    Luminescent organic phases embedded in conductive inorganic matrices are proposed for hybrid organic-inorganic light-emitting diodes. In this configuration, the organic dye acts as the radiative recombination site for charge carriers injected into the inorganic matrix. Our investigation is aimed at finding a material combination where the highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) of the organic dye are situated in between the valence and conduction bands of the inorganic matrix in order to promote electron and hole transfer from the matrix to the dye. Bilayer and composite thin films of zinc selenide (ZnSe) and a red iridium complex (Ir(BPA)) organic light emitter were prepared in situ via UHV thermal evaporation technique. The electronic and atomic structures were studied applying X-ray and ultraviolet photoelectron spectroscopies. The measured energy band alignments for the ZnSe/Ir(BPA) bilayer and ZnSe+Ir(BPA) composite reveal that the HOMO and LUMO of the organic dye are positioned in the ZnSe bandgap. For the initial steps of ZnSe deposition on a dye film to form Ir(BPA)/ZnSe bilayers, zinc atoms intercalate into the dye film leaving behind an excess of selenium at the interface that partly reacts with dye molecules. Photoelectron spectroscopy of the composites shows the same species suggesting a similar mechanism. This mechanism leads to composite films with increased content of amorphous phases in the inorganic matrix, thereby affecting its conductivity, as well as to the presence of nonradiative recombination sites provided by the intercalated Zn atoms.

  15. Eu3Ir2In15: A mixed-valent and vacancy-filled variant of the Sc5Co4Si10 structure type with anomalous magnetic properties

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Sarkar, Sumanta; Jana, Rajkumar; Siva, Ramesh; Banerjee, Swastika; Pati, Swapan K.; Balasubramanian, Mahalingam; Peter, Sebastian C.

    2015-10-27

    Here, a new compound, Eu3Ir2In15 has been synthesized using indium as an active metal flux. The compound crystallizes in tetragonal P4/mbm space group with lattice parameters, a = 14.8580(4) Å, b = 14.8580(4) Å, c = 4.3901(2) Å. It was further characterized by SEM-EDX studies. The temperature dependent magnetic susceptibility suggests that Eu in this compound is exclusively in divalent state. The effective magnetic moment (μeff) of this compound is 7.35 μB/Eu ion with paramagnetic Curie temperature (θp) of -28 K suggesting antiferromagnetic interaction. The mixed valent nature of Eu observed in magnetic measurements was confirmed by XANES measurements. Themore » compound undergoes demagnetization at a low magnetic field (10 Oe), which is quite unusual for Eu based intermetallic compounds. Temperature dependent resistivity studies reveal that the compound is metallic in nature. A comparative study was made between Eu3Ir2In15 and hypothetical vacancy variant Eu5Ir4In10 which also crystallizes in the same crystal structure However our computational studies along with control experiments suggest that the latter is thermodynamically less feasible compared to the former and hence we proposed that it is highly unlikely that a RE5T4X10 would exist with X as a group 13 elements.« less

  16. Evolution of competing magnetic order in the Jeff=1/2 insulating state of Sr2Ir1-xRuxO4

    SciTech Connect (OSTI)

    Calder, Stuart A.; Kim, Jong-Woo; Cao, Guixin; Cantoni, Claudia; May, Andrew F; Cao, Huibo B.; Aczel, Adam A.; Matsuda, Masaaki; Choi, Yongseong; Haskel, Daniel; Sales, B. C.; Mandrus, David; Lumsden, Mark D.; Christianson, Andrew D.

    2015-10-27

    We investigate the magnetic properties of the series Sr2Ir1-xRuxO4 with neutron, resonant x-ray and magnetization measurements. The results indicate an evolution and coexistence of magnetic structures via a spin flop transition from ab-plane to c-axis collinear order as the 5d Ir4+ ions are replaced with an increasing concentration of 4d Ru4+ ions. The magnetic structures within the ordered regime of the phase diagram (x<0.3) are reported. Despite the changes in magnetic structure no alteration of the Jeff=1/2 ground state is observed. This behavior of Sr2Ir1-xRuxO4 is consistent with electronic phase separation and diverges from a standard scenario of hole doping. The role of lattice alterations with doping on the magnetic and insulating behavior is considered. Our results presented here provide insight into the magnetic insulating states in strong spin-orbit coupled materials and the role perturbations play in altering the behavior.

  17. SU-E-T-223: Investigation of the Accuracy of Two-Dimensional Dose Distributions Measurement From High-Dose-Rate Brachytherapy Ir-192 Source Using Multiple-Diode-Array Detector (MapCheck2)

    SciTech Connect (OSTI)

    Taguenang, J; De La Fuente, T Herman; Ahmad, S; Ali, I

    2014-06-01

    Purpose: To investigate the dosimetric accuracy of multiple-diode-array detector (Mapcheck2) for high-dose-rate brachytherapy Ir-192 source. The two-dimensional (2D) dose distributions measured with MapCheck2 were validated with EBT2 Gafchromic film measurement and AAPM task-group- 43 (TG-43) modeling. Methods: 2D-dose distributions from Ir-192 source were measured with MapCheck2 and EBT2-films. MapCheck2 response was corrected for effects: directional dependence, diode and phantom heterogeneity. Optical density growth of the film was controlled by synchronized scanning of the film exposed to Ir-192 and calibration films exposed to 6 MV linac beams. Similarly, MapCheck2 response was calibrated to dose using 6 MV beams. An empirical model was developed for the dose distributions measured with Mapcheck2 that considered directional, diode and phantom heterogeneity corrections. The dose deposited in solid-state-detectors was modeled using a cavity theory model for the diode. This model was then validated with measurements using EBT2-films and calculations with TG-43. Results: The response of MapCheck2 has been corrected for different effects including: (a) directional dependence of 0–20% over angular range 0o–90o, (b) phantom heterogeneity (3%) and (c) diode heterogeneity (9%). The corrected dose distributions measured with MapCheck2 agreed well with the measured dose distributions from EBT2-film and with calculations using TG-43 within 5% over a wide range of dose levels and rates. The advantages of MapCheck2 include less noisy, linear and stable response compared with film. The response of MapCheck2 exposed to 192Ir-source showed no energy dependence similar to its response to MV energy beam. Detection spatial-resolution of individual diodes was 0.8×0.8 mm2, however, 2DMapCheck2 resolution is limited by distance between diodes (7.07 mm). Conclusion: The dose distribution measured with MapCheck2 agreed well within 5% with that measured using EBT2-films; and

  18. As you prepare for your upcoming beam time, please be aware that construction is planned to update SLAC Gate 17 with RFID proximity card access hardware and to change the stairs next to the Security hut to an ADA compliant ramp. Please forward this to your proposal collaborators (and ensure that all users have registered and completed training before they arrive). This construction is scheduled to begin Tuesday 5/28 and be completed by 6/28. During this construction, access to the LCLS and SSRL buildings and experimental facilities will be provided as follows: VEHICLES ONLY THROUGH GATE 17 5/28-6/28 0600-1530 (6 am-3:30 pm) Construction Zone. Only VEHICLE traffic will be allowed access through Gate 17 and flagman will provide traffic control. 1530-1800 (3:30-6:00 pm) Assumes construction will have stopped for the day; both traffic lanes will be open for vehicles. 1800-0600 (6 pm-6 am) As now, Gate 17 will be closed or barricaded overnight. PEDESTRIANS ONLY THROUGH GATE 16 5/28-6/28 The pedestrian turnstile at Gate 16A will not change. The turnstile is available for pedestrian use 24/7 as long as the individual has a valid SLAC ID badge (and there is a guard at Gate 30 to 'buzz' them through). 0700-1600 (6 am-4 pm) Pedestrians who would normally walk through Gate 17 will instead follow the detour to Gate 16 swing gate which will be unlocked and staffed by Security. A valid SLAC ID badge is needed to enter; new users without IDs will be allowed to proceed for check-in and badging after confirmation with the User Research Administration Office (see detour map attached). FYI - After the construction is completed and proximity card readers are fully functional, users and staff will enter Gates 17 and 30 using an activated RFID proximity card. More details to follow.

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Building 137 Bldg. 270 CONSTRUCTION IMPACTS PEDESTRIAN AND VEHICLE ACCESS THROUGH SLAC SECURITY GATE 17 ~ May 28-June 28, 2013 The stairs next to the Gate 17 Guard House will be replaced with an ADA compliant ramp; the turnstile and fence at SLAC Gate 17 will be updated with RFID proximity card access hardware. During this construction, access beyond the fence, including the SSRL and LCLS buildings and user facilities will be provided as follows: VEHICLES ONLY THROUGH GATE 17 Security will

  19. STAR FORMATION RATES AND STELLAR MASSES OF z = 7-8 GALAXIES FROM IRAC OBSERVATIONS OF THE WFC3/IR EARLY RELEASE SCIENCE AND THE HUDF FIELDS

    SciTech Connect (OSTI)

    Labbe, I.; Gonzalez, V.; Bouwens, R. J.; Illingworth, G. D.; Magee, D.; Trenti, M.; Oesch, P. A.; Carollo, C. M.; Van Dokkum, P. G.; Stiavelli, M.; Kriek, M. E-mail: poesch@phys.ethz.c

    2010-06-20

    We investigate the Spitzer/IRAC properties of 36 z {approx} 7 z{sub 850}-dropout galaxies and three z {approx} 8 Y{sub 098} galaxies derived from deep/wide-area WFC3/IR data of the Early Release Science, the ultradeep HUDF09, and wide-area NICMOS data. We fit stellar population synthesis models to the spectral energy distributions to derive mean redshifts, stellar masses, and ages. The z {approx} 7 galaxies are best characterized by substantial ages (>100 Myr) and M/L{sub V} {approx} 0.2. The main trend with decreasing luminosity is that of bluing of the far-UV slope from {beta} {approx} -2.0 to {beta} {approx} -3.0. This can be explained by decreasing metallicity, except for the lowest luminosity galaxies (0.1L*{sub z{sub ={sub 3}}}), where low metallicity and smooth star formation histories (SFHs) fail to match the blue far-UV and moderately red H - [3.6] color. Such colors may require episodic SFHs with short periods of activity and quiescence ('on-off' cycles) and/or a contribution from emission lines. The stellar mass of our sample of z {approx} 7 star-forming galaxies correlates with star formation rate (SFR) according to log M* = 8.70({+-}0.09) + 1.06({+-}0.10)log SFR, implying that star formation may have commenced at z > 10. No galaxies are found with SFRs much higher or lower than the past averaged SFR suggesting that the typical star formation timescales are probably a substantial fraction of the Hubble time. We report the first IRAC detection of Y{sub 098}-dropout galaxies at z {approx} 8. The average rest-frame U - V {approx} 0.3 (AB) of the three galaxies are similar to faint z {approx} 7 galaxies, implying similar M/L. The stellar mass density to M{sub UV,AB} < -18 is {rho}*(z = 8) = 1.8{sup +0.7}{sub -1.0} x 10{sup 6} M{sub sun} Mpc{sup -3}, following log {rho}*(z) = 10.6({+-}0.6) - 4.4({+-}0.7) log(1 + z) [M{sub sun} Mpc{sup -3}] over 3 < z < 8.

  20. Conformers, infrared spectrum, UV-induced photochemistry, and near-IR-induced generation of two rare conformers of matrix-isolated phenylglycine

    SciTech Connect (OSTI)

    Borba, Ana Fausto, Rui; Gómez-Zavaglia, Andrea

    2014-10-21

    The conformational space of α-phenylglycine (PG) have been investigated theoretically at both the DFT/B3LYP/6-311++G(d,p) and MP2/6-311++G(d,p) levels of approximation. Seventeen different minima were found on the investigated potential energy surfaces, which are characterized by different dominant intramolecular interactions: type I conformers are stabilized by hydrogen bonds of the type N–H···O=C, type II by a strong O–H···N hydrogen bond, type III by weak N–H···O–H hydrogen bonds, and type IV by a C=O···H–C contact. The calculations indicate also that entropic effects are relevant in determining the equilibrium populations of the conformers of PG in the gas phase, in particular in the case of conformers of type II, where the strong intramolecular O–H···N hydrogen bond considerably diminishes entropy by reducing the conformational mobility of the molecule. In consonance with the relative energies of the conformers and barriers for conformational interconversion, only 3 conformers of PG were observed for the compound isolated in cryogenic Ar, Xe, and N{sub 2} matrices: the conformational ground state (ICa), and forms ICc and IITa. All other significantly populated conformers existing in the gas phase prior to deposition convert either to conformer ICa or to conformer ICc during matrix deposition. The experimental observation of ICc had never been achieved hitherto. Narrowband near-IR irradiation of the first overtone of νOH vibrational mode of ICa and ICc in nitrogen matrices (at 6910 and 6930 cm{sup −1}, respectively) led to selective generation of two additional conformers of high-energy, ITc and ITa, respectively, which were also observed experimentally for the first time. In addition, these experiments also provided the key information for the detailed vibrational characterization of the 3 conformers initially present in the matrices. On the other hand, UV irradiation (λ = 255 nm) of PG isolated in a xenon matrix revealed that

  1. Metal insulator transition and magnetotransport anomalies in perovskite SrIr{sub 0.5}Ru{sub 0.5}O{sub 3} thin films

    SciTech Connect (OSTI)

    Biswas, Abhijit; Lee, Yong Woo; Kim, Sang Woo; Jeong, Yoon Hee

    2015-03-21

    We investigated the nature of transport and magnetic properties in SrIr{sub 0.5}Ru{sub 0.5}O{sub 3} (SIRO), which has characteristics intermediate between a correlated non-Fermi liquid state and an itinerant Fermi liquid state, by growing perovskite thin films on various substrates (e.g., SrTiO{sub 3} (001), (LaAlO{sub 3}){sub 0.3}(Sr{sub 2}TaAlO{sub 6}){sub 0.7} (001), and LaAlO{sub 3} (001)). We observed systematic variation of underlying substrate dependent metal-to-insulator transition temperatures (T{sub MIT} ∼ 80 K on SrTiO{sub 3}, ∼90 K on (LaAlO{sub 3}){sub 0.3}(Sr{sub 2}TaAlO{sub 6}){sub 0.7}, and ∼100 K on LaAlO{sub 3}) in resistivity. At temperature 300 K ≥ T ≥ T{sub MIT}, SIRO is metallic and its resistivity follows a T{sup 3/2} power law, whereas insulating nature at T < T{sub MIT} is due to the localization effect. Magnetoresistance (MR) measurement of SIRO on SrTiO{sub 3} (001) shows negative MR at T < 25 K and positive MR at T > 25 K, with negative MR ∝ B{sup 1/2} and positive MR ∝ B{sup 2}; consistent with the localized-to-normal transport crossover dynamics. Furthermore, observed spin glass like behavior of SIRO on SrTiO{sub 3} (001) at T < 25 K in the localized regime validates the hypothesis that (Anderson) localization favors glassy ordering. These remarkable features provide a promising approach for future applications and of fundamental interest in oxide thin films.

  2. On the possibility of the generation of high harmonics with photon energies greater than 10 keV upon interaction of intense mid-IR radiation with neutral gases

    SciTech Connect (OSTI)

    Emelina, A S; Emelin, M Yu; Ryabikin, M Yu

    2014-05-30

    Based on the analytical quantum-mechanical description in the framework of the modified strong-field approximation, we have investigated high harmonic generation of mid-IR laser radiation in neutral gases taking into account the depletion of bound atomic levels of the working medium and the electron magnetic drift in a high-intensity laser field. The possibility is shown to generate high-order harmonics with photon energies greater than 10 keV under irradiation of helium atoms by intense femtosecond laser pulses with a centre wavelength of 8 – 10.6 μm. (interaction of radiation with matter)

  3. Decay of the 9/2{sup -} isomer in {sup 181}Tl and mass determination of low-lying states in {sup 181}Tl, {sup 177}Au, and {sup 173}Ir

    SciTech Connect (OSTI)

    Andreyev, A. N.; Antalic, S.; Saro, S.; Ackermann, D.; Comas, V. F.; Heinz, S.; Heredia, J. A.; Hessberger, F. P.; Khuyagbaatar, J.; Kojouharov, I.; Kindler, B.; Lommel, B.; Mann, R.; Cocolios, T. E.; Elseviers, J.; Huyse, M.; Van Duppen, P. Van; Venhart, M.; Franchoo, S.; Hofmann, S.

    2009-08-15

    A detailed spectroscopic study of the neutron-deficient isotope {sup 181}Tl and the daughter of its {alpha} decay, {sup 177}Au, has been performed in the complete fusion reaction {sup 40}Ca+{sup 144}Sm{yields}{sup 184}Pb* at the velocity filter SHIP (GSI). The mass excess, excitation energy, and decay scheme of the isomeric 1.40(3) ms, 9/2{sup -} intruder state in {sup 181}Tl have been established for the first time. These results solve a long-standing puzzle of the unrealistically large reduced {alpha}-decay width of this isomer. Based on this, the previously unknown masses of the long-lived isomeric states in {sup 177}Au and {sup 173}Ir have been derived. In turn, it now allows the excitation energies of previously identified bands in {sup 177}Au and {sup 173}Ir to be deduced and compared with theoretical predictions. First measurements of {alpha}-decay branching ratios for {sup 181}Tl{sup m} and {sup 177}Au{sup m,g} are also reported.

