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Sample records for nuclear core spectroscopy

  1. Classification of iron-sulfur cores in ferredoxins by 1H nuclear magnetic resonance spectroscopy.

    PubMed

    Nagayama, K; Ozaki, Y; Kyogoku, Y; Hase, T; Matsubara, H

    1983-09-01

    A 1H nuclear magnetic resonance (NMR) study was carried out on various ferredoxins which possess one of three types of iron-sulfur clusters, (2Fe-2S), (3Fe-3S), or (4Fe-4S). In the isolated form, (2Fe-2S) ferredoxins from spinach (Spinacea oleracia), pokeweed (Phytolacca americana), a blue-green alga (Spirulina platensis), and a halobacterium (Halobacterium halobium) exhibited two broad resonances common in chemical shift at the region downfield of 10 ppm. In their reduced forms, seven contact-shifted resonances appeared spread over 30 ppm. Although the positions of the contact-shifted resonances in the reduced state differed among the four, a common trend in the temperature dependence of their resonance positions was recognized. Two (4Fe-4S) ferredoxins from Bacillus stearothermophilus and Bacillus thermoproteolyticus exhibited almost indistinguishable spectral patterns in both the oxidized and reduced forms. The ferricyanide-treated ferredoxins of B. stearothermophilus and B. thermoproteolyticus showed characteristic contact-shifted resonances distinct from the spectra of the original (4Fe-4S) ferredoxins. This corresponds to the recent finding of the interconversion of (4Fe-4S) and (3Fe-3S) clusters with ferricyanide in the ferredoxin. Based on our data together with reported NMR data on other ferredoxins, contact-shift resonances of three types of clusters were tabulated. The reliability of NMR classification increases when we compare the NMR spectra of a ferredoxin with the classification standards at the two redox states. Moreover, not only the absolute values of the chemical shifts of contact-shifted resonances but also their temperature dependence give distinctive information applicable to iron core identification. PMID:6417123

  2. Nuclear core positioning system

    DOEpatents

    Garkisch, Hans D.; Yant, Howard W.; Patterson, John F.

    1979-01-01

    A structural support system for the core of a nuclear reactor which achieves relatively restricted clearances at operating conditions and yet allows sufficient clearance between fuel assemblies at refueling temperatures. Axially displaced spacer pads having variable between pad spacing and a temperature compensated radial restraint system are utilized to maintain clearances between the fuel elements. The core support plates are constructed of metals specially chosen such that differential thermal expansion produces positive restraint at operating temperatures.

  3. NUCLEAR REACTOR CORE DESIGN

    DOEpatents

    Mahlmeister, J.E.; Peck, W.S.; Haberer, W.V.; Williams, A.C.

    1960-03-22

    An improved core design for a sodium-cooled, graphitemoderated nuclear reactor is described. The improved reactor core comprises a number of blocks of moderator material, each block being in the shape of a regular prism. A number of channels, extending the length of each block, are disposed around the periphery. When several blocks are placed in contact to form the reactor core, the channels in adjacent blocks correspond with each other to form closed conduits extending the length of the core. Fuel element clusters are disposed in these closed conduits, and liquid coolant is forced through the annulus between the fuel cluster and the inner surface of the conduit. In a preferred embodiment of the invention, the moderator blocks are in the form of hexagonal prisms with longitudinal channels cut into the corners of the hexagon. The main advantage of an "edge-loaded" moderator block is that fewer thermal neutrons are absorbed by the moderator cladding, as compared with a conventional centrally loaded moderator block.

  4. Uranium droplet core nuclear rocket

    NASA Technical Reports Server (NTRS)

    Anghaie, Samim

    1991-01-01

    Uranium droplet nuclear rocket is conceptually designed to utilize the broad temperature range ofthe liquid phase of metallic uranium in droplet configuration which maximizes the energy transfer area per unit fuel volume. In a baseline system dissociated hydrogen at 100 bar is heated to 6000 K, providing 2000 second of Isp. Fission fragments and intense radian field enhance the dissociation of molecular hydrogen beyond the equilibrium thermodynamic level. Uranium droplets in the core are confined and separated by an axisymmetric vortex flow generated by high velocity tangential injection of hydrogen in the mid-core regions. Droplet uranium flow to the core is controlled and adjusted by a twin flow nozzle injection system.

  5. Droplet Core Nuclear Rocket (DCNR)

    NASA Technical Reports Server (NTRS)

    Anghaie, Samim

    1991-01-01

    The most basic design feature of the droplet core nuclear reactor is to spray liquid uranium into the core in the form of droplets on the order of five to ten microns in size, to bring the reactor to critical conditions. The liquid uranium fuel ejector is driven by hydrogen, and more hydrogen is injected from the side of the reactor to about one and a half meters from the top. High temperature hydrogen is expanded through a nozzle to produce thrust. The hydrogen pressure in the system can be somewhere between 50 and 500 atmospheres; the higher pressure is more desirable. In the lower core region, hydrogen is tangentially injected to serve two purposes: (1) to provide a swirling flow to protect the wall from impingement of hot uranium droplets: (2) to generate a vortex flow that can be used for fuel separation. The reactor is designed to maximize the energy generation in the upper region of the core. The system can result in and Isp of 2000 per second, and a thrust-to-weight ratio of 1.6 for the shielded reactor. The nuclear engine system can reduce the Mars mission duration to less than 200 days. It can reduce the hydrogen consumption by a factor of 2 to 3, which reduces the hydrogen load by about 130 to 150 metric tons.

  6. High-spin nuclear spectroscopy

    SciTech Connect

    Diamond, R.M.

    1986-07-01

    High-spin spectroscopy is the study of the changes in nuclear structure, properties, and behavior with increasing angular momentum. It involves the complex interplay between collective and single-particle motion, between shape and deformation changes, particle alignments, and changes in the pairing correlations. A review of progress in theory, experimentation, and instrumentation in this field is given. (DWL)

  7. Nuclear core and fuel assemblies

    DOEpatents

    Downs, Robert E.

    1981-01-01

    A fast flux nuclear core of a plurality of rodded, open-lattice assemblies having a rod pattern rotated relative to a rod support structure pattern. Elongated fuel rods are oriented on a triangular array and laterally supported by grid structures positioned along the length of the assembly. Initial inter-assembly contact is through strongbacks at the corners of the support pattern and peripheral fuel rods between adjacent assemblies are nested so as to maintain a triangular pitch across a clearance gap between the other portions of adjacent assemblies. The rod pattern is rotated relative to the strongback support pattern by an angle .alpha. equal to sin .sup.-1 (p/2c), where p is the intra-assembly rod pitch and c is the center-to-center spacing among adjacent assemblies.

  8. Nuclear gas core propulsion research program

    NASA Technical Reports Server (NTRS)

    Diaz, Nils J.; Dugan, Edward T.; Anghaie, Samim

    1993-01-01

    Viewgraphs on the nuclear gas core propulsion research program are presented. The objectives of this research are to develop models and experiments, systems, and fuel elements for advanced nuclear thermal propulsion rockets. The fuel elements under investigation are suitable for gas/vapor and multiphase fuel reactors. Topics covered include advanced nuclear propulsion studies, nuclear vapor thermal rocket (NVTR) studies, and ultrahigh temperature nuclear fuels and materials studies.

  9. Laser techniques for spectroscopy of core-excited atomic levels

    NASA Technical Reports Server (NTRS)

    Harris, S. E.; Young, J. F.; Falcone, R. W.; Rothenberg, J. E.; Willison, J. R.

    1982-01-01

    We discuss three techniques which allow the use of tunable lasers for high resolution and picosecond time scale spectroscopy of core-excited atomic levels. These are: anti-Stokes absorption spectroscopy, laser induced emission from metastable levels, and laser designation of selected core-excited levels.

  10. Magnetic nuclear core restraint and control

    DOEpatents

    Cooper, Martin H.

    1978-01-01

    A lateral restraint and control system for a nuclear reactor core adaptable to provide an inherent decrease of core reactivity in response to abnormally high reactor coolant fluid temperatures. An electromagnet is associated with structure for radially compressing the core during normal reactor conditions. A portion of the structures forming a magnetic circuit are composed of ferromagnetic material having a curie temperature corresponding to a selected coolant fluid temperature. Upon a selected signal, or inherently upon a preselected rise in coolant temperature, the magnetic force is decreased a given amount sufficient to relieve the compression force so as to allow core radial expansion. The expanded core configuration provides a decreased reactivity, tending to shut down the nuclear reaction.

  11. Magnetic nuclear core restraint and control

    DOEpatents

    Cooper, Martin H.

    1979-01-01

    A lateral restraint and control system for a nuclear reactor core adaptable to provide an inherent decrease of core reactivity in response to abnormally high reactor coolant fluid temperatures. An electromagnet is associated with structure for radially compressing the core during normal reactor conditions. A portion of the structures forming a magnetic circuit are composed of ferromagnetic material having a curie temperature corresponding to a selected coolant fluid temperature. Upon a selected signal, or inherently upon a preselected rise in coolant temperature, the magnetic force is decreased a given amount sufficient to relieve the compression force so as to allow core radial expansion. The expanded core configuration provides a decreased reactivity, tending to shut down the nuclear reaction.

  12. Neural networks for nuclear spectroscopy

    SciTech Connect

    Keller, P.E.; Kangas, L.J.; Hashem, S.; Kouzes, R.T.

    1995-12-31

    In this paper two applications of artificial neural networks (ANNs) in nuclear spectroscopy analysis are discussed. In the first application, an ANN assigns quality coefficients to alpha particle energy spectra. These spectra are used to detect plutonium contamination in the work environment. The quality coefficients represent the levels of spectral degradation caused by miscalibration and foreign matter affecting the instruments. A set of spectra was labeled with quality coefficients by an expert and used to train the ANN expert system. Our investigation shows that the expert knowledge of spectral quality can be transferred to an ANN system. The second application combines a portable gamma-ray spectrometer with an ANN. In this system the ANN is used to automatically identify, radioactive isotopes in real-time from their gamma-ray spectra. Two neural network paradigms are examined: the linear perception and the optimal linear associative memory (OLAM). A comparison of the two paradigms shows that OLAM is superior to linear perception for this application. Both networks have a linear response and are useful in determining the composition of an unknown sample when the spectrum of the unknown is a linear superposition of known spectra. One feature of this technique is that it uses the whole spectrum in the identification process instead of only the individual photo-peaks. For this reason, it is potentially more useful for processing data from lower resolution gamma-ray spectrometers. This approach has been tested with data generated by Monte Carlo simulations and with field data from sodium iodide and Germanium detectors. With the ANN approach, the intense computation takes place during the training process. Once the network is trained, normal operation consists of propagating the data through the network, which results in rapid identification of samples. This approach is useful in situations that require fast response where precise quantification is less important.

  13. Apparatus for controlling nuclear core debris

    DOEpatents

    Jones, Robert D.

    1978-01-01

    Nuclear reactor apparatus for containing, cooling, and dispersing reactor debris assumed to flow from the core area in the unlikely event of an accident causing core meltdown. The apparatus includes a plurality of horizontally disposed vertically spaced plates, having depressions to contain debris in controlled amounts, and a plurality of holes therein which provide natural circulation cooling and a path for debris to continue flowing downward to the plate beneath. The uppermost plates may also include generally vertical sections which form annular-like flow areas which assist the natural circulation cooling.

  14. Nuclear-spectroscopy problems studied with neutrons

    SciTech Connect

    Raman, S.

    1982-01-01

    Nuclear spectroscopy with neutrons continues to have a major impact on the progress of nuclear science. Neutrons, being uncharged, are particularly useful for the study of low energy reactions. Recent advances in time-of-flight spectroscopy, as well as in the gamma ray spectroscopy following neutron capture, have permitted precision studies of unbound and bound nuclear levels and related phenomena. By going to new energy domains, by using polarized beams and targets, through the invention of new kinds of detectors, and through the general improvement in beam quantity and quality, new features of nuclear structure and reactions have been obtained that are not ony interesting per se but are also grist for old and new theory mills. The above technical advances have opened up new opportunities for further discoveries.

  15. Gas Core Nuclear Rocket Feasibility Project

    NASA Technical Reports Server (NTRS)

    Howe, S. D.; DeVolder, B.; Thode, L.; Zerkle, D.

    1997-01-01

    The next giant leap for mankind will be the human exploration of Mars. Almost certainly within the next thirty years, a human crew will brave the isolation, the radiation, and the lack of gravity to walk on and explore the Red planet. However, because the mission distances and duration will be hundreds of times greater than the lunar missions, a human crew will face much greater obstacles and a higher risk than those experienced during the Apollo program. A single solution to many of these obstacles is to dramatically decrease the mission duration by developing a high performance propulsion system. The gas core nuclear rocket (GCNR) has the potential to be such a system. The gas core concept relies on the use of fluid dynamic forces to create and maintain a vortex. The vortex is composed of a fissile material which will achieve criticality and produce high power levels. By radiatively coupling to the surrounding fluids, extremely high temperatures in the propellant and, thus, high specific impulses can be generated. The ship velocities enabled by such performance may allow a 9 month round trip, manned Mars mission to be considered. Alternatively, one might consider slightly longer missions in ships that are heavily shielded against the intense Galactic Cosmic Ray flux to further reduce the radiation dose to the crew. The current status of the research program at the Los Alamos National Laboratory into the gas core nuclear rocket feasibility will be discussed.

  16. Gas core nuclear rocket feasibility project

    SciTech Connect

    Howe, S.D.; DeVolder, B.; Thode, L.; Zerkle, D.

    1997-09-01

    The next giant leap for mankind will be the human exploration of Mars. Almost certainly within the next thirty years, a human crew will brave the isolation, the radiation, and the lack of gravity to walk on and explore the Red planet. However, because the mission distances and duration will be hundreds of times greater than the lunar missions, a human crew will face much greater obstacles and a higher risk than those experienced during the Apollo program. A single solution to many of these obstacles is to dramatically decrease the mission duration by developing a high performance propulsion system. The gas core nuclear rocket (GCNR) has the potential to be such a system. The gas core concept relies on the use of fluid dynamic forces to create and maintain a vortex. The vortex is composed of a fissile material which will achieve criticality and produce high power levels. By radiatively coupling to the surrounding fluids, extremely high temperatures in the propellant and, thus, high specific impulses can be generated. The ship velocities enabled by such performance may allow a 9 month round trip, manned Mars mission to be considered. Alternatively, one might consider slightly longer missions in ships that are heavily shielded against the intense Galactic Cosmic Ray flux to further reduce the radiation dose to the crew. The current status of the research program at the Los Alamos National Laboratory into the gas core nuclear rocket feasibility will be discussed.

  17. Hot cell remote nuclear scanning of tank core samples

    SciTech Connect

    Beck, M.A.; Blewett, G.R.; Troyer, G.L.; Keele, B.D.; Addleman, R.S.

    1995-11-01

    A Westinghouse Hanford Company (WHC)-designed remote measurement system has been constructed for gamma and beta isotopic characterization of Hanford Site high-level waste tank core sample materials in a hot cell. A small, collimated, planar CdZnTe detector is used for gamma-ray spectroscopy. Spectral resolution of 2% full-width-at-maximum at 662 kiloelectronvolts (keV) has been obtained remotely using risetime compensation and limited pulse shape discrimination (PSD). Isotopic measurement of high-energy beta emitters was accomplished with a ruggedly made, deeply depleted, surface barrier silicon detector. The primary function of the remote nuclear screening system is to provide a fast, qualitative stratigraphic assessment (with isotopic information) of high-level radioactive material. Both gamma spectroscopy and beta measurements have been performed on actual core segments. Differences in radionuclide content, which correspond with color or texture variations, have been seen in constant cross section core samples, although for many samples the activity variation can be ascribed to geometry and/or mass factors. Discussion of the design, implementation, results and potential benefits will be presented.

  18. Open cycle gas core nuclear rockets

    NASA Technical Reports Server (NTRS)

    Ragsdale, Robert

    1991-01-01

    The open cycle gas core engine is a nuclear propulsion device. Propulsion is provided by hot hydrogen which is heated directly by thermal radiation from the nuclear fuel. Critical mass is sustained in the uranium plasma in the center. It has typically 30 to 50 kg of fuel. It is a thermal reactor in the sense that fissions are caused by absorption of thermal neutrons. The fast neutrons go out to an external moderator/reflector material and, by collision, slow down to thermal energy levels, and then come back in and cause fission. The hydrogen propellant is stored in a tank. The advantage of the concept is very high specific impulse because you can take the plasma to any temperature desired by increasing the fission level by withdrawing or turning control rods or control drums.

  19. Laser spectroscopy for nuclear structure physics

    NASA Astrophysics Data System (ADS)

    Campbell, P.; Moore, I. D.; Pearson, M. R.

    2016-01-01

    High-resolution laser spectroscopy is an established powerful tool in the study of nuclear shape, size and multipole moments. Measurements of the hyperfine structures and isotope shifts in the atomic spectra of radioactive nuclei provide unique insight into the evolution of the nuclear macroscopic shape and microscopic structure. These measurements can be made with high precision and high sensitivity and applied directly on-line at radioactive nuclear beam facilities. Recent measurements, advances at facilities and the future direction of the field are reviewed. A summary of experimental data is presented.

  20. CAC - NUCLEAR THERMAL ROCKET CORE ANALYSIS CODE

    NASA Technical Reports Server (NTRS)

    Clark, J. S.

    1994-01-01

    One of the most important factors in the development of nuclear rocket engine designs is to be able to accurately predict temperatures and pressures throughout a fission nuclear reactor core with axial hydrogen flow through circular coolant passages. CAC is an analytical prediction program to study the heat transfer and fluid flow characteristics of a circular coolant passage. CAC predicts as a function of time axial and radial fluid conditions, passage wall temperatures, flow rates in each coolant passage, and approximate maximum material temperatures. CAC incorporates the hydrogen properties model STATE to provide fluid-state relations, thermodynamic properties, and transport properties of molecular hydrogen in any fixed ortho-para combination. The program requires the general core geometry, the core material properties as a function of temperature, the core power profile, and the core inlet conditions as function of time. Although CAC was originally developed in FORTRAN IV for use on an IBM 7094, this version is written in ANSI standard FORTRAN 77 and is designed to be machine independent. It has been successfully compiled on IBM PC series and compatible computers running MS-DOS with Lahey F77L, a Sun4 series computer running SunOS 4.1.1, and a VAX series computer running VMS 5.4-3. CAC requires 300K of RAM under MS-DOS, 422K of RAM under SunOS, and 220K of RAM under VMS. No sample executable is provided on the distribution medium. Sample input and output data are included. The standard distribution medium for this program is a 5.25 inch 360K MS-DOS format diskette. CAC was developed in 1966, and this machine independent version was released in 1992. IBM-PC and IBM are registered trademarks of International Business Machines. Lahey F77L is a registered trademark of Lahey Computer Systems, Inc. SunOS is a trademark of Sun Microsystems, Inc. VMS is a trademark of Digital Equipment Corporation. MS-DOS is a registered trademark of Microsoft Corporation.