  4. Magnetic structure of the antiferromagnetic Kondo lattice compounds CeRhAl4Si2 and CeIrAl4Si2

    SciTech Connect (OSTI)

    Ghimire, N. J.; Calder, S.; Janoschek, M.; Bauer, E. D.

    2015-06-01

    In this article, we have investigated the magnetic ground state of the antiferromagnetic Kondo-lattice compounds CeMAl4Si2(M = Rh, Ir) using neutron powder diffraction. Although both of these compounds show two magnetic transitions TN1 and TN2 in the bulk properties measurements, evidence for magnetic long-range order was only found below the lower transition TN2. Analysis of the diffraction profiles reveals a commensurate antiferromagnetic structure with a propagation vector k = (0, 0, 1/2). The magnetic moment in the ordered state of CeRhAl4Si2 and CeIrAl4Si2 were determined to be 1.14(2) and 1.41(3) ?B/Ce, respectively, and are parallel to the crystallographic c-axis in agreement with magnetic susceptibility measurements.

  5. Magnetic structure of the antiferromagnetic Kondo lattice compounds CeRhAl4Si2 and CeIrAl4Si2

    SciTech Connect (OSTI)

    Ghimire, N. J.; Calder, S.; Janoschek, M.; Bauer, E. D.

    2015-06-01

    In this article, we have investigated the magnetic ground state of the antiferromagnetic Kondo-lattice compounds CeMAl4Si2(M = Rh, Ir) using neutron powder diffraction. Although both of these compounds show two magnetic transitions TN1 and TN2 in the bulk properties measurements, evidence for magnetic long-range order was only found below the lower transition TN2. Analysis of the diffraction profiles reveals a commensurate antiferromagnetic structure with a propagation vector k = (0, 0, 1/2). The magnetic moment in the ordered state of CeRhAl4Si2 and CeIrAl4Si2 were determined to be 1.14(2) and 1.41(3) μB/Ce, respectively, and are parallel to the crystallographic c-axis in agreement with magnetic susceptibility measurements.

  6. First-principles studies of structural stabilities and enthalpies of formation of refractory intermetallics: TM and TM3 (T = Ti, Zr, Hf; M = Ru, Rh, Pd, Os, Ir, Pt)

    SciTech Connect (OSTI)

    Xing, Weiwei; Chen, X.; Li, Dianzhong; Li, Y. Y.; Fu, Chong Long; Meschel, S.

    2012-01-01

    Using first-principles local density functional approach, we have calculated the ground-state structural phase stabilities and enthalpies of formation of thirty-six binary transition-metal refractory TM and TM3 compounds formed by Group IV elements T (T = Ti, Zr, Hf) and platinum group elements M (M = Ru, Rh, Pd, Os, Ir, Pt) . We compared our results with the available experimental data and found good agreement between theory and experiment in both the trends of structural stabilities and the magnitudes of formation enthalpies. Moreover, based on our calculated results, an empirical relationship between cohesive energies ( E) and melting temperatures (Tm) was derived as Tm = 0.0292 E/kB (where kB is the Boltzmann constant) for both TM and TM3 compounds.

  7. A NEARBY GAMMA-RAY BURST HOST PROTOTYPE FOR z {approx} 7 LYMAN-BREAK GALAXIES: SPITZER-IRS AND X-SHOOTER SPECTROSCOPY OF THE HOST GALAXY OF GRB 031203

    SciTech Connect (OSTI)

    Watson, D.; French, J.; Hjorth, J.; Malesani, D.; Fynbo, J. P. U.; Castro Ceron, J. M.; Christensen, L.; O'Halloran, B.; Michalowski, M.; Gordon, K. D.; Covino, S.

    2011-11-01

    Gamma-ray burst (GRB) host galaxies have been studied extensively in optical photometry and spectroscopy. Here we present the first mid-infrared spectrum of a GRB host, HG 031203. It is one of the nearest GRB hosts at z = 0.1055, allowing both low- and high-resolution spectroscopy with the Spitzer Infrared Spectrograph (IRS). Medium-resolution UV to K-band spectroscopy with the X-shooter spectrograph on the Very Large Telescope is also presented, along with Spitzer IRAC and MIPS photometry, as well as radio and submillimeter observations. These data allow us to construct a UV to radio spectral energy distribution with almost complete spectroscopic coverage from 0.3 to 35 {mu}m of a GRB host galaxy for the first time, potentially valuable as a template for future model comparisons. The IRS spectra show strong, high-ionization fine structure line emission indicative of a hard radiation field in the galaxy-in particular the [S IV]/[S III] and [Ne III]/[Ne II] ratios-suggestive of strong ongoing star formation and a very young stellar population. The absence of any polycyclic aromatic hydrocarbon emission supports these conclusions, as does the probable hot peak dust temperature, making HG 031203 similar to the prototypical blue compact dwarf galaxy (BCD), II Zw 40. The selection of HG 031203 via the presence of a GRB suggests that it might be a useful analog of very young star-forming galaxies in the early universe, and hints that local BCDs may be used as more reliable analogs of star formation in the early universe than typical local starbursts. We look at the current debate on the ages of the dominant stellar populations in z {approx} 7 and z {approx} 8 galaxies in this context. The nebular line emission is so strong in HG 031203 that at z {approx} 7, it can reproduce the spectral energy distributions of z-band dropout galaxies with elevated IRAC 3.6 and 4.5 {mu}m fluxes without the need to invoke a 4000 A break. Indeed, photometry of HG 031203 shows elevation of

  8. Microsoft Word - S05949_IR.doc

    Office of Legacy Management (LM)

    ... erosion. 2.1.4 Pond 4 Pond 4 is a lined solar evaporation pond that collects water ... store U.S. Department of Energy 2009 Annual Inspection-Monticello, Utah December 2009 Doc. ...

  9. IR-Improved DGLAP-CS Theory

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Ward, B. F. L.

    2008-01-01

    We show that it is possible to improve the infrared aspects of the standard treatment of the DGLAP-CS evolution theory to take into account a large class of higher-order corrections that significantly improve the precision of the theory for any given level of fixed-order calculation of its respective kernels. We illustrate the size of the effects we resum using the moments of the parton distributions.

  10. Microsoft Word - S08313_IR_Final

    Office of Legacy Management (LM)

    Annual Inspection of the DOE Monticello, Utah, Mill Tailings Site and Monticello Vicinity Properties November 2011 LMS/MNT/S08313 This page intentionally left blank LMS/MNT/S08313 2011 Annual Inspection of the DOE Monticello, Utah, Mill Tailings Site and Monticello Vicinity Properties November 2011 This page intentionally left blank U.S. Department of Energy 2011 Annual Inspection-Monticello, Utah November 2011 Doc. No. S08313 Page i Contents Executive Summary

  11. IRS SCAN-MAPPING OF THE WASP-WAIST NEBULA (IRAS 16253-2429). I. DERIVATION OF SHOCK CONDITIONS FROM H{sub 2} EMISSION AND DISCOVERY OF 11.3 {mu}m PAH ABSORPTION

    SciTech Connect (OSTI)

    Barsony, Mary; Wolf-Chase, Grace A.; Ciardi, David R.

    2010-09-01

    The outflow driven by the Class 0 protostar, IRAS 16253-2429, is associated with bipolar cavities visible in scattered mid-infrared light, which we refer to as the Wasp-Waist Nebula. InfraRed Spectometer (IRS) scan mapping with the Spitzer Space Telescope of a {approx}1' x 2' area centered on the protostar was carried out. The outflow is imaged in six pure rotational (0-0 S(2) through 0-0 S(7)) H{sub 2} lines, revealing a distinct, S-shaped morphology in all maps. A source map in the 11.3 {mu}m polycyclic aromatic hydrocarbon (PAH) feature is presented in which the protostellar envelope appears in absorption. This is the first detection of absorption in the 11.3 {mu}m PAH feature. Spatially resolved excitation analysis of positions in the blue- and redshifted outflow lobes, with extinction-corrections determined from archival Spitzer 8 {mu}m imaging, shows remarkably constant temperatures of {approx}1000 K in the shocked gas. The radiated luminosity in the observed H{sub 2} transitions is found to be 1.94 {+-} 0.05 x 10{sup -5} L{sub sun} in the redshifted lobe and 1.86 {+-} 0.04 x 10{sup -5} L{sub sun} in the blueshifted lobe. These values are comparable to the mechanical luminosity of the flow. By contrast, the mass of hot (T {approx} 1000 K) H{sub 2} gas is 7.95 {+-} 0.19 x 10{sup -7} M{sub sun} in the redshifted lobe and 5.78 {+-} 0.17 x 10{sup -7} M{sub sun} in the blueshifted lobe. This is just a tiny fraction, of order 10{sup -3}, of the gas in the cold (30 K), swept-up gas mass derived from millimeter CO observations. The H{sub 2} ortho/para ratio of 3:1 found at all mapped points in this flow suggests previous passages of shocks through the gas. Comparison of the H{sub 2} data with detailed shock models of Wilgenbus et al. shows the emitting gas is passing through Jump (J-type) shocks. Pre-shock densities of 10{sup 4} cm{sup -3{<=}} n {sub H{<=}} 10{sup 5} cm{sup -3} are inferred for the redshifted lobe and n {sub H{<=}} 10{sup 3} cm{sup -3} for the

  12. Strong enhancement of s -wave superconductivity near a quantum critical point of Ca3Ir4Sn13

    SciTech Connect (OSTI)

    Biswas, P. K.; Guguchia, Z.; Khasanov, R.; Chinotti, M.; Li, L.; Wang, Kefeng; Petrovic, C.; Morenzoni, E.

    2015-11-11

    We report microscopic studies by muon spin rotation/relaxation as a function of pressure of the Ca3Ir4Sn13 and Sr3Ir4Sn13 system displaying superconductivity and a structural phase transition associated with the formation of a charge density wave (CDW). Our findings show a strong enhancement of the superfluid density and a dramatic increase of the pairing strength above a pressure of ≈ 1.6 GPa giving direct evidence of the presence of a quantum critical point separating a superconducting phase coexisting with CDW from a pure superconducting phase. The superconducting order parameter in both phases has the same s-wave symmetry. In spite of the conventional phonon-mediated BCS character of the weakly correlated (Ca1-xSrx)3Ir4Sn13 system the dependence of the effective superfluid density on the critical temperature puts this compound in the “Uemura” plot close to unconventional superconductors. This system exemplifies that conventional BCS superconductors in the presence of competing orders or multi-band structure can also display characteristics of unconventional superconductors.

  13. Unstable spin-ice order in the stuffed metallic pyrochlore Pr2+xIr2-xO7-δ

    SciTech Connect (OSTI)

    MacLaughlin, D. E.; Bernal, O. O.; Shu, Lei; Ishikawa, Jun; Matsumoto, Yosuke; Wen, Jia -Jia; Mourigal, Martin P.; Stock, C.; Ehlers, Georg; Broholm, C. L.; Machida, Yo; Kimura, Kenta; Nakatsuji, Satoru; Shimura, Yasuyuki; Sakakibara, Toshiro

    2015-08-24

    Specific heat, elastic neutron scattering, and muon spin rotation experiments have been carried out on a well-characterized sample of “stuffed” (Pr-rich) Pr2+xIr2-xO7-δ. Elastic neutron scattering shows the onset of long-range spin-ice “2-in/2-out” magnetic order at 0.93 kelvin, with an ordered moment of 1.7(1) Bohr magnetons per Pr ion at low temperatures. Approximate lower bounds on the correlation length and correlation time in the ordered state are 170 angstroms and 0.7 nanosecond, respectively. Muon spin rotation experiments yield an upper bound 2.6(7) milliteslas on the local field B4floc at the muon site, which is nearly two orders of magnitude smaller than the expected dipolar field for long-range spin-ice ordering of 1.7-Bohr magneton moments (120–270 milliteslas, depending on the muon site). This shortfall is due in part to splitting of the non-Kramers crystal-field ground-state doublets of near-neighbor Pr3+ ions by the positive-muon-induced lattice distortion. For this to be the only effect, however, ~160 Pr moments out to a distance of ~14 angstroms must be suppressed. An alternative scenario—one consistent with the observed reduced nuclear hyperfine Schottky anomaly in the specific heat—invokes slow correlated Pr-moment fluctuations in the ordered state that average B4floc on the μSR time scale (~10-7 second), but are static on the time scale of the elastic neutron scattering experiments (~10-9 second). In this picture, the dynamic muon relaxation suggests a Pr3+ 4f correlation time of a few nanoseconds, which should be observable in a neutron spin echo experiment.

  14. HUBBLE SPACE TELESCOPE ACS IMAGING OF THE GOALS SAMPLE: QUANTITATIVE STRUCTURAL PROPERTIES OF NEARBY LUMINOUS INFRARED GALAXIES WITH L{sub IR} > 10{sup 11.4} L{sub Sun}

    SciTech Connect (OSTI)

    Kim, D.-C.; Evans, A. S.; Privon, G. C. E-mail: aevans@virginia.edu; and others

    2013-05-10

    A Hubble Space Telescope/Advanced Camera for Surveys study of the structural properties of 85 luminous and ultraluminous (L{sub IR} > 10{sup 11.4} L{sub Sun }) infrared galaxies (LIRGs and ULIRGs) in the Great Observatories All-sky LIRG Survey (GOALS) sample is presented. Two-dimensional GALFIT analysis has been performed on F814W ''I-band'' images to decompose each galaxy, as appropriate, into bulge, disk, central point-spread function (PSF) and stellar bar components. The fraction of bulge-less disk systems is observed to be higher in LIRGs (35%) than in ULIRGs (20%), with the disk+bulge systems making up the dominant fraction of both LIRGs (55%) and ULIRGs (45%). Further, bulge+disk systems are the dominant late-stage merger galaxy type and are the dominant type for LIRGs and ULIRGs at almost every stage of galaxy-galaxy nuclear separation. The mean I-band host absolute magnitude of the GOALS galaxies is -22.64 {+-} 0.62 mag (1.8{sup +1.4}{sub -0.4} L{sup *}{sub I}), and the mean bulge absolute magnitude in GOALS galaxies is about 1.1 mag fainter than the mean host magnitude. Almost all ULIRGs have bulge magnitudes at the high end (-20.6 to -23.5 mag) of the GOALS bulge magnitude range. Mass ratios in the GOALS binary systems are consistent with most of the galaxies being the result of major mergers, and an examination of the residual-to-host intensity ratios in GOALS binary systems suggests that smaller companions suffer more tidal distortion than the larger companions. We find approximately twice as many bars in GOALS disk+bulge systems (32.8%) than in pure-disk mergers (15.9%) but most of the disk+bulge systems that contain bars are disk-dominated with small bulges. The bar-to-host intensity ratio, bar half-light radius, and bar ellipticity in GOALS galaxies are similar to those found in nearby spiral galaxies. The fraction of stellar bars decreases toward later merger stages and smaller nuclear separations, indicating that bars are destroyed as the merger

  15. Eu3Ir2In15: A mixed-valent and vacancy-filled variant of the Sc5Co4Si10 structure type with anomalous magnetic properties

    SciTech Connect (OSTI)

    Sarkar, Sumanta; Jana, Rajkumar; Siva, Ramesh; Banerjee, Swastika; Pati, Swapan K.; Balasubramanian, Mahalingam; Peter, Sebastian C.

    2015-10-27

    Here, a new compound, Eu3Ir2In15 has been synthesized using indium as an active metal flux. The compound crystallizes in tetragonal P4/mbm space group with lattice parameters, a = 14.8580(4) Å, b = 14.8580(4) Å, c = 4.3901(2) Å. It was further characterized by SEM-EDX studies. The temperature dependent magnetic susceptibility suggests that Eu in this compound is exclusively in divalent state. The effective magnetic moment (μeff) of this compound is 7.35 μB/Eu ion with paramagnetic Curie temperature (θp) of -28 K suggesting antiferromagnetic interaction. The mixed valent nature of Eu observed in magnetic measurements was confirmed by XANES measurements. The compound undergoes demagnetization at a low magnetic field (10 Oe), which is quite unusual for Eu based intermetallic compounds. Temperature dependent resistivity studies reveal that the compound is metallic in nature. A comparative study was made between Eu3Ir2In15 and hypothetical vacancy variant Eu5Ir4In10 which also crystallizes in the same crystal structure However our computational studies along with control experiments suggest that the latter is thermodynamically less feasible compared to the former and hence we proposed that it is highly unlikely that a RE5T4X10 would exist with X as a group 13 elements.

  16. Materials Data on IrS3Cl11 (SG:14) by Materials Project

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Kristin Persson

    2014-11-02

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  17. Materials Data on IrS2 (SG:62) by Materials Project

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Kristin Persson

    2014-11-02

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  18. IR&D spells success for Battelle scientists

    SciTech Connect (OSTI)

    Marr, C Thomas Jr; Dron, Jonni R.

    2006-04-18

    An overview of the Independent Research and Development program, including the benefits for both Battelle scientists and our industry partners.