  1. The Diversity of Nuclear Magnetic Resonance Spectroscopy

    NASA Astrophysics Data System (ADS)

    Liu, Corey W.; Alekseyev, Viktor Y.; Allwardt, Jeffrey R.; Bankovich, Alexander J.; Cade-Menun, Barbara J.; Davis, Ronald W.; Du, Lin-Shu; Garcia, K. Christopher; Herschlag, Daniel; Khosla, Chaitan; Kraut, Daniel A.; Li, Qing; Null, Brian; Puglisi, Joseph D.; Sigala, Paul A.; Stebbins, Jonathan F.; Varani, Luca

    The discovery of the physical phenomenon of Nuclear Magnetic Resonance (NMR) in 1946 gave rise to the spectroscopic technique that has become a remarkably versatile research tool. One could oversimplify NMR spectros-copy by categorizing it into the two broad applications of structure elucidation of molecules (associated with chemistry and biology) and imaging (associated with medicine). But, this certainly does not do NMR spectroscopy justice in demonstrating its general acceptance and utilization across the sciences. This manuscript is not an effort to present an exhaustive, or even partial review of NMR spectroscopy applications, but rather to provide a glimpse at the wide-ranging uses of NMR spectroscopy found within the confines of a single magnetic resonance research facility, the Stanford Magnetic Resonance Laboratory. Included here are summaries of projects involving protein structure determination, mapping of intermolecular interactions, exploring fundamental biological mechanisms, following compound cycling in the environmental, analysis of synthetic solid compounds, and microimaging of a model organism.

  2. Quantum Monte Carlo for the Spectroscopy of Core Excited States

    NASA Astrophysics Data System (ADS)

    Zubarev, Dmitry

    2012-02-01

    X-ray absorption spectroscopy is a powerful experimental tool that is capable of delivering valuable information about very delicate aspects of electronic structure and reveals details of the local chemical environment in many systems of fundamental and applied importance. The rigorous interpretation of core-level spectra requires very accurate quantum chemical simulations. The trade-off between feasibility of treatment of large systems and consistency in description of electron correlation tremendously hinders the generation of accurate theoretical results for many experimental studies. We show that the fixed-node diffusion Monte Carlo (FN-DMC) approach can be used straightforwardly for the accurate simulation of core-level spectra. Basic methodological aspects are addressed, including the strategy for the construction of adequate trial wave functions. Examples of FN-DMC calculations of core-level spectra of water and pyrrole are presented. The possibility of the simulation of X-ray absorption spectra of solvent-solute systems is discussed.

  3. Covariance Spectroscopy Applied to Nuclear Radiation Detection

    SciTech Connect

    Trainham, R., Tinsley, J., Keegan, R., Quam, W.

    2011-09-01

    Covariance spectroscopy is a method of processing second order moments of data to obtain information that is usually absent from average spectra. In nuclear radiation detection it represents a generalization of nuclear coincidence techniques. Correlations and fluctuations in data encode valuable information about radiation sources, transport media, and detection systems. Gaining access to the extra information can help to untangle complicated spectra, uncover overlapping peaks, accelerate source identification, and even sense directionality. Correlations existing at the source level are particularly valuable since many radioactive isotopes emit correlated gammas and neutrons. Correlations also arise from interactions within detector systems, and from scattering in the environment. In particular, correlations from Compton scattering and pair production within a detector array can be usefully exploited in scenarios where direct measurement of source correlations would be unfeasible. We present a covariance analysis of a few experimental data sets to illustrate the utility of the concept.

  4. Positron Annihilation Spectroscopy Study of Barnett Shale Core

    NASA Astrophysics Data System (ADS)

    Ameena, Fnu; Alsleben, Helge; Quarles, Carroll A.

    Measurements are reported of positron annihilation lifetime and Doppler broadening parameters on 14 samples of Barnett shale core selected from 196 samples ranging from depths of 6107 to 6402 feet. The Barnett shale core was taken from EOG well Two-O-Five 2H located in Johnson county TX. The selected samples are dark clay-rich mudstone consisting of fine-grained clay minerals. The samples are varied in shape, typically a few inches long and about 1/2 inch in width and thickness, and are representative of the predominant facies in the core. X-ray fluorescence (XRF), X-ray diffraction (XRD), petrographic analysis and geochemical analysis of total organic carbon (TOC) were already available for each of the selected samples. The lifetime data are analyzed in terms of three lifetime components with the shortest lifetime fixed at 125 ps. The second lifetime is attributed to positron annihilation in the bulk and positron trapping; and the third lifetime is due to positronium. Correlations of the lifetimes, intensities, the average lifetime and S and W parameters with TOC, XRF and XRD parameters are discussed. The observed correlations suggest that positron spectroscopy may be a useful tool in characterizing shale.

  5. Spectroscopy of Rb atoms in hollow-core fibers

    SciTech Connect

    Slepkov, Aaron D.; Bhagwat, Amar R.; Venkataraman, Vivek; Londero, Pablo; Gaeta, Alexander L.

    2010-05-15

    Recent demonstrations of light-matter interactions with atoms and molecules confined to hollow waveguides offer great promise for ultralow-light-level applications. The use of waveguides allows for tight optical confinement over interaction lengths much greater than what could be achieved in bulk geometries. However, the combination of strong atom-photon interactions and nonuniformity of guided light modes gives rise to spectroscopic features that must be understood in order to take full advantage of the properties of such systems. We use light-induced atomic desorption to generate an optically dense Rb vapor at room temperature inside a hollow-core photonic band-gap fiber. Saturable-absorption spectroscopy and passive slow-light experiments reveal large ac Stark shifts, power broadening, and transit-time broadening, that are present in this system even at nanowatt powers.

  6. Evolution of nuclear spectroscopy at Saha Institute of Nuclear Physics

    NASA Astrophysics Data System (ADS)

    Mukherjee, P.

    2001-07-01

    Experimental studies of nuclear excitations have been an important subject from the earliest days when the institute was established. The construction of 4 MeV proton cyclotron was mainly aimed to achieve this goal. Early experiments in nuclear spectroscopy were done with radioactive nuclei with the help of beta and gamma ray spectrometers. Small NaI(Tl) detectors were used for gamma--gamma coincidence, angular correlation and life time measurements. The excited states nuclear magnetic moments were measured in perturbed gamma--gamma angular correlation experiments. A high transmission magnetic beta ray spectrometer was used to measure internal conversion coefficients and beta--gamma coincidence studies. A large number of significant contributions were made during 1950--59 using these facilities. Proton beam in the cyclotron was made available in the late 1950's and together with 14 MeV neutrons obtained from a C-W generator a large number of short-lived nuclei were investigated during 1960's and 1970's. The introduction of high resolution Ge gamma detectors and the improved electronics helped to extend the spectroscopic work which include on-line (p,p'g) and (p,n g) reaction studies. Nuclear spectroscopic studies entered a new phase in the 1980's with the availability of 40--80 MeV alpha beam from the variable energy cyclotron at VECC, Calcutta. A number of experimental groups were formed in the institute to study nuclear level schemes with (a,xn g) reactions. Initially only two unsuppressed Ge detectors were used for coincidence studies. Later in 1989 five Ge detectors with a large six segmented NaI(Tl) multiplicity-sum detector system were successfully used to select various channels in (a ,xn g) reactions. From 1990 to date a variety of medium energy heavy ions were made available from the BARC-TIFR Pelletron and the Nuclear Science Centre Pelletron. The state of the art gamma detector arrays in these centres enabled the Saha Institute groups to undertake more

  7. Solid0Core Heat-Pipe Nuclear Batterly Type Reactor

    SciTech Connect

    Ehud Greenspan

    2008-09-30

    This project was devoted to a preliminary assessment of the feasibility of designing an Encapsulated Nuclear Heat Source (ENHS) reactor to have a solid core from which heat is removed by liquid-metal heat pipes (HP).

  8. The Impact of Nuclear Physics During Stellar Core Collapse

    SciTech Connect

    Hix, William Raphael; Baird, Mark L; Lentz, Eric J; Messer, Bronson; Mezzacappa, Anthony

    2008-01-01

    Nuclear electron capture and the nuclear equation of state play important roles during the collapse of a massive star and the subsequent supernova. The nuclear equation of state controls the nature of the bounce which initially forms the supernova shock while electron capture determines the location where the shock forms. Advances in nuclear structure theory have allowed a more realistic treatment of electron capture on heavy nuclei to be developed. We will review how this improvement has led to a change in our understanding of stellar core collapse, with electron capture on nuclei with masses larger than 50 found to dominate electron capture on free protons, resulting is significant changes in the hydrodynamics of core collapse and bounce. We will also demonstrate the impact of a variety of nuclear equations of state on supernova shock propagation. Of particular note is the interplay between the nuclear composition determined by the equation of state and nuclear electron capture.

  9. Nuclear spectroscopy above isomers in {sub 67}{sup 148}Ho{sub 81} and {sub 67}{sup 149}Ho{sub 82} nuclei: Search for core-excited states in {sup 149}Ho

    SciTech Connect

    Kownacki, J.; Napiorkowski, P. J.; Zielinska, M.; Kordyasz, A.; Srebrny, J.; Droste, Ch.; Morek, T.; Grodner, E.; Ruchowska, E.; Korman, A.; Czarnacki, W.; Kisielinski, M.; Kowalczyk, M.; Wrzosek-Lipska, K.; Hadynska-KlePk, K.; Mierzejewski, J.; Lieder, R. M.; Perkowski, J.; Andrzejewski, J.; Krol, A.

    2010-04-15

    The excited states of {sup 148}Ho and {sup 149}Ho isotopes are studied using gamma-ray and electron spectroscopy in off-beam and in-beam modes following {sup 112,114}Sn({sup 40}Ar,xnyp) reactions. Experiments include measurements of single gamma-rays and conversion electron spectra as well as gamma-gamma, electron-gamma, gamma-t, and gamma-gamma-t coincidences with the use of the OSIRIS-II 12-HPGe array and conversion electron spectrometer. Based on the present results, the level schemes of {sup 148}Ho and {sup 149}Ho are revised and significantly extended, up to about 4 and 5 MeV of excitation energy, respectively. Spin and parity of 5{sup -} are assigned to the 9.59-s isomer in {sup 148}Ho based on conversion electron results. Previously unobserved gamma rays feeding the 10{sup +} isomer in {sup 148}Ho and the 27/2{sup -} isomer in {sup 149}Ho nuclei are proposed. Shell-model calculations are performed. Possible core-excited states in {sup 149}Ho are discussed.

  10. NAIS: Nuclear activation-based imaging spectroscopy

    SciTech Connect

    Günther, M. M.; Britz, A.; Harres, K.; Hoffmeister, G.; Nürnberg, F.; Otten, A.; Pelka, A.; Roth, M.; Clarke, R. J.; Vogt, K.

    2013-07-15

    In recent years, the development of high power laser systems led to focussed intensities of more than 10{sup 22} W/cm{sup 2} at high pulse energies. Furthermore, both, the advanced high power lasers and the development of sophisticated laser particle acceleration mechanisms facilitate the generation of high energetic particle beams at high fluxes. The challenge of imaging detector systems is to acquire the properties of the high flux beam spatially and spectrally resolved. The limitations of most detector systems are saturation effects. These conventional detectors are based on scintillators, semiconductors, or radiation sensitive films. We present a nuclear activation-based imaging spectroscopy method, which is called NAIS, for the characterization of laser accelerated proton beams. The offline detector system is a combination of stacked metal foils and imaging plates (IP). After the irradiation of the stacked foils they become activated by nuclear reactions, emitting gamma decay radiation. In the next step, an autoradiography of the activated foils using IPs and an analysis routine lead to a spectrally and spatially resolved beam profile. In addition, we present an absolute calibration method for IPs.

  11. Nuclear waste disposal utilizing a gaseous core reactor

    NASA Technical Reports Server (NTRS)

    Paternoster, R. R.

    1975-01-01

    The feasibility of a gaseous core nuclear reactor designed to produce power to also reduce the national inventories of long-lived reactor waste products through nuclear transmutation was examined. Neutron-induced transmutation of radioactive wastes is shown to be an effective means of shortening the apparent half life.

  12. MOX fuel arrangement for nuclear core

    DOEpatents

    Kantrowitz, M.L.; Rosenstein, R.G.

    1998-10-13

    In order to use up a stockpile of weapons-grade plutonium, the plutonium is converted into a mixed oxide (MOX) fuel form wherein it can be disposed in a plurality of different fuel assembly types. Depending on the equilibrium cycle that is required, a predetermined number of one or more of the fuel assembly types are selected and arranged in the core of the reactor in accordance with a selected loading schedule. Each of the fuel assemblies is designed to produce different combustion characteristics whereby the appropriate selection and disposition in the core enables the resulting equilibrium cycle to closely resemble that which is produced using urania fuel. The arrangement of the MOX rods and burnable absorber rods within each of the fuel assemblies, in combination with a selective control of the amount of plutonium which is contained in each of the MOX rods, is used to tailor the combustion characteristics of the assembly. 38 figs.

  13. Mox fuel arrangement for nuclear core

    DOEpatents

    Kantrowitz, Mark L.; Rosenstein, Richard G.

    2001-05-15

    In order to use up a stockpile of weapons-grade plutonium, the plutonium is converted into a mixed oxide (MOX) fuel form wherein it can be disposed in a plurality of different fuel assembly types. Depending on the equilibrium cycle that is required, a predetermined number of one or more of the fuel assembly types are selected and arranged in the core of the reactor in accordance with a selected loading schedule. Each of the fuel assemblies is designed to produce different combustion characteristics whereby the appropriate selection and disposition in the core enables the resulting equilibrium cycle to closely resemble that which is produced using urania fuel. The arrangement of the MOX rods and burnable absorber rods within each of the fuel assemblies, in combination with a selective control of the amount of plutonium which is contained in each of the MOX rods, is used to tailor the combustion. characteristics of the assembly.

  14. MOX fuel arrangement for nuclear core

    DOEpatents

    Kantrowitz, Mark L.; Rosenstein, Richard G.

    1998-01-01

    In order to use up a stockpile of weapons-grade plutonium, the plutonium is converted into a mixed oxide (MOX) fuel form wherein it can be disposed in a plurality of different fuel assembly types. Depending on the equilibrium cycle that is required, a predetermined number of one or more of the fuel assembly types are selected and arranged in the core of the reactor in accordance with a selected loading schedule. Each of the fuel assemblies is designed to produce different combustion characteristics whereby the appropriate selection and disposition in the core enables the resulting equilibrium cycle to closely resemble that which is produced using urania fuel. The arrangement of the MOX rods and burnable absorber rods within each of the fuel assemblies, in combination with a selective control of the amount of plutonium which is contained in each of the MOX rods, is used to tailor the combustion characteristics of the assembly.

  15. MOX fuel arrangement for nuclear core

    DOEpatents

    Kantrowitz, Mark L.; Rosenstein, Richard G.

    2001-07-17

    In order to use up a stockpile of weapons-grade plutonium, the plutonium is converted into a mixed oxide (MOX) fuel form wherein it can be disposed in a plurality of different fuel assembly types. Depending on the equilibrium cycle that is required, a predetermined number of one or more of the fuel assembly types are selected and arranged in the core of the reactor in accordance with a selected loading schedule. Each of the fuel assemblies is designed to produce different combustion characteristics whereby the appropriate selection and disposition in the core enables the resulting equilibrium cycle to closely resemble that which is produced using urania fuel. The arrangement of the MOX rods and burnable absorber rods within each of the fuel assemblies, in combination with a selective control of the amount of plutonium which is contained in each of the MOX rods, is used to tailor the combustion characteristics of the assembly.

  16. Flexible Stoichiometry and Asymmetry of the PIDDosome Core Complex by Heteronuclear NMR Spectroscopy and Mass Spectrometry

    PubMed Central

    Nematollahi, Lily A.; Garza-Garcia, Acely; Bechara, Chérine; Esposito, Diego; Morgner, Nina; Robinson, Carol V.; Driscoll, Paul C.

    2015-01-01

    Homotypic death domain (DD)–DD interactions are important in the assembly of oligomeric signaling complexes such as the PIDDosome that acts as a platform for activation of caspase-2-dependent apoptotic signaling. The structure of the PIDDosome core complex exhibits an asymmetric three-layered arrangement containing five PIDD-DDs in one layer, five RAIDD-DDs in a second layer and an additional two RAIDD-DDs. We addressed complex formation between PIDD-DD and RAIDD-DD in solution using heteronuclear nuclear magnetic resonance (NMR) spectroscopy, nanoflow electrospray ionization mass spectrometry and size-exclusion chromatography with multi-angle light scattering. The DDs assemble into complexes displaying molecular masses in the range 130–158 kDa and RAIDD-DD:PIDD-DD stoichiometries of 5:5, 6:5 and 7:5. These data suggest that the crystal structure is representative of only the heaviest species in solution and that two RAIDD-DDs are loosely attached to the 5:5 core. Two-dimensional 1H,15N-NMR experiments exhibited signal loss upon complexation consistent with the formation of high-molecular-weight species. 13C-Methyl-transverse relaxation optimized spectroscopy measurements of the PIDDosome core exhibit signs of differential line broadening, cross-peak splitting and chemical shift heterogeneity that reflect the presence of non-equivalent sites at interfaces within an asymmetric complex. Experiments using a mutant RAIDD-DD that forms a monodisperse 5:5 complex with PIDD-DD show that the spectroscopic signature derives from the quasi- but non-exact equivalent environments of each DD. Since this characteristic was previously demonstrated for the complex between the DDs of CD95 and FADD, the NMR data for this system are consistent with the formation of a structure homologous to the PIDDosome core. PMID:25528640

  17. Flexible stoichiometry and asymmetry of the PIDDosome core complex by heteronuclear NMR spectroscopy and mass spectrometry.

    PubMed

    Nematollahi, Lily A; Garza-Garcia, Acely; Bechara, Chérine; Esposito, Diego; Morgner, Nina; Robinson, Carol V; Driscoll, Paul C

    2015-02-27

    Homotypic death domain (DD)-DD interactions are important in the assembly of oligomeric signaling complexes such as the PIDDosome that acts as a platform for activation of caspase-2-dependent apoptotic signaling. The structure of the PIDDosome core complex exhibits an asymmetric three-layered arrangement containing five PIDD-DDs in one layer, five RAIDD-DDs in a second layer and an additional two RAIDD-DDs. We addressed complex formation between PIDD-DD and RAIDD-DD in solution using heteronuclear nuclear magnetic resonance (NMR) spectroscopy, nanoflow electrospray ionization mass spectrometry and size-exclusion chromatography with multi-angle light scattering. The DDs assemble into complexes displaying molecular masses in the range 130-158kDa and RAIDD-DD:PIDD-DD stoichiometries of 5:5, 6:5 and 7:5. These data suggest that the crystal structure is representative of only the heaviest species in solution and that two RAIDD-DDs are loosely attached to the 5:5 core. Two-dimensional (1)H,(15)N-NMR experiments exhibited signal loss upon complexation consistent with the formation of high-molecular-weight species. (13)C-Methyl-transverse relaxation optimized spectroscopy measurements of the PIDDosome core exhibit signs of differential line broadening, cross-peak splitting and chemical shift heterogeneity that reflect the presence of non-equivalent sites at interfaces within an asymmetric complex. Experiments using a mutant RAIDD-DD that forms a monodisperse 5:5 complex with PIDD-DD show that the spectroscopic signature derives from the quasi- but non-exact equivalent environments of each DD. Since this characteristic was previously demonstrated for the complex between the DDs of CD95 and FADD, the NMR data for this system are consistent with the formation of a structure homologous to the PIDDosome core. PMID:25528640

  18. Nuclear Physics in Core-Collapse Supernovae

    SciTech Connect

    Liebendoerfer, Matthias; Fischer, T.; Froelich, C.; Hix, William Raphael; Langanke, Karlheinz; Martinez-Pinedo, Gabriel; Mezzacappa, Anthony; Scheidegger, Simon; Thielemann, Friedrich-Karl W.; Whitehouse, Stuart

    2008-01-01

    Core-collapse and the launch of a supernova explosion form a very short episode of few seconds in the evolution of a massive star, during which an enormous gravitational energy of several times 1053 erg is transformed into observable neutrino-, kinetic-, and electromagnetic radiation energy. We emphasize the wide range of matter conditions that prevail in a supernova event and sort the conditions into distinct regimes in the density and entropy phase diagram to briefly discuss their different impact on the neutrino signal, gravitational wave emission, and ejecta.