  19. Microsoft Word - IR-mnt Apr 2009.doc

    Office of Legacy Management (LM)

    Site//Monticello Vicinity Properties Information Repository Subject Index, April 2009 File Index: MNT 010.02 Page 1 of 45 Information Repository for the U.S. Department of Energy Monticello Mill Tailings Site/Monticello Vicinity Properties Monticello, Utah Subject Index Note: This Information Repository contains Monticello Mill Tailings Site (MMTS) Operable Units I, II and III and Monticello Vicinity Properties (MVP) documents generated after signatory acceptance of the MMTS OU I & II, MVP,

  20. Molecular Design of Near-IR Harvesting Unsymmetrical Squaraine Dyes

    SciTech Connect (OSTI)

    Kim, Sanghoon; Mor, Gopal K.; Paulose, Maggie; Varghese, Oomman K.; Baik, Chul; Grimes, Craig A.

    2010-08-17

    The functionalized unsymmetrical benzothiazole squaraine organic sensitizers 5-carboxy-2-({3-[(3-hexylbenzothiazol-2(3H)-ylidene)methyl]-2-hydroxy-4-oxo-2-cyclobuten-1-ylidene}methyl)-1-hexyl-3,3-dimethyl-3H-indolium (hereafter named as SK-11) and 5-carboxy-2-({3-[(3-hexyl-5-methoxybenzothiazol-2(3H)-ylidene)methyl]-2-hydroxy-4-oxo-2-cyclobuten-1-ylidene}methyl)-1-hexyl-3,3-dimethyl-3H-indolium (coded as SK-12) are designed and developed to observe an intense and wider absorption band in the red/NIR wavelength region. DFT/TDDFT calculations have been performed on the two unsymmetrical squaraine sensitizers to gain insight into their electronic and optical properties. The utility of these dyes in solid state dye sensitized solar cells (SS-DSSCs) is demonstrated.

  1. Compressibility of Ir-Os alloys under high pressure (Journal...

    Office of Scientific and Technical Information (OSTI)

    Country of Publication: United States Language: ENGLISH Subject: high-pressure; alloys; iridium; osmium Word Cloud More Like This Full Text Journal Articles DOI: 10.1016...

  2. Materials Data on Ir (SG:225) by Materials Project

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Kristin Persson

    2014-11-02

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  3. On-Line Weld NDE with IR Thermography

    Office of Energy Efficiency and Renewable Energy (EERE)

    2013 DOE Hydrogen and Fuel Cells Program and Vehicle Technologies Program Annual Merit Review and Peer Evaluation Meeting

  4. Online Weld Quality NDE & Control with IR Thermography

    Broader source: Energy.gov [DOE]

    2010 DOE Vehicle Technologies and Hydrogen Programs Annual Merit Review and Peer Evaluation Meeting, June 7-11, 2010 -- Washington D.C.

  5. Energy Efficient Clothes Dryer with IR Heating and Electrostatic...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    with an energy factor greater than 4.04.
    Photo credit: GE Global Research This project seeks to demonstrate a ventless residential dryer with an energy factor greater than ...

  6. Optical modeling of the Jefferson Lab IR Demo FEL

    SciTech Connect (OSTI)

    G. Neil; S. Benson; Michelle D. Shinn; P. Davidson; P. Kloppel

    1997-01-01

    The Thomas Jefferson National Accelerator Facility (formerly known as CEBAF) has embarked on the construction of a 1 kW free-electron laser operating initially at 3 microns that is designed for laser-material interaction experiments and to explore the feasibility of scaling the system in power and wavelength for industrial and Navy defense applications. The superconducting radio-frequency linac, and single-pass transport which accelerates the beam from injector to wiggler, followed by energy-recovery deceleration to a dump. The electron and optical beam time structure in the design consists of a train of pecosecond pulses at a 37.425 MHz pulse repetition rate. The initial optical configuration is a conventional near-concentric resonator with transmissive outcoupling. Future upgrades of the system will increase the power and shorten the operating wavelength, and utilize a more advanced resonator system capable of scaling to high powers. The optical system of the laser has been mode led using the GLAD code by using a Beer's-law region to mimic the FEL interaction. Effects such as mirror heating have been calculated and compared with analytical treatments. The magnitude of the distorium for several materials and wavelengths has been estimated. The advantages as well as the limitations of this approach are discussed.

  7. Microsoft Word - IR-03-02-11.doc

    Office of Legacy Management (LM)

    Grand Junction, Colorado, Site March 2011 Page 1 2011 Annual Inspection Report for the Grand Junction, Colorado, Site Summary The Grand Junction, Colorado, Site, inspected on February 15, 2011, was in excellent condition. Physical and institutional controls enacted at the site continue to be effective in preventing exposure to contamination remaining on the property. No cause for a follow-up inspection was identified. 1.0 Introduction This report presents the results of the annual U.S.

  8. Solar Energy Windows and Smart IR Switchable Building Technologies

    SciTech Connect (OSTI)

    McCarny, James; Kornish, Brian

    2011-09-30

    The three building envelope functions with the largest impact on the energy usage are illumination, energy flux and energy production. In general, these three functions are addressed separately in the building design. A step change toward a zero-energy building can be achieved with a glazing system that combines these three functions and their control into a single unit. In particular, significant value could be realized if illumination into the building is dynamically controlled such that it occurs during periods of low load on the grid (e.g., morning) to augment illumination supplied by interior lights and then to have that same light diverted to PV energy production and the thermal energy rejected during periods of high load on the grid. The objective of this project is to investigate the feasibility of a glazing unit design that integrates these three key functions (illumination and energy flux control, and power production) into a single module.

  9. IR-based Spot Weld NDT in Automotive Applications (Conference...

    Office of Scientific and Technical Information (OSTI)

    APA Chicago Bibtex Export Metadata Endnote Excel CSV XML Save to My Library Send to Email Send to Email Email address: Content: Close Send Cite: MLA Format Close Cite: APA ...

  10. Ir L (I.~ DEPARTMENT OF ENERGY ALBUQUERQUE OPERATIONS OFFICE

    Office of Legacy Management (LM)

    ... and the re- search work his company had performed. ... State of Pennsylvania to enter upon the property at a ... agreement setting forth terms, conditions, and plans for ...

  11. Graphene-silicon layered structures on single-crystalline Ir...

    Office of Scientific and Technical Information (OSTI)

    GrantContract Number: SC00112704 Type: Accepted Manuscript Journal Name: Advanced Materials Interfaces Additional Journal Information: Journal Volume: 2; Journal Issue: 3; Journal ...

  12. Uncooled thin film pyroelectric IR detector with aerogel thermal isolation

    DOE Patents [OSTI]

    Ruffner, Judith A.; Bullington, Jeff A.; Clem, Paul G.; Warren, William L.; Brinker, C. Jeffrey; Tuttle, Bruce A.; Schwartz, Robert W.

    1999-01-01

    A monolithic infrared detector structure which allows integration of pyroelectric thin films atop low thermal conductivity aerogel thin films. The structure comprises, from bottom to top, a substrate, an aerogel insulating layer, a lower electrode, a pyroelectric layer, and an upper electrode layer capped by a blacking layer. The aerogel can offer thermal conductivity less than that of air, while providing a much stronger monolithic alternative to cantilevered or suspended air-gap structures for pyroelectric thin film pixel arrays. Pb(Zr.sub.0.4 Ti.sub.0.6)O.sub.3 thin films deposited on these structures displayed viable pyroelectric properties, while processed at 550.degree. C.

  13. Measuring Broadband IR Irradiance in the Direct Solar Beam (Poster...

    Office of Scientific and Technical Information (OSTI)

    and infrared bands below and above 0.2 micrometers and 50 micrometers, respectively. ... the direct solar beam from 3 micrometers to 50 micrometers, as first step that might be ...

  14. Measuring Broadband IR Irradiance in the Direct Solar Beam (Presentati...

    Office of Scientific and Technical Information (OSTI)

    beyond the ultraviolet and infrared bands below and above 0.2 um and 50 um, respectively. ... in the direct solar beam from 3 um to 50 um, as a first step that might be used to ...

  15. Building Characterization Sampling Plan. IR-1300-1301-1.01.

    Office of Legacy Management (LM)

  16. Buildings Radiological Characterization Report. IR-1300-1302-1.03.

    Office of Legacy Management (LM)

  17. Dismantling of Building 409. IR-800-803-1.01.

    Office of Legacy Management (LM)

  18. Interim Response Actions (IRA's). IR-700-703-1.01.

    Office of Legacy Management (LM)

  19. Interim Response Actions (IRS's). I-900-901-1.01.

    Office of Legacy Management (LM)

  20. Microsoft Word - IR-MNT Feb 2014.docx

    Office of Legacy Management (LM)

    ... National Oil and Hazardous Substances Pollution Contingency Plan, Final Rule. 40 CFR ... in place Letter, March 3, 2000. Subject: Air monitoring data 2. Repository Alternatives ...

  1. Advance Patent Waiver W(A)2011-048

    Broader source: Energy.gov [DOE]

    This is a request by ADA-ES for a DOE waiver of domestic and foreign patent rights under agreement DE-FE0004343.

  2. I

    Office of Legacy Management (LM)

    Closure Report for Corrective Action Unit 417: Central Nevada Test Area Surface, Nevada ... ACTION UNIT 417: CENTRAL NEV ADA TEST AREA - SURF ACE, NEV ADA, NOVEMBER 2001 ...

  3. ADMINISTRATIVE CHANGE TO DOE O 484.1, REIMBURSABLE WORK FOR THE DEPARTMENT OF HOMELAND

    Office of Environmental Management (EM)

    ADA Requirements for Workplace Charging Installation ADA Requirements for Workplace Charging Installation The Americans with Disabilities Act (ADA) is a federal civil rights law that prohibits discrimination in public places against individuals with disabilities. This Guidance provides best practices, special design guidelines and requirements for installing plug-in electric vehicle charging stations in compliance with ADA. When designing ADA-compliant PEV charging stations, consider

  4. Materials Data on Sn2Ir (SG:225) by Materials Project

    SciTech Connect (OSTI)

    Kristin Persson

    2014-11-02

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  5. Vehicle Technologies Office Merit Review 2014: On-Line Weld NDE with IR Thermography

    Broader source: Energy.gov [DOE]

    Presentation given by Oak Ridge National Laboratory at 2014 DOE Hydrogen and Fuel Cells Program and Vehicle Technologies Office Annual Merit Review and Peer Evaluation Meeting about on-line weld...

  6. Heralding efficiency and correlated-mode coupling of near-IR fiber-coupled photon pairs

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Dixon, P. Ben; Rosenberg, Danna; Stelmakh, Veronika; Grein, Matthew E.; Bennink, Ryan S.; Dauler, Eric A.; Kerman, Andrew J.; Molnar, Richard J.; Wong, Franco N. C.

    2014-10-06

    We report on a systematic experimental study of heralding efficiency and generation rate of telecom-band infrared photon pairs generated by spontaneous parametric down-conversion and coupled to single mode optical fibers. We define the correlated-mode coupling efficiency--an inherent source efficiency--and explain its relation to heralding efficiency. For our experiment, we developed a reconfigurable computer controlled pump-beam and collection-mode optical apparatus which we used to measure the generation rate and correlated-mode coupling efficiency. The use of low-noise, high-efficiency superconducting-nanowire single-photon-detectors in this setup allowed us to explore focus configurations with low overall photon flux. The measured data agree well with theory andmore » we demonstrated a correlated-mode coupling efficiency of 97%±2%, which is the highest efficiency yet achieved for this type of system. These results confirm theoretical treatments and demonstrate that very high overall heralding efficiencies can, in principle, be achieved in quantum optical systems. We expect that these results and techniques will be widely incorporated into future systems that require, or benefit from, a high heralding efficiency.« less

  7. Heralding efficiency and correlated-mode coupling of near-IR fiber-coupled photon pairs

    SciTech Connect (OSTI)

    Dixon, P. Ben; Rosenberg, Danna; Stelmakh, Veronika; Grein, Matthew E.; Bennink, Ryan S.; Dauler, Eric A.; Kerman, Andrew J.; Molnar, Richard J.; Wong, Franco N. C.

    2014-10-06

    We report on a systematic experimental study of heralding efficiency and generation rate of telecom-band infrared photon pairs generated by spontaneous parametric down-conversion and coupled to single mode optical fibers. We define the correlated-mode coupling efficiency--an inherent source efficiency--and explain its relation to heralding efficiency. For our experiment, we developed a reconfigurable computer controlled pump-beam and collection-mode optical apparatus which we used to measure the generation rate and correlated-mode coupling efficiency. The use of low-noise, high-efficiency superconducting-nanowire single-photon-detectors in this setup allowed us to explore focus configurations with low overall photon flux. The measured data agree well with theory and we demonstrated a correlated-mode coupling efficiency of 97%±2%, which is the highest efficiency yet achieved for this type of system. These results confirm theoretical treatments and demonstrate that very high overall heralding efficiencies can, in principle, be achieved in quantum optical systems. We expect that these results and techniques will be widely incorporated into future systems that require, or benefit from, a high heralding efficiency.

  8. IR-584-11-83-1 RADIOLOGICAL STUDY OF MAYWOOD CHEMICAL, MAYWOOD...

    Office of Legacy Management (LM)

    ... Criteria for remedial action are based on proposed Federal Regulation 40 CFR Part 192,(1) ... Criteria for remedial action are based on proposed Federal Regulation 40 CFR Part 192. ...

  9. IRS (Internal Revenue Service) claim against oil firms heads for a court showdown

    SciTech Connect (OSTI)

    Not Available

    1990-09-24

    During the gasoline crisis of the late Seventies, Saudi Arabia pumped oil to four U.S. oil companies at a price mutually agreed on. But the Internal Revenue Service says the companies sold the oil at a higher rate, raking in profits that they must pay taxes on. Exxon and Texaco dispute the ruling, while the other companies are being audited. The Tax Court is scheduled to try the case April of 1991.

  10. Letter: RCRA Compliance for Containerized Chemicals. IR-500-505-1.02.

    Office of Legacy Management (LM)

  11. Modifications to Building 409 Dismantling. IR-800-805-1.01

    Office of Legacy Management (LM)

  12. Proposals For Four Interim Response Actions. IR-600-604-1.01.

    Office of Legacy Management (LM)

  13. Proposed Management of 15 Nonprocess Buildings at the Chemical Plant. IR-1000-1003-1.01.

    Office of Legacy Management (LM)

  14. Proposed Management of Contaminated Water in the Weldon Spring Quarry. IR-1500-1503-1.01.

    Office of Legacy Management (LM)

  15. Public Forum: Weldon Spring Site Public Forum. IR-1600-1604-1.01.

    Office of Legacy Management (LM)

  16. Responsiveness Summary to EPA Comments on Debris Consolidation. IR-700-704-1.01

    Office of Legacy Management (LM)

  17. U.S. EPA Comments on Interim Response Actions (IRAs). IR-300-304-1.02.

    Office of Legacy Management (LM)

  18. U.S. EPA Comments on Interim Response Actions (IRAs). IR-300-304-1.02.

    Office of Legacy Management (LM)

  19. Reducing Blood-borne Exposure in Interventional Radiology: What the IR Should Know

    SciTech Connect (OSTI)

    Tso, David K.; Athreya, Sriharsha

    2013-08-01

    Interventional radiologists are at risk of exposure to blood-borne pathogens in their day-to-day practice. Percutaneous exposure from unsafe sharps handling, mucocutaneous exposure from body fluid splashes, and glove perforation from excessive wear can expose the radiologist to potentially infectious material. The increasing prevalence of blood-borne pathogens, including hepatitis B and C, and human immunodeficiency virus, puts nurses, residents, fellows, and interventional radiologists at risk for occupational exposure. This review outlines suggestions to establish a culture of safety in the interventional suite.