  19. Generating unstructured nuclear reactor core meshes in parallel

    SciTech Connect

    Jain, Rajeev; Tautges, Timothy J.

    2014-10-24

    Recent advances in supercomputers and parallel solver techniques have enabled users to run large simulations problems using millions of processors. Techniques for multiphysics nuclear reactor core simulations are under active development in several countries. Most of these techniques require large unstructured meshes that can be hard to generate in a standalone desktop computers because of high memory requirements, limited processing power, and other complexities. We have previously reported on a hierarchical lattice-based approach for generating reactor core meshes. Here, we describe efforts to exploit coarse-grained parallelism during reactor assembly and reactor core mesh generation processes. We highlight several reactor core examples including a very high temperature reactor, a full-core model of the Korean MONJU reactor, a ¼ pressurized water reactor core, the fast reactor Experimental Breeder Reactor-II core with a XX09 assembly, and an advanced breeder test reactor core. The times required to generate large mesh models, along with speedups obtained from running these problems in parallel, are reported. A graphical user interface to the tools described here has also been developed.

  20. Fluorescence studies of cyanobacterial phycobiliproteins: I. Spectroscopy of allophycocyanin core complexes. II. Spectroscopy of two phycobilisome core insertion mutants

    SciTech Connect

    Maxson, P.

    1988-10-01

    The work described here relates to the mechanisms governing energy transfer in the core polypeptides of the cyanobacterial phycobilisome. Two approaches are represented: measurements were made on isolated core components for which a great deal of structural information is available; and the fluorescence properties were characterized for the whole phycobilisome from two phycobilisome core insertion mutants. 130 refs.

  1. Evaluating nuclear physics inputs in core-collapse supernova models

    SciTech Connect

    Lentz, Eric J; Hix, William Raphael; Baird, Mark L; Messer, Bronson; Mezzacappa, Anthony

    2010-01-01

    Core-collapse supernova models depend on the details of the nuclear and weak interaction physics inputs just as they depend on the details of the macroscopic physics (transport, hydrodynamics, etc.), numerical methods, and progenitors. We present the results of our ongoing comparison studies of nuclear and weak interaction physics inputs to core collapse supernova models using the spherically-symmetric, general relativistic, neutrino radiation hydrodynamics code Agile-Boltztran. We focus on comparisons of the effects of the nuclear EoS and the effects of improving the opacities, particularly neutrino--nucleon interactions. We present the results of our ongoing comparison studies of nuclear and weak interaction physics inputs to core collapse supernova models using the spherically-symmetric, general relativistic, neutrino radiation hydrodynamics code Agile-Boltztran. We focus on comparisons of the effects of the nuclear EoS and the effects of improving the opacities, particularly neutrino--nucleon interactions. We also investigate the feedback between different EoSs and opacities in the context of different progenitors.

  2. Thermal barrier and support for nuclear reactor fuel core

    DOEpatents

    Betts, Jr., William S.; Pickering, J. Larry; Black, William E.

    1987-01-01

    A thermal barrier/core support for the fuel core of a nuclear reactor having a metallic cylinder secured to the reactor vessel liner and surrounded by fibrous insulation material. A top cap is secured to the upper end of the metallic cylinder that locates and orients a cover block and post seat. Under normal operating conditions, the metallic cylinder supports the entire load exerted by its associated fuel core post. Disposed within the metallic cylinder is a column of ceramic material, the height of which is less than that of the metallic cylinder, and thus is not normally load bearing. In the event of a temperature excursion beyond the design limits of the metallic cylinder and resulting in deformation of the cylinder, the ceramic column will abut the top cap to support the fuel core post.

  3. Feasibility of Valence-to-Core X-ray Emission Spectroscopy for Tracking Transient Species

    PubMed Central

    2015-01-01

    X-ray spectroscopies, when combined in laser-pump, X-ray-probe measurement schemes, can be powerful tools for tracking the electronic and geometric structural changes that occur during the course of a photoinitiated chemical reaction. X-ray absorption spectroscopy (XAS) is considered an established technique for such measurements, and X-ray emission spectroscopy (XES) of the strongest core-to-core emission lines (Kα and Kβ) is now being utilized. Flux demanding valence-to-core XES promises to be an important addition to the time-resolved spectroscopic toolkit. In this paper we present measurements and density functional theory calculations on laser-excited, solution-phase ferrocyanide that demonstrate the feasibility of valence-to-core XES for time-resolved experiments. We discuss technical improvements that will make valence-to-core XES a practical pump–probe technique. PMID:26568779

  4. Generating unstructured nuclear reactor core meshes in parallel

    DOE PAGESBeta

    Jain, Rajeev; Tautges, Timothy J.

    2014-10-24

    Recent advances in supercomputers and parallel solver techniques have enabled users to run large simulations problems using millions of processors. Techniques for multiphysics nuclear reactor core simulations are under active development in several countries. Most of these techniques require large unstructured meshes that can be hard to generate in a standalone desktop computers because of high memory requirements, limited processing power, and other complexities. We have previously reported on a hierarchical lattice-based approach for generating reactor core meshes. Here, we describe efforts to exploit coarse-grained parallelism during reactor assembly and reactor core mesh generation processes. We highlight several reactor coremore » examples including a very high temperature reactor, a full-core model of the Korean MONJU reactor, a ¼ pressurized water reactor core, the fast reactor Experimental Breeder Reactor-II core with a XX09 assembly, and an advanced breeder test reactor core. The times required to generate large mesh models, along with speedups obtained from running these problems in parallel, are reported. A graphical user interface to the tools described here has also been developed.« less

  5. NMR clinical imaging and spectroscopy: Its impact on nuclear medicine

    SciTech Connect

    Not Available

    1990-02-02

    This is a collection of four papers describing aspects of past and future use of nuclear magnetic resonance as a clinical diagnostic tool. The four papers are entitled (1) What Does NMR Offer that Nuclear Medicine Does Not by Jerry W. Froelich, (2) Oncological Imaging: Now, Future and Impact Jerry W. Froelich, (3) Magnetic Resonance Spectroscopy/Spectroscopic Imaging and Nuclear Medicine: Past, Present and Future by H. Cecil Charles, and (4) MR Cardiology: Now, Future and Impact by Robert J. Herfkens.

  6. NMR clinical imaging and spectroscopy: Its impact on nuclear medicine

    SciTech Connect

    Not Available

    1990-02-02

    This is a collection of four papers describing aspects of past and future use of nuclear magnetic resonance as a clinical diagnostic tool. The four papers are entitled (1) What Does NMR Offer that Nuclear Medicine Does Not? by Jerry W. Froelich, (2) Oncological Imaging: Now, Future and Impact Jerry W. Froelich, (3) Magnetic Resonance Spectroscopy/Spectroscopic Imaging and Nuclear Medicine: Past, Present and Future by H. Cecil Charles, and (4) MR Cardiology: Now, Future and Impact by Robert J. Herfkens.

  7. Hollow core photonic crystal fiber based viscometer with Raman spectroscopy.

    PubMed

    Horan, L E; Ruth, A A; Gunning, F C Garcia

    2012-12-14

    The velocity of a liquid flowing through the core of a hollow core photonic crystal fiber (driven by capillary forces) is used for the determination of a liquid's viscosity, using volumes of less than 10 nl. The simple optical technique used is based on the change in propagation characteristics of the fiber as it fills with the liquid of interest via capillary action, monitored by a laser source. Furthermore, the liquid filled hollow core photonic crystal fiber is then used as a vessel to collect Raman scattering from the sample to determine the molecular fingerprint of the liquid under study. This approach has a wide variety of indicative uses in cases where nano-liter samples are necessary. We use 10-12 cm lengths of hollow core photonic crystal fibers to determine the viscosity and Raman spectra of small volumes of two types of monosaccharides diluted in a phosphate buffer solution to demonstrate the principle. The observed Raman signal is strongest when only the core of the hollow core photonic crystal fiber is filled, and gradually decays as the rest of the fiber fills with the sample. PMID:23249014

  8. Hollow core photonic crystal fiber based viscometer with Raman spectroscopy

    NASA Astrophysics Data System (ADS)

    Horan, L. E.; Ruth, A. A.; Garcia Gunning, F. C.

    2012-12-01

    The velocity of a liquid flowing through the core of a hollow core photonic crystal fiber (driven by capillary forces) is used for the determination of a liquid's viscosity, using volumes of less than 10 nl. The simple optical technique used is based on the change in propagation characteristics of the fiber as it fills with the liquid of interest via capillary action, monitored by a laser source. Furthermore, the liquid filled hollow core photonic crystal fiber is then used as a vessel to collect Raman scattering from the sample to determine the molecular fingerprint of the liquid under study. This approach has a wide variety of indicative uses in cases where nano-liter samples are necessary. We use 10-12 cm lengths of hollow core photonic crystal fibers to determine the viscosity and Raman spectra of small volumes of two types of monosaccharides diluted in a phosphate buffer solution to demonstrate the principle. The observed Raman signal is strongest when only the core of the hollow core photonic crystal fiber is filled, and gradually decays as the rest of the fiber fills with the sample.

  9. Spatially resolved Raman spectroscopy on indium-catalyzed core-shell germanium nanowires: size effects.

    PubMed

    Xiang, Y; Zardo, I; Cao, L Y; Garma, T; Heiss, M; Morante, J R; Arbiol, J; Brongersma, M L; Fontcuberta I Morral, A

    2010-03-12

    The structure of indium-catalyzed germanium nanowires is investigated by atomic force microscopy, scanning confocal Raman spectroscopy and transmission electron microscopy. The nanowires are formed by a crystalline core and an amorphous shell. We find that the diameter of the crystalline core varies along the nanowire, down to few nanometers. Phonon confinement effects are observed in the regions where the crystalline region is the thinnest. The results are consistent with the thermally insulating behavior of the core-shell nanowires. PMID:20154375

  10. Robustness of Nuclear Core Activity Reconstruction by Data Assimilation

    NASA Astrophysics Data System (ADS)

    Bouriquet, Bertrand; Argaud, Jean-Philippe; Erhard, Patrick; Massart, Sébastien; Ponçot, Angélique; Ricci, Sophie; Thual, Olivier

    Inspired from meteorological applications, data assimilation techniques can be used to perform an optimal reconstruction of the neutronic field in a nuclear reactor core. Measurements and simulation information, coming from a numerical model, are merged together to build a better estimation of the whole field. In this paper, we first study the robustness of the method when the amount of measured information varies. We then study the influence of the nature of the instruments and their spatial repartition on the efficiency of the field reconstruction. This study also highlights the instruments providing most information within a data assimilation procedure. The study of various network configurations of instruments in the nuclear core establishes that the influence of each instrument depends both on the individual instrumentation location as well as on the chosen network.

  11. Architecture of the symmetric core of the nuclear pore.

    PubMed

    Lin, Daniel H; Stuwe, Tobias; Schilbach, Sandra; Rundlet, Emily J; Perriches, Thibaud; Mobbs, George; Fan, Yanbin; Thierbach, Karsten; Huber, Ferdinand M; Collins, Leslie N; Davenport, Andrew M; Jeon, Young E; Hoelz, André

    2016-04-15

    The nuclear pore complex (NPC) controls the transport of macromolecules between the nucleus and cytoplasm, but its molecular architecture has thus far remained poorly defined. We biochemically reconstituted NPC core protomers and elucidated the underlying protein-protein interaction network. Flexible linker sequences, rather than interactions between the structured core scaffold nucleoporins, mediate the assembly of the inner ring complex and its attachment to the NPC coat. X-ray crystallographic analysis of these scaffold nucleoporins revealed the molecular details of their interactions with the flexible linker sequences and enabled construction of full-length atomic structures. By docking these structures into the cryoelectron tomographic reconstruction of the intact human NPC and validating their placement with our nucleoporin interactome, we built a composite structure of the NPC symmetric core that contains ~320,000 residues and accounts for ~56 megadaltons of the NPC's structured mass. Our approach provides a paradigm for the structure determination of similarly complex macromolecular assemblies. PMID:27081075

  12. Robustness of nuclear core activity reconstruction by data assimilation

    NASA Astrophysics Data System (ADS)

    Bouriquet, Bertrand; Argaud, Jean-Philippe; Erhard, Patrick; Massart, Sébastien; Ponçot, Angélique; Ricci, Sophie; Thual, Olivier

    2011-02-01

    We apply a data assimilation technique, inspired from meteorological applications, to perform an optimal reconstruction of the neutronic activity field in a nuclear core. Both measurements and information coming from a numerical model are used. We first study the robustness of the method when the amount of measured information decreases. We then study the influence of the nature of the instruments and their spatial repartition on the efficiency of the field reconstruction.

  13. Nuclear reactor spacer grid and ductless core component

    DOEpatents

    Christiansen, David W.; Karnesky, Richard A.

    1989-01-01

    The invention relates to a nuclear reactor spacer grid member for use in a liquid cooled nuclear reactor and to a ductless core component employing a plurality of these spacer grid members. The spacer grid member is of the egg-shell type and is constructed so that the walls of the cell members of the grid member are formed of a single thickness of metal to avoid tolerance problems. Within each cell member is a hydraulic spring which laterally constrains the nuclear material bearing rod which passes through each cell member against a hardstop in response to coolant flow through the cell member. This hydraulic spring is also suitable for use in a water cooled nuclear reactor. A core component constructed of, among other components, a plurality of these spacer grid members, avoids the use of a full length duct by providing spacer sleeves about the sodium tubes passing through the spacer grid members at locations between the grid members, thereby maintaining a predetermined space between adjacent grid members.

  14. Nuclear Physics the core of matter, the fuel of stars.

    SciTech Connect

    Schiffer, J. P.; Physics

    1999-01-01

    Dramatic progress has been made in all branches of physics since the National Research Council's 1986 decadal survey of the field. The Physics in a New Era series explores these advances and looks ahead to future goals. The series includes assessments of the major subfields and reports on several smaller subfields, and preparation has begun on an overview volume on the unity of physics, its relationships to other fields, and its contributions to national needs. Nuclear Physics is the latest volume of the series. The book describes current activity in understanding nuclear structure and symmetries, the behavior of matter at extreme densities, the role of nuclear physics in astrophysics and cosmology, and the instrumentation and facilities used by the field. It makes recommendations on the resources needed for experimental and theoretical advances in the coming decade. Nuclear physics addresses the nature of matter making up 99.9 percent of the mass of our everyday world. It explores the nuclear reactions that fuel the stars, including our Sun, which provides the energy for all life on Earth. The field of nuclear physics encompasses some 3,000 experimental and theoretical researchers who work at universities and national laboratories across the United States, as well as the experimental facilities and infrastructure that allow these researchers to address the outstanding scientific questions facing us. This report provides an overview of the frontiers of nuclear physics as we enter the next millennium, with special attention to the state of the science in the United States.The current frontiers of nuclear physics involve fundamental and rapidly evolving issues. One is understanding the structure and behavior of strongly interacting matter in terms of its basic constituents, quarks and gluons, over a wide range of conditions - from normal nuclear matter to the dense cores of neutron stars, and to the Big Bang that was the birth of the universe. Another is to describe

  15. Characterising legacy spent nuclear fuel pond materials using microfocus X-ray absorption spectroscopy.

    PubMed

    Bower, W R; Morris, K; Mosselmans, J F W; Thompson, O R; Banford, A W; Law, K; Pattrick, R A D

    2016-11-01

    Analysis of a radioactive, coated concrete core from the decommissioned, spent nuclear fuel cooling pond at the Hunterston-A nuclear site (UK) has provided a unique opportunity to study radionuclides within a real-world system. The core, obtained from a dividing wall and sampled at the fill level of the pond, exhibited radioactivity (dominantly (137)Cs and (90)Sr) heterogeneously distributed across both painted faces. Chemical analysis of the core was undertaken using microfocus spectroscopy at Diamond Light Source, UK. Mapping of Sr across the surface coatings using microfocus X-ray fluorescence (μXRF) combined with X-ray absorption spectroscopy showed that Sr was bound to TiO2 particles in the paint layers, suggesting an association between TiO2 and radiostrontium. Stable Sr and Cs sorption experiments using concrete coupons were also undertaken to assess their interactions with the bulk concrete in case of a breach in the coating layers. μXRF and scanning electron microscopy showed that Sr was immobilized by the cement phases, whilst at the elevated experimental concentrations, Cs was associated with clay minerals in the aggregates. This study provides a crucial insight into poorly understood infrastructural contamination in complex systems and is directly applicable to the UK's nuclear decommissioning efforts. PMID:27262277

  16. K-shell double core-hole spectroscopy in molecules

    NASA Astrophysics Data System (ADS)

    Piancastelli, M. N.

    2013-10-01

    A great deal of attention has been devoted in the last few years to photoionization processes in isolated molecules leading to the formation of double core-hole (DCH) states. There are two main experimental avenues to induce such processes, namely single-photon absorption followed by the simultaneous ejection of two core electrons, and x-ray-induced multiphoton processes leading to the production of DCH states via the sequential absorption of two soft x- ray photons on a time scale on the order of the molecular Auger lifetime (4-8 femtoseconds for light elements). The formation of molecular two-site (ts) DCH states, in particular, shows great potential as a powerful tool for chemical analysis. A compelling motivation for the study of ts-DCH states is their ability to probe the local chemical environment more sensitively than either single core-hole (SCH) or single-site (ss) DCH states. The enhanced sensitivity originates from the fact that the double ionization potential (DIP) of ts-DCH states is directly coupled to induced changes in the valence charge distribution at the two different atomic sites. Here a review of the recent literature is presented on both types of experiments, and on the related theoretical work.

  17. Probing vibrational anisotropy with nuclear resonance vibrational spectroscopy.

    SciTech Connect

    Pavlik, J. W.; Barabanschikov, A.; Oliver, A. G.; Alp, E. E.; Sturhahn, W.; Zhao, J.; Sage, J. T.; Scheidt, W. R.

    2010-06-14

    A NRVS single-crystal study (NRVS=nuclear resonance vibrational spectroscopy) has provided detailed information on the in-plane modes of nitrosyl iron porphyrinate [Fe(oep)(NO)] (see picture; oep=octaethylporphyrin). The axial nitrosyl ligand controls the direction of the in-plane iron motion.