  20. Materials Data on Ca4IrO6 (SG:167) by Materials Project

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Kristin Persson

    2015-02-09

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  1. Materials Data on Sr2IrO4 (SG:139) by Materials Project

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Kristin Persson

    2014-11-02

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  2. Materials Data on IrBr3 (SG:12) by Materials Project

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Kristin Persson

    2014-11-02

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  3. Materials Data on Sr2ScIrO6 (SG:12) by Materials Project

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Kristin Persson

    2015-03-08

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  4. Materials Data on Ir3W (SG:194) by Materials Project

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Kristin Persson

    2015-03-09

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  5. Materials Data on LiNd2IrO6 (SG:14) by Materials Project

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Kristin Persson

    2015-02-09

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  6. Materials Data on Li2GaIr (SG:216) by Materials Project

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Kristin Persson

    2015-02-18

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  7. Materials Data on PrB2Ir3 (SG:191) by Materials Project

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Kristin Persson

    2015-02-09

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  8. Materials Data on La(SiIr)2 (SG:129) by Materials Project

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Kristin Persson

    2015-02-09

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  9. Materials Data on Mg29Ir4 (SG:216) by Materials Project

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Kristin Persson

    2015-02-18

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  10. Materials Data on LiSm2IrO6 (SG:14) by Materials Project

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Kristin Persson

    2015-02-09

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  11. Materials Data on IrW (SG:51) by Materials Project

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Kristin Persson

    2015-03-09

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  12. Materials Data on NaLa2IrO6 (SG:14) by Materials Project

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Kristin Persson

    2015-02-09

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  13. Materials Data on Zr3Ir (SG:121) by Materials Project

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Kristin Persson

    2015-03-10

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  14. Materials Data on Y(SiIr)2 (SG:129) by Materials Project

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Kristin Persson

    2015-02-09

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  15. Materials Data on NaPr2IrO6 (SG:14) by Materials Project

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Kristin Persson

    2015-02-09

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  16. Materials Data on Ga9Ir2 (SG:7) by Materials Project

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Kristin Persson

    2015-02-09

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  17. Materials Data on ScIr2 (SG:227) by Materials Project

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Kristin Persson

    2015-02-09

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  18. Materials Data on LiLa2IrO6 (SG:14) by Materials Project

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Kristin Persson

    2015-02-09

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  19. Materials Data on ErIr (SG:221) by Materials Project

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Kristin Persson

    2015-03-09

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  20. Materials Data on Ge4Ir (SG:152) by Materials Project

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Kristin Persson

    2014-11-02

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  1. Materials Data on CaSn2Ir (SG:63) by Materials Project

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Kristin Persson

    2015-02-09

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  2. Materials Data on TaIr3 (SG:221) by Materials Project

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Kristin Persson

    2015-03-09

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  3. Materials Data on Sn4Ir (SG:142) by Materials Project

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Kristin Persson

    2015-02-09

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  4. Materials Data on IrCl3 (SG:12) by Materials Project

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Kristin Persson

    2014-11-02

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  5. Materials Data on LaSiIr (SG:198) by Materials Project

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Kristin Persson

    2015-01-27

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  6. Materials Data on Te8Ir3 (SG:2) by Materials Project

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Kristin Persson

    2014-11-02

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  7. Materials Data on LiIr3 (SG:44) by Materials Project

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Kristin Persson

    2015-03-09

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  8. Materials Data on Ce2B2Ir5 (SG:166) by Materials Project

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Kristin Persson

    2015-02-09

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  9. Materials Data on YB2Ir3 (SG:191) by Materials Project

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Kristin Persson

    2015-03-19

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  10. Materials Data on Mn3GeIr (SG:198) by Materials Project

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Kristin Persson

    2015-01-21

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  11. Materials Data on EuSn2Ir (SG:63) by Materials Project

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Kristin Persson

    2014-11-02

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  12. Materials Data on U12Ir4Se31 (SG:139) by Materials Project

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Kristin Persson

    2014-11-02

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  13. Materials Data on PuIr2 (SG:227) by Materials Project

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Kristin Persson

    2015-03-09

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  14. Materials Data on ThB2Ir3 (SG:191) by Materials Project

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Kristin Persson

    2014-11-02

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  15. Materials Data on ThIr2 (SG:227) by Materials Project

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Kristin Persson

    2015-01-21

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  16. Materials Data on Ba2LuIrO6 (SG:225) by Materials Project

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Kristin Persson

    2014-11-02

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  17. Materials Data on Eu2LiIrO6 (SG:14) by Materials Project

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Kristin Persson

    2015-02-09

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  18. Materials Data on NbIrS4 (SG:12) by Materials Project

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Kristin Persson

    2015-05-16

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  19. Materials Data on Al9Ir2 (SG:14) by Materials Project

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Kristin Persson

    2015-02-09

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  20. Materials Data on Zr5Ir3 (SG:178) by Materials Project

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Kristin Persson

    2015-03-10

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  1. Materials Data on CeIr5 (SG:191) by Materials Project

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Kristin Persson

    2014-11-02

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  2. Materials Data on LiIn2Ir (SG:225) by Materials Project

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Kristin Persson

    2015-03-22

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  3. Materials Data on SrIr2 (SG:227) by Materials Project

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Kristin Persson

    2015-03-09

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  4. Materials Data on Dy(SiIr)2 (SG:139) by Materials Project

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Kristin Persson

    2014-11-02

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  5. Materials Data on PaIr3 (SG:221) by Materials Project

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Kristin Persson

    2015-03-09

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  6. Materials Data on Ba2ScIrO6 (SG:225) by Materials Project

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Kristin Persson

    2015-03-08

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  7. Materials Data on ThIr5 (SG:191) by Materials Project

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Kristin Persson

    2014-11-02

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  8. Materials Data on Ca2MnIrO6 (SG:14) by Materials Project

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Kristin Persson

    2015-05-16

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  9. Materials Data on CeB2Ir3 (SG:191) by Materials Project

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Kristin Persson

    2014-11-02

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  10. Materials Data on Zn11Ir2 (SG:217) by Materials Project

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Kristin Persson

    2015-03-10

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  11. Materials Data on SbIr (SG:194) by Materials Project

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Kristin Persson

    2015-02-09

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  12. Materials Data on TmIr2 (SG:227) by Materials Project

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Kristin Persson

    2015-02-09

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  13. Materials Data on TbGeIr (SG:62) by Materials Project

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Kristin Persson

    2015-02-09

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  14. Materials Data on UB2Ir3 (SG:191) by Materials Project

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Kristin Persson

    2014-11-02

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  15. Materials Data on LiPr2IrO6 (SG:14) by Materials Project

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Kristin Persson

    2015-02-09

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  16. Materials Data on Ca4As7Ir8 (SG:11) by Materials Project

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Kristin Persson

    2015-03-22

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  17. Materials Data on Ca4P7Ir8 (SG:11) by Materials Project

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Kristin Persson

    2015-03-24

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  18. Materials Data on BaIrO3 (SG:15) by Materials Project

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Kristin Persson

    2015-01-21

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  19. Materials Data on Mg3Ir (SG:194) by Materials Project

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Kristin Persson

    2015-03-09

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  20. Materials Data on MgIr2 (SG:194) by Materials Project

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Kristin Persson

    2015-02-09

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  1. Materials Data on Mn3IrN (SG:221) by Materials Project

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Kristin Persson

    2014-11-02

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  2. Materials Data on IrO2 (SG:136) by Materials Project

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Kristin Persson

    2015-02-09

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  3. Materials Data on TbIr2 (SG:227) by Materials Project

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Kristin Persson

    2015-05-16

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  4. Materials Data on CeIr3 (SG:166) by Materials Project

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Kristin Persson

    2014-11-02

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  5. Materials Data on LiAl2Ir (SG:225) by Materials Project

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Kristin Persson

    2015-03-10

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  6. Materials Data on ZrIr (SG:221) by Materials Project

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Kristin Persson

    2014-11-02

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  7. Materials Data on BaIn2Ir (SG:63) by Materials Project

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Kristin Persson

    2015-02-09

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  8. Materials Data on Nd5Ir3 (SG:130) by Materials Project

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Kristin Persson

    2015-02-09

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  9. Materials Data on Er(SiIr)2 (SG:139) by Materials Project

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Kristin Persson

    2014-11-02

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  10. Materials Data on Sr2IrO4 (SG:142) by Materials Project

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Kristin Persson

    2015-02-09

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  11. Materials Data on Li2InIr (SG:216) by Materials Project

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Kristin Persson

    2015-02-18

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  12. Materials Data on NaNd2IrO6 (SG:14) by Materials Project

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Kristin Persson

    2015-02-09

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  13. Materials Data on Ir(Cl2F3)2 (SG:14) by Materials Project

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Kristin Persson

    2015-02-09

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  14. Materials Data on Ga2Ir (SG:63) by Materials Project

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Kristin Persson

    2014-11-02

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  15. Materials Data on Sr2LuIrO6 (SG:14) by Materials Project

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Kristin Persson

    2015-02-09

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  16. Materials Data on IrN2 (SG:14) by Materials Project

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Kristin Persson

    2015-02-09

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  17. Materials Data on La(SiIr)2 (SG:139) by Materials Project

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Kristin Persson

    2014-11-02

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  18. Materials Data on Nd2Ge2Ir (SG:12) by Materials Project

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Kristin Persson

    2014-11-02

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  19. Materials Data on Y(SiIr)2 (SG:139) by Materials Project

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Kristin Persson

    2014-11-02

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  20. Materials Data on DyInIr (SG:189) by Materials Project

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Kristin Persson

    2014-11-02

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  1. Materials Data on LiIr (SG:187) by Materials Project

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Kristin Persson

    2014-11-02

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  2. Materials Data on Ce(SiIr)2 (SG:139) by Materials Project

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Kristin Persson

    2015-02-09

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  3. Materials Data on LaB2Ir3 (SG:191) by Materials Project

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Kristin Persson

    2015-02-09

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  4. Materials Data on MnIr (SG:123) by Materials Project

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Kristin Persson

    2014-11-02

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  5. Materials Data on U(SiIr)2 (SG:129) by Materials Project

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Kristin Persson

    2015-02-09

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  6. Materials Data on Pu5Ir3 (SG:140) by Materials Project

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Kristin Persson

    2015-02-09

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  7. Materials Data on Ca3Ga3Ir2 (SG:62) by Materials Project

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Kristin Persson

    2015-02-09

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  8. Materials Data on LiIrF6 (SG:148) by Materials Project

    SciTech Connect (OSTI)

    Kristin Persson

    2015-02-09

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  9. Materials Data on Gd(SiIr)2 (SG:139) by Materials Project

    SciTech Connect (OSTI)

    Kristin Persson

    2014-07-09

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  10. Materials Data on BaIrF6 (SG:148) by Materials Project

    SciTech Connect (OSTI)

    Kristin Persson

    2014-11-02

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  11. Nb3Sn quadrupoles in the LHC IR Phase I upgrade

    SciTech Connect (OSTI)

    Zlobin, A.V.; Johnstone, J.A.; Kashikhin, V.V.; Mokhov, N.V.; Rakhno, I.L.; de Maria, R.; Peggs, S.; Robert-Demolaize, G.; Wanderer, P.; /Brookhaven

    2008-06-01

    After a number of years of operation at nominal parameters, the LHC will be upgraded to a higher luminosity. This paper discusses the possibility of using a limited number of Nb{sub 3}Sn quadrupoles for hybrid optics layouts for the LHC Phase I luminosity upgrades with both NbTi and Nb{sub 3}Sn quadrupoles. Magnet parameters and issues related to using Nb{sub 3}Sn quadrupoles including aperture, gradient, magnetic length, field quality, operation margin, et cetera are discussed.

  12. Nb3Sn Quadrupoles in the LHC IR Phase I Upgrade

    SciTech Connect (OSTI)

    Zlobin,A.; Johnstone, J.; Kashikhin, V.; Mokhov, N.; Rakhno, I.; deMaria, R.; Peggs, S.; Robert-Demolaize, F.; Wanderer, P.

    2008-06-23

    After a number of years of operation at nominal parameters, the LHC will be upgraded for higher luminosity. This paper discusses the possibility of using a limited number of Nb{sub 3}Sn quadrupoles for hybrid optics layouts for the LHC Phase I luminosity upgrades with both NbTi and Nb{sub 3}Sn quadrupoles. Magnet parameters and issues related to using Nb{sub 3}Sn quadrupoles including aperture, gradient, magnetic length, field quality, operation margin, et cetera are discussed.

  13. To: John R. Novak Radiation Safety - IRS From: G. T. Lonergan...

    Office of Legacy Management (LM)

    ... In addition to the floor area and fixtures in the shop where the extrusion was accomplished, the offices, rest rooms, and clothes change areas were surveyed and no contamination ...

  14. Materials Data on HfIr3 (SG:221) by Materials Project

    SciTech Connect (OSTI)

    Kristin Persson

    2014-11-02

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  15. Materials Data on ZrIr3 (SG:221) by Materials Project

    SciTech Connect (OSTI)

    Kristin Persson

    2014-11-02

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  16. Materials Data on Ba5AlIr2O11 (SG:62) by Materials Project

    SciTech Connect (OSTI)

    Kristin Persson

    2015-02-19

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  17. Materials Data on Ba2LaIrO6 (SG:12) by Materials Project

    SciTech Connect (OSTI)

    Kristin Persson

    2015-03-08

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  18. Materials Data on Ba4Ir3O10 (SG:64) by Materials Project

    SciTech Connect (OSTI)

    Kristin Persson

    2015-03-08

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  19. Combined raman and IR fiber-based sensor for gas detection

    DOE Patents [OSTI]

    Carter, Jerry C; Chan, James W; Trebes, James E; Angel, Stanley M; Mizaikoff, Boris

    2014-06-24

    A double-pass fiber-optic based spectroscopic gas sensor delivers Raman excitation light and infrared light to a hollow structure, such as a hollow fiber waveguide, that contains a gas sample of interest. A retro-reflector is placed at the end of this hollow structure to send the light back through the waveguide where the light is detected at the same end as the light source. This double pass retro reflector design increases the interaction path length of the light and the gas sample, and also reduces the form factor of the hollow structure.

  20. Microsoft Word - Cover letter to RRTT-IR-001 Comments.doc

    Broader source: Energy.gov (indexed) [DOE]

    arise that have not been dealt with at a significant level since the 1970s, when much of the transmission grid was built. Therefore, this RFI is appropriate and well-timed. ...

  1. First-Principle Analysis of the IR Stretching Band of Liquid Water |

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Department of Energy First-Hand Recollections of the First Self-Sustaining Chain Reaction First-Hand Recollections of the First Self-Sustaining Chain Reaction August 3, 2012 - 4:53pm Addthis On December 2, 1942, 49 scientists, led by Enrico Fermi, made history when Chicago Pile 1 (CP-1) went critical and produced the world's first self-sustaining, controlled nuclear chain reaction. Seventy years later, two of the last surviving CP-1 pioneers, Harold Agnew and Warren Nyer, recall that

  2. Materials Data on MnSbIr (SG:216) by Materials Project

    SciTech Connect (OSTI)

    Kristin Persson

    2014-11-02

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  3. Materials Data on CeGe3Ir (SG:107) by Materials Project

    SciTech Connect (OSTI)

    Kristin Persson

    2014-11-02

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  4. Materials Data on LaGe3Ir (SG:107) by Materials Project

    SciTech Connect (OSTI)

    Kristin Persson

    2015-01-27

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  5. IRS Issues New Tax Credit Guidance for Owners of Small Wind Turbines...

    Office of Environmental Management (EM)

    certification requirements that small wind turbine owners must meet to qualify for the 30% investment tax credit (ITC). For wind turbine owners to qualify for this tax credit under ...

  6. Experimental results from a DC photocathode electron gun for an IR FEL

    SciTech Connect (OSTI)

    Kehne, D.; Engwall, D.; Legg, R.; Shinn, M.

    1997-10-01

    A 350 keV DC photocathode gun capable of delivering the high-brightness CW electron beam necessary for Jefferson Lab`s infrared free-electron laser is described. The gun is to be used with a superconducting radiofrequency linac operating at 1.497 GHz and is mode-locked to the 40th subharmonic of the fundamental using a Nd:YLF drive laser. The gun provides 20--25 ps bunches at up to 135 pC/bunch. Experimental measurements of transverse and longitudinal beam properties are presented. Transverse emittance is measured using a slit-wire scanner emittance meter, and energy spread is measured using the slit and a spectrometer magnet. Longitudinal emittance is measured using a combination of sampling aperture, kicker cavity, slit and spectrometer. Measurements for bunch charges of 135 pC are described and compared with simulations.

  7. FT-IR study of CO2 interaction with Na-rich montmorillonite

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Krukowski, Elizabeth G.; Goodman, Angela; Rother, Gernot; Ilton, Eugene S.; Guthrie, George; Bodnar, Robert J.

    2015-05-27

    Here, carbon capture, utilization and storage (CCUS) in saline reservoirs in sedimentary formations has the potential to reduce the impact of fossil fuel combustion on climate change by reducing CO2 emissions to the atmosphere and storing the CO2 in geologic formations in perpetuity. At pressure and temperature (PT) conditions relevant to CCUS, CO2 is less dense than the pre-existing brine in the formation, and the more buoyant CO2 will migrate to the top of the formation where it will be in contact with cap rock. Interactions between clay-rich shale cap rocks and CO2 are poorly understood at PT conditions appropriatemore » for CCUS in saline formations. In this study, the interaction of CO2 with clay minerals in the cap rock overlying a saline formation has been examined using Na+ exchanged montmorillonite (Mt) (Na+-STx-1) (Na+ Mt) as an analog for clay-rich shale. Attenuated Total Reflectance-Fourier Transform Infrared Spectroscopy (ATR-FTIR) was used to discern mechanistic information for CO2 interaction with hydrated (both one- and two-water layers) and relatively dehydrated (both dehydrated layers and one-water layers) Na+-STx-1 at 35 °C and 50 C and CO2 pressure from 0 5.9 MPa. CO2-induced perturbations associated with the water layer and Na+-STx-1 vibrational modes such as AlAlOH and AlMgOH were examined. Data indicate that CO2 is preferentially incorporated into the interlayer space, with relatively dehydrated Na+-STx-1 capable of incorporating more CO2 compared to hydrated Na+-STx-1. Spectroscopic data provide no evidence of formation of carbonate minerals or the interaction of CO2 with sodium cations in the Na+-STx-1 structure.« less

  8. Materials Data on TbIr2 (SG:227) by Materials Project

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Kristin Persson

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  9. Materials Data on LaSiIr (SG:198) by Materials Project

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Kristin Persson

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  10. Materials Data on DyIr2 (SG:227) by Materials Project

    SciTech Connect (OSTI)

    Kristin Persson

    2015-02-09

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  11. Materials Data on YbIr2 (SG:227) by Materials Project

    SciTech Connect (OSTI)

    Kristin Persson

    2015-03-09

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  12. On-Line Weld NDE with IR Thermography | Department of Energy

    Broader source: Energy.gov (indexed) [DOE]

    Laser Spectroscopy Combined with Amplified Resonance and Low Pressure Sampling | Department of Energy A first set of results has found that LASAR and VLPS data in the laboratory closely correlate with real-time, in-use measurement of NH3 and NO under various driving conditions. p-13_lanher.pdf (282.08 KB) More Documents & Publications Combining Feedback Absorption Spectroscopy, Amplified Resonance and Low Pressure Sampling for the Measurement of Nitrogen-Containing Compounds in

  13. Status Report on the CEBAF IR and UV FELs (Conference) | SciTech...

    Office of Scientific and Technical Information (OSTI)

    a CW (low peak current) nuclear physics gun and has met all CEBAF performance ... output of a high charge DC photoemission gun under development with a 6 cm period ...