  18. SPECTRW: A software package for nuclear and atomic spectroscopy

    NASA Astrophysics Data System (ADS)

    Kalfas, C. A.; Axiotis, M.; Tsabaris, C.

    2016-09-01

    A software package to be used in nuclear and atomic spectroscopy is presented. Apart from analyzing γ and X-ray spectra, it offers many additional features such as de-convolution of multiple photopeaks, sample analysis and activity determination, detection system evaluation and an embedded code for spectra simulation.

  19. Using Nuclear Magnetic Resonance Spectroscopy for Measuring Ternary Phase Diagrams

    ERIC Educational Resources Information Center

    Woodworth, Jennifer K.; Terrance, Jacob C.; Hoffmann, Markus M.

    2006-01-01

    A laboratory experiment is presented for the upper-level undergraduate physical chemistry curriculum in which the ternary phase diagram of water, 1-propanol and n-heptane is measured using proton nuclear magnetic resonance (NMR) spectroscopy. The experiment builds upon basic concepts of NMR spectral analysis, typically taught in the undergraduate…

  20. Two level scheme solvers for nuclear spectroscopy

    NASA Astrophysics Data System (ADS)

    Jansson, Kaj; DiJulio, Douglas; Cederkäll, Joakim

    2011-10-01

    A program for building level schemes from γ-spectroscopy coincidence data has been developed. The scheme builder was equipped with two different algorithms: a statistical one based on the Metropolis method and a more logical one, called REMP (REcurse, Merge and Permute), developed from scratch. These two methods are compared both on ideal cases and on experimental γ-ray data sets. The REMP algorithm is based on coincidences and transition energies. Using correct and complete coincidence data, it has solved approximately half a million schemes without failures. Also, for incomplete data and data with minor errors, the algorithm produces consistent sub-schemes when it is not possible to obtain a complete scheme from the provided data.

  1. Measurements of nuclear spin dynamics by spin-noise spectroscopy

    SciTech Connect

    Ryzhov, I. I.; Poltavtsev, S. V.; Kozlov, G. G.; Zapasskii, V. S.; Kavokin, K. V.; Glazov, M. M.; Vladimirova, M.; Scalbert, D.; Cronenberger, S.; Lemaître, A.; Bloch, J.

    2015-06-15

    We exploit the potential of the spin noise spectroscopy (SNS) for studies of nuclear spin dynamics in n-GaAs. The SNS experiments were performed on bulk n-type GaAs layers embedded into a high-finesse microcavity at negative detuning. In our experiments, nuclear spin polarisation initially prepared by optical pumping is monitored in real time via a shift of the peak position in the electron spin noise spectrum. We demonstrate that this shift is a direct measure of the Overhauser field acting on the electron spin. The dynamics of nuclear spin is shown to be strongly dependent on the electron concentration.

  2. Support arrangements for core modules of nuclear reactors. [PWR

    DOEpatents

    Bollinger, L.R.

    1983-11-03

    A support arrangement is provided for the core modules of a nuclear reactor which provides support access through the control drive mechanisms of the reactor. This arrangement provides axial support of individual reactor core modules from the pressure vessel head in a manner which permits attachment and detachment of the modules from the head to be accomplished through the control drive mechanisms after their leadscrews have been removed. The arrangement includes a module support nut which is suspended from the pressure vessel head and screw threaded to the shroud housing for the module. A spline lock prevents loosening of the screw connection. An installation tool assembly, including a cell lifting and preloading tool and a torquing tool, fits through the control drive mechanism and provides lifting of the shroud housing while disconnecting the spline lock, as well as application of torque to the module support nut.

  3. Support arrangement for core modules of nuclear reactors

    DOEpatents

    Bollinger, Lawrence R.

    1987-01-01

    A support arrangement is provided for the core modules of a nuclear reactor which provides support access through the control drive mechanisms of the reactor. This arrangement provides axial support of individual reactor core modules from the pressure vessel head in a manner which permits attachment and detachment of the modules from the head to be accomplished through the control drive mechanisms after their leadscrews have been removed. The arrangement includes a module support nut which is suspended from the pressure vessel head and screw threaded to the shroud housing for the module. A spline lock prevents loosening of the screw connection. An installation tool assembly, including a cell lifting and preloading tool and a torquing tool, fits through the control drive mechanism and provides lifting of the shroud housing while disconnecting the spline lock, as well as application of torque to the module support nut.

  4. Laser cutting apparatus for nuclear core fuel subassembly

    DOEpatents

    Walch, Allan P.; Caruolo, Antonio B.

    1982-02-23

    The object of the invention is to provide a system and apparatus which employs laser cutting to disassemble a nuclear core fuel subassembly. The apparatus includes a gantry frame (C) which straddles the core fuel subassembly (14), an x-carriage (22) travelling longitudinally above the frame which carries a focus head assembly (D) having a vertically moving carriage (46) and a laterally moving carriage (52), a system of laser beam transferring and focusing mirrors carried by the x-carriage and focusing head assembly, and a shroud follower (F) and longitudinal follower (G) for following the shape of shroud (14) to maintain a beam focal point (44) fixed upon the shroud surface for accurate cutting.

  5. National Nuclear Security Administration Knowledge Base Core Table Schema Document

    SciTech Connect

    CARR,DORTHE B.

    2002-09-01

    The National Nuclear Security Administration is creating a Knowledge Base to store technical information to support the United States nuclear explosion monitoring mission. This document defines the core database tables that are used in the Knowledge Base. The purpose of this document is to present the ORACLE database tables in the NNSA Knowledge Base that on modifications to the CSS3.0 Database Schema developed in 1990. (Anderson et al., 1990). These modifications include additional columns to the affiliation table, an increase in the internal ORACLE format from 8 integers to 9 integers for thirteen IDs, and new primary and unique key definitions for six tables. It is intended to be used as a reference by researchers inside and outside of NNSA/DOE as they compile information to submit to the NNSA Knowledge Base. These ''core'' tables are separated into two groups. The Primary tables are dynamic and consist of information that can be used in automatic and interactive processing (e.g. arrivals, locations). The Lookup tables change infrequently and are used for auxiliary information used by the processing. In general, the information stored in the core tables consists of: arrivals; events, origins, associations of arrivals; magnitude information; station information (networks, site descriptions, instrument responses); pointers to waveform data; and comments pertaining to the information. This document is divided into four sections, the first being this introduction. Section two defines the sixteen tables that make up the core tables of the NNSA Knowledge Base database. Both internal (ORACLE) and external formats for the attributes are defined, along with a short description of each attribute. In addition, the primary, unique and foreign keys are defined. Section three of the document shows the relationships between the different tables by using entity-relationship diagrams. The last section, defines the columns or attributes of the various tables. Information that is

  6. Review of coaxial flow gas core nuclear rocket fluid mechanics

    NASA Technical Reports Server (NTRS)

    Weinstein, H.

    1976-01-01

    Almost all of the fluid mechanics research associated with the coaxial flow gas core reactor ended abruptly with the interruption of NASA's space nuclear program because of policy and budgetary considerations in 1973. An overview of program accomplishments is presented through a review of the experiments conducted and the analyses performed. Areas are indicated where additional research is required for a fuller understanding of cavity flow and of the factors which influence cold and hot flow containment. A bibliography is included with graphic material.

  7. Piezoelectric material for use in a nuclear reactor core

    NASA Astrophysics Data System (ADS)

    Parks, D. A.; Reinhardt, Brian; Tittmann, B. R.

    2012-05-01

    In radiation environments ultrasonic nondestructive evaluation has great potential for improving reactor safety and furthering the understanding of radiation effects and materials. In both nuclear power plants and materials test reactors, elevated temperatures and high levels of radiation present challenges to ultrasonic NDE methodologies. The challenges are primarily due to the degradation of the ultrasonic sensors utilized. We present results from the operation of a ultrasonic piezoelectric transducer, composed of bulk single crystal AlN, in a nuclear reactor core for over 120 MWHrs. The transducer was coupled to an aluminum cylinder and operated in pulse echo mode throughout the irradiation. In addition to the pulse echo testing impedance data were obtained. Further, the piezoelectric coefficient d33 was measured prior to irradiation and found to be 5.5 pC/N which is unchanged from as-grown samples, and in fact higher than the measured d33 for many as-grown samples.

  8. Piezoelectric material for use in a nuclear reactor core

    SciTech Connect

    Parks, D. A.; Reinhardt, Brian; Tittmann, B. R.

    2012-05-17

    In radiation environments ultrasonic nondestructive evaluation has great potential for improving reactor safety and furthering the understanding of radiation effects and materials. In both nuclear power plants and materials test reactors, elevated temperatures and high levels of radiation present challenges to ultrasonic NDE methodologies. The challenges are primarily due to the degradation of the ultrasonic sensors utilized. We present results from the operation of a ultrasonic piezoelectric transducer, composed of bulk single crystal AlN, in a nuclear reactor core for over 120 MWHrs. The transducer was coupled to an aluminum cylinder and operated in pulse echo mode throughout the irradiation. In addition to the pulse echo testing impedance data were obtained. Further, the piezoelectric coefficient d{sub 33} was measured prior to irradiation and found to be 5.5 pC/N which is unchanged from as-grown samples, and in fact higher than the measured d{sub 33} for many as-grown samples.