  14. Electronic Effects in the IR Spectrum of Water Under Confinement | Argonne

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Safety and Security | Department of Energy DOE Information Security System (eDISS) PIA, Office of Health Safety and Security Electronic DOE Information Security System (eDISS) PIA, Office of Health Safety and Security Electronic DOE Information Security System (eDISS) PIA, Office of Health Safety and Security Electronic DOE Information Security System (eDISS) PIA, Office of Health Safety and Security (88.14 KB) More Documents & Publications Integrated Safety Management Workshop

  15. Crystal structure of Sr{sub 3}Ir{sub 2}O{sub 7} investigated...

    Office of Scientific and Technical Information (OSTI)

    Agency (IAEA) Country of Publication: United States Language: English Subject: 36 MATERIALS SCIENCE; CRYSTAL STRUCTURE; CRYSTALLOGRAPHY; ELECTRON DIFFRACTION; FERROMAGNETISM; ...

  16. FT-IR study of CO2 interaction with Na-rich montmorillonite

    SciTech Connect (OSTI)

    Krukowski, Elizabeth G.; Goodman, Angela; Rother, Gernot; Ilton, Eugene S.; Guthrie, George; Bodnar, Robert J.

    2015-05-27

    Here, carbon capture, utilization and storage (CCUS) in saline reservoirs in sedimentary formations has the potential to reduce the impact of fossil fuel combustion on climate change by reducing CO2 emissions to the atmosphere and storing the CO2 in geologic formations in perpetuity. At pressure and temperature (PT) conditions relevant to CCUS, CO2 is less dense than the pre-existing brine in the formation, and the more buoyant CO2 will migrate to the top of the formation where it will be in contact with cap rock. Interactions between clay-rich shale cap rocks and CO2 are poorly understood at PT conditions appropriate for CCUS in saline formations. In this study, the interaction of CO2 with clay minerals in the cap rock overlying a saline formation has been examined using Na+ exchanged montmorillonite (Mt) (Na+-STx-1) (Na+ Mt) as an analog for clay-rich shale. Attenuated Total Reflectance-Fourier Transform Infrared Spectroscopy (ATR-FTIR) was used to discern mechanistic information for CO2 interaction with hydrated (both one- and two-water layers) and relatively dehydrated (both dehydrated layers and one-water layers) Na+-STx-1 at 35 °C and 50 C and CO2 pressure from 0 5.9 MPa. CO2-induced perturbations associated with the water layer and Na+-STx-1 vibrational modes such as AlAlOH and AlMgOH were examined. Data indicate that CO2 is preferentially incorporated into the interlayer space, with relatively dehydrated Na+-STx-1 capable of incorporating more CO2 compared to hydrated Na+-STx-1. Spectroscopic data provide no evidence of formation of carbonate minerals or the interaction of CO2 with sodium cations in the Na+-STx-1 structure.

  17. Experimental Determination of Damage Threshold Characteristics of IR Compatible Optical Materials

    SciTech Connect (OSTI)

    Soong, Ken

    2011-05-20

    The accelerating gradient in a laser-driven dielectric accelerating structure is often limited by the laser damage threshold of the structure. For a given laser-driven dielectric accelerator design, we can maximize the accelerating gradient by choosing the best combination of the accelerator's constituent material and operating wavelength. We present here a model of the damage mechanism from ultrafast infrared pulses and compare that model with experimental measurements of the damage threshold of bulk silicon. Additionally, we present experimental measurements of a variety of candidate materials, thin films, and nanofabricated accelerating structures.

  18. New Insulating Antiferromagnetic Quaternary Iridates MLa10Ir4O24...

    Office of Scientific and Technical Information (OSTI)

    ... reduced vis-a-vis that expected for a J V Kramer's ion. ... effects and super-exchange, while the latter ... and mounted on tips of glass fibers for X-ray diffraction. ...

  19. Implied Dynamic Feedback of 3D IR Radiative Transfer on Simulated Cloud Fields

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Implications of changing correlations between WTI and other commodities, asset classes, and implied volatility James Preciado October 2012 Independent Statistics & Analysis www.eia.gov U.S. Energy Information Administration Washington, DC 20585 This paper is released to encourage discussion and critical comment. The analysis and conclusions expressed here are those of the authors and not necessarily those of the U.S. Energy Information Administration. WORKING PAPER SERIES October 2012 James

  20. Ingersoll Rand I-R PowerWorks 70 | Open Energy Information

    Open Energy Info (EERE)

    Contact needs updating Image needs updating Reference needed Missing content Broken link Other Additional Comments Cancel Submit Category: Distributed Generation Prime Mover...

  1. NEAR-IR IMAGING POLARIMETRY TOWARD A BRIGHT-RIMMED CLOUD: MAGNETIC FIELD IN SFO 74

    SciTech Connect (OSTI)

    Kusune, Takayoshi; Sugitani, Koji [Graduate School of Natural Sciences, Nagoya City University, Mizuho-ku, Nagoya 467-8501 (Japan); Miao, Jingqi [Centre for Astrophysics and Planetary Science, School of Physical Sciences, University of Kent, Canterbury, Kent CT2 7NR (United Kingdom); Tamura, Motohide; Kwon, Jungmi [Department of Astronomy, University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-0033 (Japan); Sato, Yaeko [National Astronomical Observatory, 2-21-1 Osawa, Mikata, Tokyo 181-8588 (Japan); Watanabe, Makoto [Department of Cosmosciences, Hokkaido University, Kita 10, Nishi 8, Kita-ku, Sapporo, Hokkaido 060-0810 (Japan); Nishiyama, Shogo [Faculty of Education, Miyagi University of Education, Sendai 980-0845 (Japan); Nagayama, Takahiro [Department of Physics, Kagoshima University, 1-21-35 Korimoto, Kagoshima 890-0065 (Japan); Sato, Shuji [Department of Astrophysics, Nagoya University, Chikusa-ku, Nagoya 464-8602 (Japan)

    2015-01-01

    We have made near-infrared (JHK {sub s}) imaging polarimetry of a bright-rimmed cloud (SFO 74). The polarization vector maps clearly show that the magnetic field in the layer just behind the bright rim is running along the rim, quite different from its ambient magnetic field. The direction of the magnetic field just behind the tip rim is almost perpendicular to that of the incident UV radiation, and the magnetic field configuration appears to be symmetric as a whole with respect to the cloud symmetry axis. We estimated the column and number densities in the two regions (just inside and far inside the tip rim) and then derived the magnetic field strength, applying the Chandrasekhar-Fermi method. The estimated magnetic field strength just inside the tip rim, ?90 ?G, is stronger than that far inside, ?30 ?G. This suggests that the magnetic field strength just inside the tip rim is enhanced by the UV-radiation-induced shock. The shock increases the density within the top layer around the tip and thus increases the strength of the magnetic field. The magnetic pressure seems to be comparable to the turbulent one just inside the tip rim, implying a significant contribution of the magnetic field to the total internal pressure. The mass-to-flux ratio was estimated to be close to the critical value just inside the tip rim. We speculate that the flat-topped bright rim of SFO 74 could be formed by the magnetic field effect.

  2. Heralding efficiency and correlated-mode coupling of near-IR fiber coupled photon pairs

    SciTech Connect (OSTI)

    Dixon, P. Ben; Rosenberg, Danna; Stelmakh, Veronika; Grein, Matthew E.; Bennink, Ryan S; Dauler, Eric A.; Kerman, Andrew J.; Molnar, Richard J.; Wong, Franco N. C.

    2014-01-01

    We report on a systematic experimental study of heralding efficiency and generation rate of telecom-band infrared photon pairs generated by spontaneous parametric down-conversion and coupled to single mode optical fibers. We define the correlated-mode coupling efficiency--an inherent source efficiency--and explain its relation to heralding efficiency. For our experiment, we developed a reconfigurable computer controlled pump-beam and collection-mode optical apparatus which we used to measure the generation rate and correlated-mode coupling efficiency. The use of low-noise, high-efficiency superconducting-nanowire single-photon-detectors in this setup allowed us to explore focus configurations with low overall photon flux. The measured data agree well with theory and we demonstrated a correlated-mode coupling efficiency of 97 +-2%, which is the highest efficiency yet achieved for this type of system. These results confirm theoretical treatments and demonstrate that very high overall heralding efficiencies can, in principle, be achieved in quantum optical systems. It is expected that these results and techniques will be widely incorporated into future systems that require, or benefit from, a high heralding efficiency.

  3. Materials Data on ScB4Ir3 (SG:176) by Materials Project

    SciTech Connect (OSTI)

    Kristin Persson

    2015-02-09

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  4. Materials Data on NdIr3 (SG:221) by Materials Project

    SciTech Connect (OSTI)

    Kristin Persson

    2015-03-09

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  5. Materials Data on LaIr5 (SG:191) by Materials Project

    SciTech Connect (OSTI)

    Kristin Persson

    2015-03-09

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  6. Near IR Scanning Angle Total Internal Reflection Raman Spectroscopy at Smooth Gold Films

    SciTech Connect (OSTI)

    McKee, Kristopher; Meyer, Matthew; Smith, Emily

    2012-04-13

    Total internal reflection (TIR) Raman and reflectivity spectra were collected for nonresonant analytes as a function of incident angle at sapphire or sapphire/smooth 50 nm gold interfaces using 785 nm excitation. For both interfaces, the Raman signal as a function of incident angle is well-modeled by the calculated interfacial mean square electric field (MSEF) relative to the incident field times the thickness of the layer being probed in the Raman measurement (D{sub RS}). The Raman scatter was reproducibly enhanced at the interface containing a gold film relative to the sapphire interface by a factor of 4.34.6 for aqueous pyridine or 2.23.7 for neat nitrobenzene, depending on the analyzed vibrational mode. The mechanism for the increased Raman signal is the enhanced MSEF at incident angles where propagating surface plasmons are excited in the metal film. The background from the TIR prism was reduced by 8995% with the addition of the gold film, and the percent relative uncertainty in peak area was reduced from 15 to 1.7% for the 1347 cm1 mode of nitrobenzene. Single monolayers of benzenethiol (S/N = 6.8) and 4-mercaptopyridine (S/N = 16.5) on gold films were measured by TIR Raman spectroscopy with 785 nm excitation (210 mW) without resonant enhancement in 1 min.

  7. FT-IR Study of CO2 Interaction with Na-rich Montmorillonite ...

    Office of Scientific and Technical Information (OSTI)

    ORNL National Energy Technology Laboratory (NETL) Pacific Northwest National Laboratory (PNNL) Virginia Polytechnic Institute and State University Publication Date: 2015-01-01 OSTI ...

  8. Status Report on the CEBAF IR and UV FELs (Conference) | SciTech...

    Office of Scientific and Technical Information (OSTI)

    electron source for nuclear physics, is also an ideal FEL driver.The 45 MeV front end linac is presently operational with a CW (low peak current) nuclear physics gun and has met ...

  9. Materials Data on Sc11Ir4 (SG:225) by Materials Project

    SciTech Connect (OSTI)

    Kristin Persson

    2015-02-18

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  10. On Loops in Inflation II: IR Effects in Single Clock Inflation...

    Office of Scientific and Technical Information (OSTI)

    Technical Information Service, Springfield, VA at www.ntis.gov. Authors: Senatore, Leonardo ; Stanford U., ITP KIPAC, Menlo Park ; Zaldarriaga, Matias ; Princeton, Inst....

  11. Superconducting and magnetic properties of Sr3Ir4Sn13

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Biswas, P. K.; Amato, A.; Khasanov, R.; Luetkens, H.; Wang, Kefeng; Petrovic, C.; Cook, R. M.; Lees, M. R.; Morenzoni, E.

    2014-10-10

    In this research, magnetization and muon spin relaxation or rotation (µSR) measurements have been performed to study the superconducting and magnetic properties of Sr₃Ir₄Sn₁₃. From magnetization measurements the lower and upper critical fields of Sr₃Ir₄Sn₁₃ are found to be 81(1) Oe and 14.4(2) kOe, respectively. Zero-field µSR data show no sign of any magnetic ordering or weak magnetism in Sr₃Ir₄Sn₁₃. Transverse-field µSR measurements in the vortex state provided the temperature dependence of the magnetic penetration depth λ. The dependence of λ⁻² with temperature is consistent with the existence of single s-wave energy gap in the superconducting state of Sr₃Ir₄Sn₁₃ withmore » a gap value of 0.82(2) meV at absolute zero temperature. The magnetic penetration depth at zero temperature λ(0) is 291(3) nm. The ratio Δ(0)/kBTc = 2.1(1) indicates that Sr₃Ir₄Sn₁₃ should be considered as a strong-coupling superconductor.« less

  12. EPA Approval for Dismantling of Building 409. IR-800-804-1.01.

    Office of Legacy Management (LM)

  13. EPA Approval of Containerized Waste Disposal. IR-500-504-1.01.

    Office of Legacy Management (LM)

  14. EPA Comments on Interim Response Actions (IRA's). IR-600-604-1.02.

    Office of Legacy Management (LM)

  15. Letter: EPA Comments on Interim Response Actions (IRA's). IR-700-704-1.02.

    Office of Legacy Management (LM)

  16. A CATALOG OF NEAR-IR SOURCES FOUND TO BE UNRESOLVED WITH MILLIARCSECOND RESOLUTION

    SciTech Connect (OSTI)

    Richichi, A.; Fors, O.; Cusano, F.; Moerchen, M.

    2012-12-15

    Calibration is one of the long-standing problems in optical interferometric measurements, particularly with long baselines which demand stars with angular sizes on the milliarcsecond scale and no detectable companions. While systems of calibrators have been generally established for the near-infrared in the bright source regime (K {approx}< 3 mag), modern large interferometers are sensitive to significantly fainter magnitudes. We aim to provide a list of sources found to be unresolved from direct observations with high angular resolution and dynamic range, which can be used to choose interferometric calibrators. To this purpose, we have used a large number of lunar occultations recorded with the ISAAC instrument at the Very Large Telescope to select sources found to be unresolved and without close companions. An algorithm has been used to determine the limiting angular resolution achieved for each source, taking into account a noise model built from occulted and unocculted portions of the light curves. We have obtained upper limits on the angular sizes of 556 sources, with magnitudes ranging from K{sub s} Almost-Equal-To 4 to 10, with a median of 7.2 mag. The upper limits on possible undetected companions (within Almost-Equal-To 0.''5) range from K{sub s} Almost-Equal-To 8 to 13, with a median of 11.5 mag. One-third of the sources have angular sizes {<=}1 mas, and two-thirds have sizes {<=}2 mas. This list of unresolved sources matches well the capabilities of current large interferometric facilities. We also provide available cross-identifications, magnitudes, spectral types, and other auxiliary information. A fraction of the sources are found to be potentially variable. The list covers parts of the Galactic Bulge and in particular the vicinity of the Galactic Center, where extinction is very significant and traditional lists of calibrators are often insufficient.

  17. Hubble space telescope near-ir transmission spectroscopy of the super-Earth HD 97658B

    SciTech Connect (OSTI)

    Knutson, Heather A.; Dragomir, Diana; Kreidberg, Laura; Bean, Jacob L.; Kempton, Eliza M.-R.; McCullough, P. R.; Fortney, Jonathan J.; Gillon, Michael; Homeier, Derek; Howard, Andrew W.

    2014-10-20

    Recent results from the Kepler mission indicate that super-Earths (planets with masses between 1-10 times that of the Earth) are the most common kind of planet around nearby Sun-like stars. These planets have no direct solar system analogue, and are currently one of the least well-understood classes of extrasolar planets. Many super-Earths have average densities that are consistent with a broad range of bulk compositions, including both water-dominated worlds and rocky planets covered by a thick hydrogen and helium atmosphere. Measurements of the transmission spectra of these planets offer the opportunity to resolve this degeneracy by directly constraining the scale heights and corresponding mean molecular weights of their atmospheres. We present Hubble Space Telescope near-infrared spectroscopy of two transits of the newly discovered transiting super-Earth HD 97658b. We use the Wide Field Camera 3's (WFC3) scanning mode to measure the wavelength-dependent transit depth in 30 individual bandpasses. Our averaged differential transmission spectrum has a median 1? uncertainty of 23 ppm in individual bins, making this the most precise observation of an exoplanetary transmission spectrum obtained with WFC3 to date. Our data are inconsistent with a cloud-free solar metallicity atmosphere at the 10? level. They are consistent at the 0.4? level with a flat line model, as well as effectively flat models corresponding to a metal-rich atmosphere or a solar metallicity atmosphere with a cloud or haze layer located at pressures of 10 mbar or higher.

  18. Materials Data on K(IrO2)4 (SG:12) by Materials Project

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Kristin Persson

    2014-11-02

    Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

  19. Office of Civil Rights NA-1.2 VIDEO LIBRARY Item Title

    National Nuclear Security Administration (NNSA)

    Disabilities and the ADA w Frank C. Morris Jr 1 CD 1 1 hr 1 min 2010 Lorman Education Services 2 Mental Illness, Intellectual Disabilities and the ADA w Frank C. Morris Jr 1 CD ...

  20. Literature Review of Mobility Control Methods for CO2

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    ADaPT Networked: | Department of Energy List of Major Information Systems,National Nuclear Security Administration ADaPT Networked: List of Major Information Systems,National Nuclear Security Administration ADaPT Networked: List of Major Information Systems, Defense Line of Business National Nuclear Security Administration ADaPT Networked: Develops and deploys emerging information networking technology to production processes in support of the U.S. nuclear weapons stockpile. National Nuclear

  1. List of Major Information Systems,National Nuclear Security Administration

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    ADaPT Networked: | Department of Energy List of Major Information Systems,National Nuclear Security Administration ADaPT Networked: List of Major Information Systems,National Nuclear Security Administration ADaPT Networked: List of Major Information Systems, Defense Line of Business National Nuclear Security Administration ADaPT Networked: Develops and deploys emerging information networking technology to production processes in support of the U.S. nuclear weapons stockpile. National Nuclear

  2. Analysis of a new MoO transition in the near-IR: A combined theoretical and experimental study

    SciTech Connect (OSTI)

    Harms, Jack C.; Womack, Kaitlin A.; O’Brien, Leah C.; Zou, Wenli

    2014-10-07

    The near-infrared electronic spectrum of MoO has been recorded in emission using the Fourier transform spectrometer associated with the National Solar Observatory at Kitt Peak, AZ. The gas phase MoO molecules were produced in a neon-based electric discharge using a molybdenum hollow cathode and a trace amount of oxygen. One MoO molecular band was observed in the spectrum with a red-degraded bandhead at 6735 cm{sup −1} and is assigned as the (0,0) band of the c {sup 3}Π{sub 1} − a {sup 3}Σ{sup −}{sub 0+} transition. The assignment is based upon isotopologue shifts and ab initio calculations. Results from the ab initio calculations and analysis are presented. The new calculations support the assignment of the observed transition and have led to reassignment of several electronic states from previous work.

  3. Solvation of fluoro-acetonitrile in water by 2D-IR spectroscopy: A combined experimental-computational study

    SciTech Connect (OSTI)

    Cazade, Pierre-André; Das, Akshaya K.; Tran, Halina; Kläsi, Felix; Hamm, Peter; Bereau, Tristan; Meuwly, Markus

    2015-06-07

    The solvent dynamics around fluorinated acetonitrile is characterized by 2-dimensional infrared spectroscopy and atomistic simulations. The lineshape of the linear infrared spectrum is better captured by semiempirical (density functional tight binding) mixed quantum mechanical/molecular mechanics simulations, whereas force field simulations with multipolar interactions yield lineshapes that are significantly too narrow. For the solvent dynamics, a relatively slow time scale of 2 ps is found from the experiments and supported by the mixed quantum mechanical/molecular mechanics simulations. With multipolar force fields fitted to the available thermodynamical data, the time scale is considerably faster—on the 0.5 ps time scale. The simulations provide evidence for a well established CF–HOH hydrogen bond (population of 25%) which is found from the radial distribution function g(r) from both, force field and quantum mechanics/molecular mechanics simulations.

  4. In Situ SIMS and IR Spectroscopy of Well-Defined Surfaces Prepared by Soft Landing of Mass-Selected Ions

    SciTech Connect (OSTI)

    Johnson, Grant E.; Gunaratne, Kalupathirannehelage Don D.; Laskin, Julia

    2014-06-16

    Soft landing of mass-selected ions onto surfaces is a powerful approach for the highly-controlled preparation of materials that are inaccessible using conventional synthesis techniques. Coupling soft landing with in situ characterization using secondary ion mass spectrometry (SIMS) and infrared reflection absorption spectroscopy (IRRAS) enables analysis of well-defined surfaces under clean vacuum conditions. The capabilities of three soft-landing instruments constructed in our laboratory are illustrated for the representative system of surface-bound organometallics prepared by soft landing of mass-selected ruthenium tris(bipyridine) dications, [Ru(bpy)3]2+, onto carboxylic acid terminated self-assembled monolayer surfaces on gold (COOH-SAMs). In situ time-of-flight (TOF)-SIMS provides insight into the reactivity of the soft-landed ions. In addition, the kinetics of charge reduction, neutralization and desorption occurring on the COOH-SAM both during and after ion soft landing are studied using in situ Fourier transform ion cyclotron resonance (FT-ICR)-SIMS measurements. In situ IRRAS experiments provide insight into how the structure of organic ligands surrounding metal centers is perturbed through immobilization of organometallic ions on COOH-SAM surfaces by soft landing. Collectively, the three instruments provide complementary information about the chemical composition, reactivity and structure of well-defined species supported on surfaces.

  5. FT-IR Investigation of Hoveyda-Grubbs'2{sup nd} Generation Catalyst in Self-Healing Epoxy Mixtures

    SciTech Connect (OSTI)

    Guadagno, Liberata; Naddeo, Carlo; Vittoria, Vittoria; Longo, Pasquale; Raimondo, Marialuigia; Mariconda, Annaluisa; Iannuzzo, Generoso; Russo, Salvatore

    2010-06-02

    The development of smart composites capable of self-repair on aeronautical structures is still at the planning stage owing to complex issues to overcome. A very important issue to solve concerns the components' stability of the proposed composites which are compromised at the cure temperatures necessary for good performance of the composite. In this work we analyzed the possibility to apply Hoveyda Grubbs' second generation catalyst (HG2) to develop self-healing systems. Our experimental results have shown critical issues in the use of epoxy precursors in conjunction with Hoveyda-Grubbs II metathesis catalyst. However, an appropriate curing cycle of the self-healing mixture permits to overcome the critical issues making possible high temperatures for the curing process without deactivating self-repair activity.

  6. Missouri Department of Natural Resources (MDNR) Comments on Interim Response Actions (IRA's). IR-700-704-1.03.

    Office of Legacy Management (LM)

  7. Missouri Department of Natural Resourses (DNR) Comments on Interim Response Actions (IRA's). IR-600-604-1.03.

    Office of Legacy Management (LM)

  8. Proposed Interim Response Action Number 3, Material Staging Area, Revision 0. IR-1300-1303-1.02.

    Office of Legacy Management (LM)

  9. Removal of Abandoned Power Lines and Poles From Weldon Spring Site. IR-600-603-1.01.

    Office of Legacy Management (LM)

  10. Flexible attosecond beamline for high harmonic spectroscopy and XUV/near-IR pump probe experiments requiring long acquisition times

    SciTech Connect (OSTI)

    Weber, S. J. Manschwetus, B.; Billon, M.; Bougeard, M.; Breger, P.; Géléoc, M.; Gruson, V.; Lin, N.; Ruchon, T.; Salières, P.; Carré, B.

    2015-03-15

    We describe the versatile features of the attosecond beamline recently installed at CEA-Saclay on the PLFA kHz laser. It combines a fine and very complete set of diagnostics enabling high harmonic spectroscopy (HHS) through the advanced characterization of the amplitude, phase, and polarization of the harmonic emission. It also allows a variety of photo-ionization experiments using magnetic bottle and COLTRIMS (COLd Target Recoil Ion Momentum Microscopy) electron spectrometers that may be used simultaneously, thanks to a two-foci configuration. Using both passive and active stabilization, special care was paid to the long term stability of the system to allow, using both experimental approaches, time resolved studies with attosecond precision, typically over several hours of acquisition times. As an illustration, applications to multi-orbital HHS and electron-ion coincidence time resolved spectroscopy are presented.

  11. Atmospheric lifetimes and global warming potentials of hydrofluoroethers: Reactivity toward OH, UV spectra, and IR absorption cross sections

    SciTech Connect (OSTI)

    Orkin, V.L.; Villenave, E.; Huie, R.E.; Kurylo, M.J.

    1999-12-02

    The rate constants for the reactions of OH radicals with the fluorinated ethers, CHF{sub 2}-O-CHF{sub 2} (HFOC-134) and CF{sub 3}CH{sub 2}-O-CH{sub 2}CF{sub 3} (HFOC-356mff), were measured using the flash photolysis resonance fluorescence technique over the temperature range 277--370 K to give the following Arrhenius expressions: k{sub HFOC-356mff}(T) = (2.32{sub {minus}0.41}{sup +0.46}) x 10{sup {minus}12} exp{l{underscore}brace}{minus}(790 {+-} 47)/T{r{underscore}brace} cm{sup 3} molecule{sup {minus}1} s{sup {minus}1}. On the basis of the analysis of the available experimental results, the following Arrhenius expression can be recommended for the rate constant of the reaction between OH and HFOC-134: k{sub HFOC-134}(T) = (0.82{sub {minus}0.24}{sup +0.34}) x 10{sup {minus}12} exp{l{underscore}brace}{minus}(1,730 {+-} 110)/T{r{underscore}brace} cm{sup 3} molecule{sup {minus}1} s{sup {minus}1}. Atmospheric lifetimes were estimated to be 24.8 years for HFOC-134 (23.8 years based on the results of this study alone) and 0.3 years for HFOC-356mff. Infrared absorption cross sections of HFOC-134, HFOC-356mff, and HFOC-125 (CHF{sub 2}-O-CF{sub 3}) were measured at T = 295 K from 500 to 1,600 cm{sup {minus}1} and the global warming potentials of the three compounds were estimated. Ultraviolet absorption spectra of the ethers were measured between 160 and 220 nm. The general pattern of reactivity of hydrofluoroethers toward OH is discussed.

  12. Raman and far ir spectroscopic study of quaternary ammonium polybromide fused salt phases for zinc bromine circulating electrolyte batteries

    SciTech Connect (OSTI)

    Larrabee, J.A.; Graf, K.R.; Grimes, P.G.

    1985-01-01

    The circulating electrolyte zinc bromine battery is an attractive advanced battery system. The electrolyte is a solution of zinc bromide, quaternary ammonium bromides for bromine complexation and added salts to enhance properties. Laser Raman spectroscopy and far infrared spectroscopy were used to characterize the liquid quaternary ammonium polybromide fused salt phases.

  13. Gas Phase Photoacoustic Spectroscopy in the long-wave IR using Quartz Tuning Forks and Amplitude Modulated Quantum Cascade Lasers

    SciTech Connect (OSTI)

    Wojcik, Michael D.; Phillips, Mark C.; Cannon, Bret D.

    2006-12-31

    A paper to accompany a 20 minute talk about the progress of a DARPA funded project called LPAS. ABSTRACT: We demonstrate the performance of a novel long-wave infrared photoacoustic laser absorbance spectrometer for gas-phase species using an amplitude modulated (AM) quantum cascade (QC) laser and a quartz tuning fork microphone. Photoacoustic signal was generated by focusing the output of a Fabry-Perot QC laser operating at 8.41 micron between the legs of a quartz tuning fork which served as a transducer for the transient acoustic pressure wave. The QC laser was modulated at the resonant frequency of the tuning fork (32.8 kHz). This sensor was calibrated using the infrared absorber Freon-134a by performing a simultanious absorption measurement using a 35 cm absorption cell. The NEAS of this instrument was determined to be 2 x 10^-8 W cm^-1 /Hz^1/2 and the fundamental sensitivity of this technique is limited by the noise floor of the tuning fork itself.

  14. Magnetic properties of RT2Zn20; R = rare earth, T = Fe, Co, Ru, Os and Ir

    SciTech Connect (OSTI)

    Jia, Shuang

    2008-12-15

    It is well known that rare earth intermetallic compounds have versatile, magnetic properties associated with the 4f electrons: a local moment associated with the Hund's rule ground state is formed in general, but a strongly correlated, hybridized state may also appear for specific 4f electronic configuration (eg. for rare earth elements such as Ce or Yb). On the other hand, the conduction electrons in rare earth intermetallic compounds, certainly ones associated with non hybridizing rare earths, usually manifest non-magnetic behavior and can be treated as a normal, non-interacted Fermi liquid, except for some 3d-transition metal rich binary or ternary systems which often manifest strong, itinerant, d electron dominant magnetic behavior. Of particular interest are examples in which the band filling of the conduction electrons puts the system in the vicinity of a Stoner transition: such systems, characterized as nearly or weakly ferromagnet, manifest strongly correlated electronic properties [Moriya, 1985]. For rare earth intermetallic compounds, such systems provide an additional versatility and allow for the study of the behaviors of local moments and hybridized moments which are associated with 4f electron in a correlated conduction electron background.

  15. Ir/PuO/sub 2/ compatibility: transfer of impurities from plutonium dioxide to iridium metal during high temperature aging

    SciTech Connect (OSTI)

    Taylor, D.H.; Christie, W.H.; Pavone, D.

    1984-01-01

    Plutonium oxide fuel pellets for powering radioisotopic thermoelectric generators for NASA space vehicles are encapsulated in iridium which has been grain-boundary-stabilized with thorium and aluminum. After aging for 6 months at 1310/sup 0/C under vacuum, enhanced grain growth is observed in the near-surface grains of the iridium next to the PuO/sub 2/. Examination of the grain boundaries by AES and SIMS shows a depletion of thorium and aluminum. Iron, chromium, and nickel from the fuel were found to diffuse into the iridium along the grain boundaries. Enhanced grain growth appears to result from thorium depletion in the grain boundaries of the near-surface grains next to the fuel. However, in one instance grain growth was slowed by the formation of thorium oxide by oxygen diffusing up the grain boundaries.

  16. Andromeda (M31) optical and infrared disk survey. I. Insights in wide-field near-IR surface photometry

    SciTech Connect (OSTI)

    Sick, Jonathan; Courteau, Stphane; Cuillandre, Jean-Charles; McDonald, Michael; De Jong, Roelof; Tully, R. Brent

    2014-05-01

    We present wide-field near-infrared J and K{sub s} images of the Andromeda Galaxy (M31) taken with WIRCam at the Canada-France-Hawaii Telescope as part of the Andromeda Optical and Infrared Disk Survey. This data set allows simultaneous observations of resolved stars and near-infrared (NIR) surface brightness across M31's entire bulge and disk (within R = 22 kpc), permitting a direct test of the stellar composition of near-infrared light in a nearby galaxy. Here we develop NIR observation and reduction methods to recover a uniform surface brightness map across the 3 1 disk of M31 with 27 WIRCam fields. Two sky-target nodding strategies are tested, and we find that strictly minimizing sky sampling latency cannot improve background subtraction accuracy to better than 2% of the background level due to spatio-temporal variations in the NIR skyglow. We fully describe our WIRCam reduction pipeline and advocate using flats built from night-sky images over a single night, rather than dome flats that do not capture the WIRCam illumination field. Contamination from scattered light and thermal background in sky flats has a negligible effect on the surface brightness shape compared to the stochastic differences in background shape between sky and galaxy disk fields, which are ?0.3% of the background level. The most dramatic calibration step is the introduction of scalar sky offsets to each image that optimizes surface brightness continuity. Sky offsets reduce the mean surface brightness difference between observation blocks from 1% to <0.1% of the background level, though the absolute background level remains statistically uncertain to 0.15% of the background level. We present our WIRCam reduction pipeline and performance analysis to give specific recommendations for the improvement of NIR wide-field imaging methods.

  17. Building Demolition Waste Analysis Plan, Revision 0; DOE/OR/21548-345. IR-1300-1301-1.02.

    Office of Legacy Management (LM)

  18. Chracterization Report, Material Staging Area, Interim Remedial Action (IRA) Number 3. IR-1300-1302-1.02

    Office of Legacy Management (LM)

  19. Dismantling of Building 409. Missouri Department of Natural Resources (MDNR) on Interim Response Actions. IR-800-804-1.03

    Office of Legacy Management (LM)

  20. Prepared in response to formal guidance and a request by Sam...

    Broader source: Energy.gov (indexed) [DOE]

    ... The CCSI Industry Advisory Board includes Energy Technology Providers (Babcock & Wilcox, General Electric, Alstom, ADA- ES), Design and Construction Companies (Fluor, URS, and ...

  1. Americans with Disabilities Act Signed (1990)

    Broader source: Energy.gov [DOE]

    The Americans with Disabilities Act of 1990 (ADA) prohibits discrimination and ensures equal opportunity for persons with disabilities in employment, State and local government services, public...

  2. Advances

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    The spectrum is analyzed using a sophisticated model derived from the Atomic Database and Analysis Structure ADAS package. The MSE system records the entire H Stark spectrum...

  3. List of Major Information Systems,National Nuclear Security Administra...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    List of Major Information Systems,National Nuclear Security Administration ADaPT ... List of Major Information Systems, Defense Line of Business National Nuclear Security ...

  4. Implementation Guide of Medical Standards for Firefighters

    Broader source: Energy.gov [DOE]

    These guidelines were prepared to assist the DOE contractor site occupational medical programs in developing NFPA-based firefighter standards that comply with the ADA.

  5. 2009 Nobel Prize in Chemistry | OSTI, US Dept of Energy, Office...

    Office of Scientific and Technical Information (OSTI)

    Prize in Chemistry October 2009 - Venkatraman Ramakrishnan, Thomas A. Steitz, and Ada E. Yonath were awarded the 2009 Nobel Prize in Chemistry for their seminal research ...

  6. ARM - Publications: Science Team Meeting Documents

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    A.D.(a), and Minnis, P.(b), Analytical Services & Materials, Inc. (a), National Aeronautics and Space Administration-Langley Research Center (b) Twelfth Atmospheric Radiation...

  7. Another Door Opens: Marion Invests in Energy Efficiency | Department...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    new handicap, motorized door to make the entrance ADA compliant. City Services Director Jay Shoup said the new front doors will increase door space while reducing the city's...

  8. Management of Sump Waters Sediment Contained in Process and Non-Process Buildings at the Chemical Plant Area (CPA). IR-1300-1305-1.01

    Office of Legacy Management (LM)

  9. Radiological Survey of the U. S. Army Reserve Property at the Weldon Spring Site. Final Report. IR-300-302-1.02.

    Office of Legacy Management (LM)

  10. Responsiveness Summary for the Engineering Evaluation/Cost Analysis for the Proposed Management of Contaminated Water in the Weldon Spring Quarry. IR-1500-1503-1.04.

    Office of Legacy Management (LM)

  11. Specification for Containerized Waste Handling Transport and Disposal. Specification by MK Ferguson is stamped Superceded. IR-500-503-1.03

    Office of Legacy Management (LM)

  12. Time-Resolved Quantitative Measurement of OH HO2 and CH2O in Fuel Oxidation Reactions by High Resolution IR Absorption Spectroscopy.

    SciTech Connect (OSTI)

    Huang, Haifeng; Rotavera, Brandon; Taatjes, Craig A.

    2014-08-01

    Combined with a Herriott-type multi-pass slow flow reactor, high-resolution differential direct absorption spectroscopy has been used to probe, in situ and quantitatively, hydroxyl (OH), hydroperoxy (HO 2 ) and formaldehyde (CH 2 O) molecules in fuel oxidation reactions in the reactor, with a time resolution of about 1 micro-second. While OH and CH 2 O are probed in the mid-infrared (MIR) region near 2870nm and 3574nm respectively, HO 2 can be probed in both regions: near-infrared (NIR) at 1509nm and MIR at 2870nm. Typical sensitivities are on the order of 10 10 - 10 11 molecule cm -3 for OH at 2870nm, 10 11 molecule cm -3 for HO 2 at 1509nm, and 10 11 molecule cm -3 for CH 2 O at 3574nm. Measurements of multiple important intermediates (OH and HO 2 ) and product (CH 2 O) facilitate to understand and further validate chemical mechanisms of fuel oxidation chemistry.

  13. X-ray nanotomography of SiO{sub 2}-coated Pt{sub 90}Ir{sub 10} tips with sub-micron conducting apex

    SciTech Connect (OSTI)

    Rose, V.; Chien, T. Y.; Hiller, J.; Rosenmann, D.; Winarski, R. P.

    2011-10-24

    Hard x-ray nanotomography provides an important three-dimensional view of insulator-coated ''smart tips'' that can be utilized for modern emerging scanning probe techniques. Tips, entirely coated by an insulating SiO{sub 2} film except at the very tip apex, are fabricated by means of electron beam physical vapor deposition, focused ion beam milling and ion beam-stimulated oxide growth. Although x-ray tomography studies confirm the structural integrity of the oxide film, transport measurements suggest the presence of defect-induced states in the SiO{sub 2} film. The development of insulator-coated tips can facilitate nanoscale analysis with electronic, chemical, and magnetic contrast by synchrotron-based scanning probe microscopy.

  14. Chemical, FT-IR, and EXAFS study of the interaction between HFe/sub 4/(CH)(CO)/sup 12/ and partially dehydroxylated alumina

    SciTech Connect (OSTI)

    Drezdzon, M.A.; Tessier-Youngs, C.; Woodcock, C.; Blonsky, P.M.; Leal, O.; Teo, B.K.; Burwell, R.L. Jr.; Shriver, D.F.

    1985-07-17

    The initial reaction of HFe/sub 4/(CH)(CO)/sub 12/ with partially dehydroxylated alumina produces (HFe/sub 4/(C)(CO)/sub 12/)/sup -/, which is bound to the surface. Evolution of CO occurs slowly by extensive loss of CO from a small number of cluster molecules. This process leads to the coexistence of intact (HFe/sub 4/(C)(CO)/sub 12/)/sup -/ plus an iron or iron carbide like species. In keeping with this interpretation, the supported material displays activities for the reduction of Co and the hydrogenation of benzene and product distributions that are typical of iron metal.

  15. Microbial agent detection using near-IR electrophoretic and spectral signatures (MADNESS) for rapid identification in detect-to-warn applications.

    SciTech Connect (OSTI)

    Gomez, Anthony Lee; Bambha, Ray P.; VanderNoot, Victoria A.; Fruetel, Julia A.; Renzi, Ronald F.; Krafcik, Karen Lee

    2009-10-01

    Rapid identification of aerosolized biological agents following an alarm by particle triggering systems is needed to enable response actions that save lives and protect assets. Rapid identifiers must achieve species level specificity, as this is required to distinguish disease-causing organisms (e.g., Bacillus anthracis) from benign neighbors (e.g., Bacillus subtilis). We have developed a rapid (1-5 minute), novel identification methodology that sorts intact organisms from each other and particulates using capillary electrophoresis (CE), and detects using near-infrared (NIR) absorbance and scattering. We have successfully demonstrated CE resolution of Bacillus spores and vegetative bacteria at the species level. To achieve sufficient sensitivity for detection needs ({approx}10{sup 4} cfu/mL for bacteria), we have developed fiber-coupled cavity-enhanced absorbance techniques. Using this method, we have demonstrated {approx}two orders of magnitude greater sensitivity than published results for absorbing dyes, and single particle (spore) detection through primarily scattering effects. Results of the integrated CE-NIR system for spore detection are presented.

  16. Quantum-mechanical simulation of the IR reflectance spectrum of Mn{sub 3}Al{sub 2}Si{sub 3}O{sub 12} spessartine

    SciTech Connect (OSTI)

    Ferrari, A. M.; Demichelis, R.; Meyer, A.; Maschio, L.; Dovesi, R.; Pascale, F.

    2015-01-22

    The reflectance spectrum of one member of the garnet family, Mn{sub 3}Al{sub 2}Si{sub 3}O{sub 12} spessartine, was computed at the ab initio level with an all electron Gaussian type basis set and the B3LYP Hamiltonian. The static high frequency dielectric constant was obtained by applying the Coupled Perturbed Kohn Sham scheme as implemented in the CRYSTAL code; the Hessian matrix was evaluated numerically starting from the analytical gradients of the total energy with respect to the Cartesian coordinates of the atoms; the oscillator strengths were computed from well localized Wannier functions. An excellent agreement was obtained with the corresponding experimental spectrum, the exception being the very low frequency region.

  17. THE GALEX/S{sup 4}G UV–IR COLOR–COLOR DIAGRAM: CATCHING SPIRAL GALAXIES AWAY FROM THE BLUE SEQUENCE

    SciTech Connect (OSTI)

    Bouquin, Alexandre Y. K.; Gil de Paz, Armando; Gallego, Jesús; Boissier, Samuel; Muñoz-Mateos, Juan-Carlos; Sheth, Kartik; Laine, Jarkko; Peletier, Reynier F.; Röck, Benjamin R.; Knapen, Johan H.

    2015-02-10

    We obtained GALEX FUV, NUV, and Spitzer/IRAC 3.6 μm photometry for >2000 galaxies, available for 90% of the S{sup 4}G sample. We find a very tight GALEX blue sequence (GBS) in the (FUV–NUV) versus (NUV–[3.6]) color–color diagram, which is populated by irregular and spiral galaxies, and is mainly driven by changes in the formation timescale (τ) and a degeneracy between τ and dust reddening. The tightness of the GBS provides an unprecedented way of identifying star-forming galaxies and objects that are just evolving to (or from) what we call the GALEX green valley (GGV). At the red end of the GBS, at (NUV–[3.6]) > 5, we find a wider GALEX red sequence (GRS) mostly populated by E/S0 galaxies that has a perpendicular slope to that of the GBS and of the optical red sequence. We find no such dichotomy in terms of stellar mass (measured by M{sub [3.6]}) since both massive (M{sub ⋆}>10{sup 11}M{sub ⊙}) blue- and red-sequence galaxies are identified. The type that is proportionally more often found in the GGV is the S0-Sa’s, and most of these are located in high-density environments. We discuss evolutionary models of galaxies that show a rapid transition from the blue to the red sequence on a timescale of 10{sup 8} yr.

  18. Non-Destructive Evaluation of Slot-Die-Coated Lithium Secondary Battery Electrodes by In-Line Laser Caliper and IR Thermography Methods-Journal Cover Page

    SciTech Connect (OSTI)

    Mohanty, Debasish; Li, Jianlin; Born, Rachael; Maxey, L Curt; Dinwiddie, Ralph Barton; Daniel, Claus; Wood III, David L

    2014-01-01

    Note: This is a cover page for the 'Analytical Methods' journal, which was requested by the journal editor for consideration. The article has already been published and the PTS publication ID is 44000. The acknowledgements are same as mentioned in the PTS publication ID 44000.

  19. PDR MODEL MAPPING OF PHYSICAL CONDITIONS VIA SPITZER/IRS SPECTROSCOPY OF H{sub 2}: THEORETICAL SUCCESS TOWARD NGC 2023-SOUTH

    SciTech Connect (OSTI)

    Sheffer, Y.; Wolfire, M. G.; Hollenbach, D. J.; Kaufman, M. J.; Cordier, M.

    2011-11-01

    We use the Infrared Spectrograph on Spitzer to observe the southern part of the reflection nebula NGC 2023, including the Southern Ridge, which is a photodissociation region (PDR) par excellence excited by HD 37903. Five pure-rotational H{sub 2} emission lines are detected and mapped over and around the Southern Ridge in order to compare with predicted level column densities from theoretical PDR models. We find very good agreement between PDR model predictions and emission line intensities and ratios measured with Spitzer, leading us to conclude that grain photoelectric heating sufficiently warms the gas to produce the observed H{sub 2} line emission via collisional excitation. On the Southern Ridge, we infer a hydrogen nucleus density n{sub H} Almost-Equal-To 2 Multiplication-Sign 10{sup 5} cm{sup -3} and radiation field strength {chi} Almost-Equal-To 10{sup 4} relative to the local Galactic interstellar radiation field. This high value for {chi} independently predicts a distance toward HD 37903 of 300 pc and is consistent with the most recent Hipparcos results. Over the map we find that both n{sub H} and {chi} vary by a factor of {approx}3. Such two-dimensional variations provide clues about the underlying three-dimensional structure of the Southern Ridge field, which appears to be the tip of a molecular cloud. We also map variations in excitation temperature and the ortho-to-para ratio, the latter attaining values of {approx}1.5-2.0 on the Southern Ridge, and find that PDR modeling can readily reproduce observed ortho-to-para ratios that are <3 for rotational excitation dominated by collisional processes. Last, the stars Sellgren C and G are discovered to be resolved on archival Hubble Space Telescope images into two point sources each, with separations of {approx}<0.''5.

  20. Emission from water vapor and absorption from other gases at 5-7.5 μm in Spitzer-IRS Spectra Of Protoplanetary Disks

    SciTech Connect (OSTI)

    Sargent, B. A.; Forrest, W.; Watson, Dan M.; Kim, K. H.; Richter, I.; Tayrien, C.; D'Alessio, P.; Calvet, N.; Furlan, E.; Green, J.; Pontoppidan, K.

    2014-09-10

    We present spectra of 13 T Tauri stars in the Taurus-Auriga star-forming region showing emission in Spitzer Space Telescope Infrared Spectrograph 5-7.5 μm spectra from water vapor and absorption from other gases in these stars' protoplanetary disks. Seven stars' spectra show an emission feature at 6.6 μm due to the ν{sub 2} = 1-0 bending mode of water vapor, with the shape of the spectrum suggesting water vapor temperatures >500 K, though some of these spectra also show indications of an absorption band, likely from another molecule. This water vapor emission contrasts with the absorption from warm water vapor seen in the spectrum of the FU Orionis star V1057 Cyg. The other 6 of the 13 stars have spectra showing a strong absorption band, peaking in strength at 5.6-5.7 μm, which for some is consistent with gaseous formaldehyde (H{sub 2}CO) and for others is consistent with gaseous formic acid (HCOOH). There are indications that some of these six stars may also have weak water vapor emission. Modeling of these stars' spectra suggests these gases are present in the inner few AU of their host disks, consistent with recent studies of infrared spectra showing gas in protoplanetary disks.

  1. A Materials-Based Mitigation Strategy for SU/SD in PEM Fuel Cells: Properties and Performance-Specific Testing of IrRu OER Catalysts.

    SciTech Connect (OSTI)

    Atanasoski, Radoslav; Cullen, David A; Vernstrom, George; Haugen, Gregory; Atanasoska, Liliana

    2013-01-01

    Catalysts that enable proton exchange membrane fuel cells to weather the damaging conditions experienced during transient periods of fuel starvation have been developed. The addition of minute amounts of iridium and ruthenium to the cathode enhances the oxygen evolution reaction (OER) during start-up/shutdown events, thus lowering the peak cell voltage closer to the onset of water oxidation. The catalyst loadings ranged from 1 to 10 g/cm2, but showed surprisingly high activity and durability. At such low loadings, it is possible to fully integrate the OER catalysts with negligible interference on fuel cell performance and a marginal increase in catalyst cost.

  2. Engineering Evaluation Cost Analysis for the Proposed Management of Contaminated Structures at the Weldon Spring Chemical Plant. IR-1200-1203-1.01.

    Office of Legacy Management (LM)

  3. Engineering Evaluation Cost Analysis for the Proposed Management of Contaminated Structures at the Weldon Spring Chemical Plant. (IR-1300-1303-1.01

    Office of Legacy Management (LM)

  4. Engineering Evaluation Costs Analysis (EE/CA) for the Proposed Management of Contaminated Structures at the Weldon Spring Chemical Plant. IR-700-703-1.02.

    Office of Legacy Management (LM)

  5. Engineering Evaluation/Cost Analysis for the Proposed Management of Contaminated Water in the Weldon Spring Quarry. IR-1500-1503-1.02.

    Office of Legacy Management (LM)

  6. Geological Cross-Section, Material Staging Area, Revision 0; (IR-1100-1104-1.04) DOE/OR/21548-030.

    Office of Legacy Management (LM)

  7. Cationic coordination compound Cs{sub 2}Hg{sub 3}I{sub 8} for IR NLO material: Synthesis, crystal growth and characterizations

    SciTech Connect (OSTI)

    Sathiskumar, S.; Kathiravan, P.; Balakrishnan, T.

    2015-06-24

    Single crystals Cs{sub 2}Hg{sub 3}I{sub 8} of dimensions 5 × 3 × 4   mm{sup 3} were grown by solution growth method at room temperature and structurally characterized by single crystal X – ray diffraction. Cs{sub 2}Hg{sub 3}I{sub 8} compound crystallizes in a noncentrosymmetric space group Cm with the crystal data of a = 7.4415 Å, b = 21.6629 Å, c = 7.6726 Å, α, β = 90°, γ = 108.05° and Z = 2. The grown crystals were characterized by powder X – ray diffraction analysis and the various diffraction planes are indexed. The presence of functional groups was identified qualitatively by Fourier transform infrared and FT – Raman spectral analyses. Ultraviolet – visible spectral analyses shows that the crystal has low UV cut off at 388 nm combined with very good transparency of 98 % in a wide range. The optical band gap was estimated to be 3 eV. Mechanical hardness of the grown crystal Cs{sub 2}Hg{sub 3}I{sub 8} was determined. The dielectric response of the crystal with varying frequencies was studied. Differential scanning calorimetry (DSC) analysis shows that the grown crystal has very good thermal stability up to 97.5°C.

  8. A=9N (1979AJ01)

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    79AJ01) (Not illustrated) Not observed: see (1974IR04, 1975BE31, 1976IR1B

  9. Mathematics, Pricing, Market Risk Management and Trading Strategies for Financial Derivatives (3/3)

    SciTech Connect (OSTI)

    2009-11-06

    IR and Long Term FX Derivatives - Stochastic Martingales for IR Curves - Implied Volatility Along the IR Curve - IR Libor Bonds - Vanilla IR Options: Caplets, Floorlets - Long Term FX Options: Interaction of Stochastic FX and Stochastic IR - $-Yen Bermudan Power Reverse Duals

  10. Mathematics, Pricing, Market Risk Management and Trading Strategies for Financial Derivatives (3/3)

    ScienceCinema (OSTI)

    None

    2011-10-06

    IR and Long Term FX Derivatives - Stochastic Martingales for IR Curves - Implied Volatility Along the IR Curve - IR Libor Bonds - Vanilla IR Options: Caplets, Floorlets - Long Term FX Options: Interaction of Stochastic FX and Stochastic IR - $-Yen Bermudan Power Reverse Duals

  11. Draft Environmental Assessment

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    ... DOE's own NEPA implementing regulations (10 CFR Part 1021) in pursuit of NEPA 7 compliance. ... AD-A208- 105 851, Fort Detrick, Frederick, Maryland. 106 USAMRMC (U.S. Army Medical ...

  12. DOE/EA-2026 Final Environmental Assessment

    Energy Savers [EERE]

    ... DOE's own NEPA implementing regulations (10 CFR Part 1021) in pursuit of NEPA compliance. ... AD-A208- 851, Fort Detrick, Frederick, Maryland. USAMRMC (U.S. Army Medical Research and ...

  13. Boise, Idaho: Energy Resources | Open Energy Information

    Open Energy Info (EERE)

    Hide Map This article is a stub. You can help OpenEI by expanding it. Boise is a city in Ada County, Idaho. It falls under Idaho's 1st congressional district and Idaho's...

  14. NNSA Field Office Manager Moves | National Nuclear Security Administra...

    National Nuclear Security Administration (NNSA)

    His outstanding record at OST, following a distinguished 25-year military career, has prepared him to take on this larger role for NNSA. Kerry Clark will be the Acting ADA until a ...

  15. Celebrating the Anniversary of the Americans with Disabilities Act

    Broader source: Energy.gov [DOE]

    This day in history - in 1990 to be exact - the Americans with Disabilities Act (ADA) was signed into law. This civil rights legislation helps ensure that all citizens, regardless of disability,...

  16. EA-1763: Finding of No Significant Impact | Department of Energy

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    City of Boise, Ada County, Idaho The Department of Energy and Department of Housing and Urban Development are proposing to provide Federal funding to the City of Boise for the...

  17. NSTX-U Advances in Real-time C++11 on Linux | Princeton Plasma...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    NSTX-U Advances in Real-time C++11 on Linux Programming languages like C and Ada combined ... The new C++11 standard includes native, language-level support for concurrency, a ...

  18. CX-009216: Categorical Exclusion Determination

    Broader source: Energy.gov [DOE]

    ADAS System Life Cycle Support, 2012-2015 CX(s) Applied: B1.7 Date: 10/02/2012 Location(s): CX: none Offices(s): Strategic Petroleum Reserve Field Office

  19. CX-011382: Categorical Exclusion Determination | Department of Energy

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    382: Categorical Exclusion Determination CX-011382: Categorical Exclusion Determination University of California Berkeley--Developing Metal-Organic Frameworks as Adsorbents for Industrial Carbon Capture Application CX(s) Applied: B3.6 Date: 08/23/2013 Location(s): California, Colorado, California Offices(s): Advanced Research Projects Agency-Energy The University of California, Berkeley, in conjunction with Electric Power Research Institute and ADA-ES, will conduct small-scale research and

  20. Microstructural evaluation of Sb-adjusted Al{sub 0.5}Ga{sub 0.5}As{sub 1{minus}y}Sb{sub y} buffer layer systems for IR applications

    SciTech Connect (OSTI)

    Chen, E.; Paine, D.C.; Uppal, P.; Ahearn, J.S.; Nichols, K.; Charache, G.W.

    1998-06-01

    The authors report on a transmission electron microscopy (TEM) study of Sb-adjusted quaternary Al{sub 0.5}Ga{sub 0.5}As{sub 1{minus}y}Sb{sub y} buffer-layers grown on <001> GaAs substrates. A series of structures were grown by MBE at 470 C that utilize a multilayer grading scheme in which the Sb content of Al{sub 0.5}Ga{sub 0.5}As{sub 1{minus}y}Sb{sub y} buffer-layers grown on <001> GaAs substrates. A series of structures were grown by MBe at 470 C that utilize a multilayer grading scheme in which the Sb content of Al{sub 0.5}Ga{sub 0.5}As{sub 1{minus}y}Sb{sub y} is successively increased in a series of 125 nm thick layers. Post growth analysis using conventional bright field and weak beam dark field imaging of these buffer layers in cross-section reveals that the interface misfit dislocations are primarily of the 60{degree} type and are distributed through out the interfaces of the buffer layer. When optimized, the authors have shown, using plan view and cross-sectional TEM, that this approach can reduce the threading defect density to below the detectability limit of TEM (< 10{sup 5}/cm{sup 2}) and preserve growth surface planarity. The Sb-graded approach was used to fabricate two 2.2 {micro}m power converter structures fabricated using InGaAs grown on Sb-based buffer layers on GaAs substrates. A microstructural and electrical characterization was performed on these device structures and the results are contrasted with a sample in which InP was selected as the substrate. Microstructure, defect density and device performance in these not-yet-optimized Sb-based buffer layers compares favorably to equivalent devices fabricated using InP substrates.

  1. Development of an IR-transparent, inverted-grown, thin-film, Al[sub 0. 34]Ga[sub 0. 66]As/GaAs cascade solar cell

    SciTech Connect (OSTI)

    Venkatasubramanian, R.; Timmons, M.L.; Sharps, P.R.; Colpitts, T.S.; Hills, J.S.; Hancock, J.; Hutchby, J.A. )

    1992-12-01

    Inverted growth and the development of associated cell processing, are likely to offer a significant degree of freedom for improving the performance of many III-V multijunction cascades and open new avenues for advanced multijunction concepts. This is especially true for the development of high-efficiency Al[sub 0.37]Ga[sub 0.63]As/GaAs cascades where the high growth temperatures required for the AlGaAs top cell growth can cause the deterioration of the tunnel junction interconnect. In the approach of inverted-grown AlGaAs/GaAs cascade cells, the AlGaAs top cell is grown first at 780 [degree]C and the GaAs tunnel junction and bottom cell are grown at 675 [degree]C. After the inverted growth, the AlGaAs/GaAs cascade structure is selectively removed from the parent substrate. The feasibility of inverted growth is demonstrated by a fully-processed, inverted-grown, thin film GaAs cell with a 1-sun AM1.5 efficiency of 20.3%. Also, an inverted-grown, thin-film, Al[sub 0.34]Ga[sub 0.66]As/GaAs cascade with AM1.5 efficiencies of 19.9% and 21% at 1-sun and 7-suns, respectively, has been obtained.

  2. Rigorous theory of molecular orientational nonlinear optics

    SciTech Connect (OSTI)

    Kwak, Chong Hoon Kim, Gun Yeup

    2015-01-15

    Classical statistical mechanics of the molecular optics theory proposed by Buckingham [A. D. Buckingham and J. A. Pople, Proc. Phys. Soc. A 68, 905 (1955)] has been extended to describe the field induced molecular orientational polarization effects on nonlinear optics. In this paper, we present the generalized molecular orientational nonlinear optical processes (MONLO) through the calculation of the classical orientational averaging using the Boltzmann type time-averaged orientational interaction energy in the randomly oriented molecular system under the influence of applied electric fields. The focal points of the calculation are (1) the derivation of rigorous tensorial components of the effective molecular hyperpolarizabilities, (2) the molecular orientational polarizations and the electronic polarizations including the well-known third-order dc polarization, dc electric field induced Kerr effect (dc Kerr effect), optical Kerr effect (OKE), dc electric field induced second harmonic generation (EFISH), degenerate four wave mixing (DFWM) and third harmonic generation (THG). We also present some of the new predictive MONLO processes. For second-order MONLO, second-order optical rectification (SOR), Pockels effect and difference frequency generation (DFG) are described in terms of the anisotropic coefficients of first hyperpolarizability. And, for third-order MONLO, third-order optical rectification (TOR), dc electric field induced difference frequency generation (EFIDFG) and pump-probe transmission are presented.

  3. FIELD TEST PROGRAM TO DEVELOP COMPREHENSIVE DESIGN, OPERATING, AND COST DATA FOR MERCURY CONTROL SYSTEMS

    SciTech Connect (OSTI)

    Michael D. Durham

    2003-05-01

    With the Nation's coal-burning utilities facing the possibility of tighter controls on mercury pollutants, the U.S. Department of Energy is funding projects that could offer power plant operators better ways to reduce these emissions at much lower costs. Mercury is known to have toxic effects on the nervous system of humans and wildlife. Although it exists only in trace amounts in coal, mercury is released when coal burns and can accumulate on land and in water. In water, bacteria transform the metal into methylmercury, the most hazardous form of the metal. Methylmercury can collect in fish and marine mammals in concentrations hundreds of thousands times higher than the levels in surrounding waters. One of the goals of DOE is to develop technologies by 2005 that will be capable of cutting mercury emissions 50 to 70 percent at well under one-half of today's costs. ADA Environmental Solutions (ADA-ES) is managing a project to test mercury control technologies at full scale at four different power plants from 2000--2003. The ADA-ES project is focused on those power plants that are not equipped with wet flue gas desulfurization systems. ADA-ES has developed a portable system that will be tested at four different utility power plants. Each of the plants is equipped with either electrostatic precipitators or fabric filters to remove solid particles from the plant's flue gas. ADA-ES's technology will inject a dry sorbent, such as activated carbon, which removes the mercury and makes it more susceptible to capture by the particulate control devices. A fine water mist may be sprayed into the flue gas to cool its temperature to the range where the dry sorbent is most effective. PG&E National Energy Group is providing two test sites that fire bituminous coals and both are equipped with electrostatic precipitators and carbon/ash separation systems. Wisconsin Electric Power Company is providing a third test site that burns Powder River Basin (PRB) coal and has an electrostatic

  4. Directory

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    IRS Subfolders in "CAES IRS" Go Up 1 Level Go Up 1 Level Up Folder Imaging Suite Documents in "CAES IRS" (1 - 20 of 24) View items: 21 to 24 >> Document Name Sort items in...

  5. Portland HQ Letterhead

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    SU-16 Equipment technology and office automation IR-15 Equipment types IR-15 Equipment, electronic communications IR-16 Equipment, excess SU-14-15 Equipment, generation RP-21-23...

  6. Search for: All records | SciTech Connect

    Office of Scientific and Technical Information (OSTI)

    ... (IR) lights and the cross-correlation between an IR and an ultraviolet (UV) light using a single nonlinear optical crystal has been designed and experimentally demonstrated. ...

  7. Search for: All records | SciTech Connect

    Office of Scientific and Technical Information (OSTI)

    ... and infrared (IR) molecular torus are considered in the context of an external Compton process. We find that modeling with IR seed photons is systematically better than that ...

  8. ADVANCED FLUE GAS CONDITIONING AS A RETROFIT UPGRADE TO ENHANCE PM COLLECTION FROM COAL-FIRED ELECTRIC UTILITY BOILERS

    SciTech Connect (OSTI)

    C. Jean Bustard

    2003-12-01

    ADA Environmental Solutions (ADA-ES) has successfully completed a research and development program granted by the Department of Energy National Energy Technology Laboratory (NETL) to develop a family of non-toxic flue gas conditioning agents to provide utilities and industries with a cost-effective means of complying with environmental regulations on particulate emissions and opacity. An extensive laboratory screening of potential additives was completed followed by full-scale trials at four utility power plants. The developed cohesivity additives have been demonstrated on a 175 MW utility boiler that exhibited poor collection of unburned carbon in the electrostatic precipitator. With cohesivity conditioning, opacity spiking caused by rapping reentrainment was reduced and total particulate emissions were reduced by more than 30%. Ammonia conditioning was also successful in reducing reentrainment on the same unit. Conditioned fly ash from the process is expected to be suitable for dry or wet disposal and for concrete admixture.

  9. Review guidelines for software languages for use in nuclear power plant safety systems: Final report. Revision 1

    SciTech Connect (OSTI)

    Hecht, M.; Decker, D.; Graff, S.; Green, W.; Lin, D.; Dinsmore, G.; Koch, S.

    1997-10-01

    Guidelines for the programming and auditing of software written in high level languages for safety systems are presented. The guidelines are derived from a framework of issues significant to software safety which was gathered from relevant standards and research literature. Language-specific adaptations of these guidelines are provided for the following high level languages: Ada83 and Ada95; C and C++; International Electrochemical Commission (IEC) Standard 1131-3 Ladder Logic, Sequential Function Charts, Structured Text, and Function Block Diagrams; Pascal; and PL/M. Appendices to the report include a tabular summary of the guidelines and additional information on selected languages.

  10. Office of Information Resources

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    20c81-2a97-4e60-80e5-4177d22c7916 202-234-4433 Neal R. Gross and Co., Inc. Page 1 UNITED STATES DEPARTMENT OF ENERGY + + + + + TRANSCRIPT OF THE NATIONAL COAL COUNCIL MEETING + + + + + Thursday, May 1, 2008 + + + + + Hilton St. Louis 1 South Broadway St. Louis, Missouri + + + + + ATTENDEES ROBERT A. BECK National Coal Council FREDRICK D. PALMER Senior VP Government Relations Peabody Energy MIKE MILLER AmerenUE HOLLY KRUTKA, PhD Research Scientist ADA-ES JANET GELLICI, CAE CEO, American Coal

  11. Topical Report 5: Sorbent Performance Report

    SciTech Connect (OSTI)

    Krutka, Holly; Sjostrom, Sharon

    2011-05-31

    ADA-ES has completed an extensive sorbent screening program funded primarily through DOE NETL cooperative agreement DE-NT0005649 with support from EPRI and industry cost-share participants. Tests were completed on simulated and actual flue gas. The overall project objective is to address the viability and accelerate development of a solid-based postcombustion CO2 capture technology that can be retrofit to the existing fleet of coal-fired power plants. An important component of the viability assessment was to evaluate the state of development of sorbents and measure key performance characteristics under realistic operating conditions.

  12. CX-014287: Categorical Exclusion Determination | Department of Energy

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    7: Categorical Exclusion Determination CX-014287: Categorical Exclusion Determination ADAS Life Cycle Management Services, 2015-2020 CX(s) Applied: B1.7 Date: 09/25/2015 Location(s): Texas Offices(s): Strategic Petroleum Reserve Field Office Subcontractor shall provide annual life cycle management services for the alarm display and annunciation system (ADAS) security systems used at the SPR sites from 2015-20. Document(s) Available for Download CX-014287.pdf (11.33 KB) More Documents &

  13. A=10N (1979AJ01)

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    79AJ01) (Not illustrated) Not observed: see (1974IR04, 1975BE3

  14. A=10O (1979AJ01)

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    79AJ01) (Not illustrated) Not observeed: see (1974IR04, 1975BE3

  15. A=11F (1975AJ02)

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    75AJ02) (Not illustrated) This nucleus has not been observed: see (1974IR04

  16. A=11He (1975AJ02)

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    75AJ02) (Not illustrated) This nucleus has not been observed: see (1974IR04

  17. A=12F (1975AJ02)

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    75AJ02) (Not illustrated) This nucleus has not been observed: see (1974IR04

  18. Licensing Agreement Moves Two NETL-Patented Carbon Capture Sorbents Closer to Commercialization

    Office of Energy Efficiency and Renewable Energy (EERE)

    Two new patented sorbents used for carbon dioxide capture from coal-based power plants have moved closer to commercialization as a result of a licensing agreement between the Office of Fossil Energy's National Energy Technology Laboratory and ADA Environmental Solutions.

  19. NETL-Developed Carbon Capture Technology Recognized with an R&D 100 Award

    Office of Energy Efficiency and Renewable Energy (EERE)

    A novel carbon capture technology developed by researchers at the Department of Energy’s National Energy Technology Laboratory and ADA Environmental Solutions has been recognized by R&D Magazine as among the 100 most technologically significant products introduced into commercial marketplace within the past year.

  20. ANALYSIS OF 3-D URBAN DATABASES WITH RESPECT TO POLLUTION DISPERSION FOR A NUMBER OF EUROPEAN AND AMERICAN CITIES

    SciTech Connect (OSTI)

    C. RATTI; ET AL

    2001-03-01

    Models to estimate pollution dispersion and wind flow in cities (both at the city-scale and above) require a parametrical description of the urban canopy. For instance, two key parameters are the aerodynamic roughness length z{sub 0} and the zero-plane displacement height z{sub d}, which are related, amongst others, to the surface drag coefficient, the scale and intensity of turbulence, the depth of the roughness sub-layer and the wind speed profile. The calculation of z{sub 0} and z{sub d}, however, is not straightforward. The classical way to estimate them in open terrain is based on the measurement of wind profile data from a tall mast or, less accurately, on the inference from published roughness values for similar terrain elsewhere (Davenport, 1960; Davenport et al., 2000). Both methods, however, are very difficult to apply to cities, due to the considerable height where wind measurements should be taken (well above the urban canopy) and to the irregularities of urban texture. A promising alternative that has become available in recent years, due to increasing computing resources and the availability of high-resolution 3-D databases in urban areas, is based on the calculation of z{sub 0} and z{sub d} from the analysis and measure of the city geometry (urban morphometry). This method is reviewed for instance in Grimmond and Oke (1999), where values are calculated using different formulas and then compared with the results of field measurements. Urban morphometry opens up a new range of parameters that can easily be calculated in urban areas and used as input for meso-scale and urban dispersion models. This paper reviews a number of them and shows how they could be calculated from urban Digital Elevation Models (DEM) using image-processing techniques. It builds up on the recent work by Ratti et al. 2000, extending the number of case studies cities: London, Toulouse, Berlin, Salt Lake City and Los Angeles.