  9. Nuclear factor Y regulates ancient budgerigar hepadnavirus core promoter activity.

    PubMed

    Shen, Zhongliang; Liu, Yanfeng; Luo, Mengjun; Wang, Wei; Liu, Jing; Liu, Wei; Pan, Shaokun; Xie, Youhua

    2016-09-16

    Endogenous viral elements (EVE) in animal genomes are the fossil records of ancient viruses and provide invaluable information on the origin and evolution of extant viruses. Extant hepadnaviruses include avihepadnaviruses of birds and orthohepadnaviruses of mammals. The core promoter (Cp) of hepadnaviruses is vital for viral gene expression and replication. We previously identified in the budgerigar genome two EVEs that contain the full-length genome of an ancient budgerigar hepadnavirus (eBHBV1 and eBHBV2). Here, we found eBHBV1 Cp and eBHBV2 Cp were active in several human and chicken cell lines. A region from nt -85 to -11 in eBHBV1 Cp was critical for the promoter activity. Bioinformatic analysis revealed a putative binding site of nuclear factor Y (NF-Y), a ubiquitous transcription factor, at nt -64 to -50 in eBHBV1 Cp. The NF-Y core binding site (ATTGG, nt -58 to -54) was essential for eBHBV1 Cp activity. The same results were obtained with eBHBV2 Cp and duck hepatitis B virus Cp. The subunit A of NF-Y (NF-YA) was recruited via the NF-Y core binding site to eBHBV1 Cp and upregulated the promoter activity. Finally, the NF-Y core binding site is conserved in the Cps of all the extant avihepadnaviruses but not of orthohepadnaviruses. Interestingly, a putative and functionally important NF-Y core binding site is located at nt -21 to -17 in the Cp of human hepatitis B virus. In conclusion, our findings have pinpointed an evolutionary conserved and functionally critical NF-Y binding element in the Cps of avihepadnaviruses. PMID:27501758

  10. Nuclear magnetic resonance spectroscopy with single spin sensitivity

    PubMed Central

    Müller, C.; Kong, X.; Cai, J.-M.; Melentijević, K.; Stacey, A.; Markham, M.; Twitchen, D.; Isoya, J.; Pezzagna, S.; Meijer, J.; Du, J. F.; Plenio, M. B.; Naydenov, B.; McGuinness, L. P.; Jelezko, F.

    2014-01-01

    Nuclear magnetic resonance spectroscopy and magnetic resonance imaging at the ultimate sensitivity limit of single molecules or single nuclear spins requires fundamentally new detection strategies. The strong coupling regime, when interaction between sensor and sample spins dominates all other interactions, is one such strategy. In this regime, classically forbidden detection of completely unpolarized nuclei is allowed, going beyond statistical fluctuations in magnetization. Here we realize strong coupling between an atomic (nitrogen–vacancy) sensor and sample nuclei to perform nuclear magnetic resonance on four 29Si spins. We exploit the field gradient created by the diamond atomic sensor, in concert with compressed sensing, to realize imaging protocols, enabling individual nuclei to be located with Angstrom precision. The achieved signal-to-noise ratio under ambient conditions allows single nuclear spin sensitivity to be achieved within seconds. PMID:25146503

  11. Nuclear magnetic resonance spectroscopy with single spin sensitivity.

    PubMed

    Müller, C; Kong, X; Cai, J-M; Melentijević, K; Stacey, A; Markham, M; Twitchen, D; Isoya, J; Pezzagna, S; Meijer, J; Du, J F; Plenio, M B; Naydenov, B; McGuinness, L P; Jelezko, F

    2014-01-01

    Nuclear magnetic resonance spectroscopy and magnetic resonance imaging at the ultimate sensitivity limit of single molecules or single nuclear spins requires fundamentally new detection strategies. The strong coupling regime, when interaction between sensor and sample spins dominates all other interactions, is one such strategy. In this regime, classically forbidden detection of completely unpolarized nuclei is allowed, going beyond statistical fluctuations in magnetization. Here we realize strong coupling between an atomic (nitrogen-vacancy) sensor and sample nuclei to perform nuclear magnetic resonance on four (29)Si spins. We exploit the field gradient created by the diamond atomic sensor, in concert with compressed sensing, to realize imaging protocols, enabling individual nuclei to be located with Angstrom precision. The achieved signal-to-noise ratio under ambient conditions allows single nuclear spin sensitivity to be achieved within seconds. PMID:25146503

  12. Theoretical predictions of the impact of nuclear dynamics and environment on core-level spectra of organic molecules

    NASA Astrophysics Data System (ADS)

    Prendergast, David; Schwartz, Craig; Uejio, Janel; Saykally, Richard

    2009-03-01

    Core-level spectroscopy provides an element-specific probe of local electronic structure and bonding, but linking details of atomic structure to measured spectra relies heavily on accurate theoretical interpretation. We present first principles simulations of the x-ray absorption of a range of organic molecules both in isolation and aqueous solvation, highlighting the spectral impact of internal nuclear motion as well as solvent interactions. Our approach uses density functional theory with explicit inclusion of the core-level excited state within a plane-wave supercell framework. Nuclear degrees of freedom are sampled using various molecular dynamics techniques. We indicate specific cases for molecules in their vibrational ground state at experimental conditions, where nuclear quantum effects must be included. Prepared by LBNL under Contract DE-AC02-05CH11231.

  13. Position-Sensitive Nuclear Spectroscopy with Pixel Detectors

    SciTech Connect

    Granja, Carlos; Vykydal, Zdenek; Jakubek, Jan; Pospisil, Stanislav

    2007-10-26

    State-of-the-art hybrid semiconductor pixel detectors such as Medipix2 are suitable for energy- and position-sensitive nuclear spectroscopy. In addition to excellent energy- and spatial-resolution, these devices can operate in spectroscopic, single-quantum counting and/or on-line tracking mode. A devoted compact USB-readout interface provides functionality and ease of operation. The compact and versatile Medipix2/USB radiation camera provides visualization, vacuum and room-temperature operation as a real-time portable active nuclear emulsion.

  14. Chemometric Analysis of Nuclear Magnetic Resonance Spectroscopy Data

    SciTech Connect

    ALAM,TODD M.; ALAM,M. KATHLEEN

    2000-07-20

    Chemometric analysis of nuclear magnetic resonance (NMR) spectroscopy has increased dramatically in recent years. A variety of different chemometric techniques have been applied to a wide range of problems in food, agricultural, medical, process and industrial systems. This article gives a brief review of chemometric analysis of NMR spectral data, including a summary of the types of mixtures and experiments analyzed with chemometric techniques. Common experimental problems encountered during the chemometric analysis of NMR data are also discussed.

  15. Spectroscopy of colloidal semiconductor core/shell nanoplatelets with high quantum yield.

    PubMed

    Tessier, M D; Mahler, B; Nadal, B; Heuclin, H; Pedetti, S; Dubertret, B

    2013-07-10

    Free standing two-dimensional materials appear as a novel class of structures. Recently, the first colloidal two-dimensional heterostructures have been synthesized. These core/shell nanoplatelets are the first step toward colloidal quantum wells. Here, we study in detail the spectroscopic properties of this novel generation of colloidal nanoparticles. We show that core/shell CdSe/CdZnS nanoplatelets with 80% quantum yield can be obtained. The emission time trace of single core/shell nanoplatelets exhibits reduced blinking compared to core nanoplatelets with a two level emission time trace. At cryogenic temperatures, these nanoplatelets have a quantum yield close to 100% and a stable emission time trace. A solution of core/shell nanoplatelets has emission spectra with a full width half-maximum close to 20 nm, a value much lower than corresponding spherical or rod-shaped heterostructures. Using single particle spectroscopy, we show that the broadening of the emission spectra upon the shell deposition is not due to dispersity between particles but is related to an intrinsic increased exciton-phonon coupling in the shell. We also demonstrate that optical spectroscopy is a relevant tool to investigate the presence of traps induced by shell deposition. The spectroscopic properties of the core/shell nanoplatelets presented here strongly suggest that this new generation of objects will be an interesting alternative to spherical or rod-shaped nanocrystals. PMID:23731211

  16. Nanoscale NMR spectroscopy and imaging of multiple nuclear species

    NASA Astrophysics Data System (ADS)

    Devience, Stephen J.; Pham, Linh M.; Lovchinsky, Igor; Sushkov, Alexander O.; Bar-Gill, Nir; Belthangady, Chinmay; Casola, Francesco; Corbett, Madeleine; Zhang, Huiliang; Lukin, Mikhail; Park, Hongkun; Yacoby, Amir; Walsworth, Ronald L.

    2015-02-01

    Nuclear magnetic resonance (NMR) spectroscopy and magnetic resonance imaging (MRI) provide non-invasive information about multiple nuclear species in bulk matter, with wide-ranging applications from basic physics and chemistry to biomedical imaging. However, the spatial resolution of conventional NMR and MRI is limited to several micrometres even at large magnetic fields (>1 T), which is inadequate for many frontier scientific applications such as single-molecule NMR spectroscopy and in vivo MRI of individual biological cells. A promising approach for nanoscale NMR and MRI exploits optical measurements of nitrogen-vacancy (NV) colour centres in diamond, which provide a combination of magnetic field sensitivity and nanoscale spatial resolution unmatched by any existing technology, while operating under ambient conditions in a robust, solid-state system. Recently, single, shallow NV centres were used to demonstrate NMR of nanoscale ensembles of proton spins, consisting of a statistical polarization equivalent to ˜100-1,000 spins in uniform samples covering the surface of a bulk diamond chip. Here, we realize nanoscale NMR spectroscopy and MRI of multiple nuclear species (1H, 19F, 31P) in non-uniform (spatially structured) samples under ambient conditions and at moderate magnetic fields (˜20 mT) using two complementary sensor modalities.

  17. Reducing the risk to Mars: The gas core nuclear rocket

    NASA Technical Reports Server (NTRS)

    Howe, S. D.; DeVolder, B.; Thode, L.; Zerkle, D.

    1998-01-01

    The next giant leap for mankind will be the human exploration of Mars. Almost certainly within the next thirty years, a human crew will brave the isolation, the radiation, and the lack of gravity to walk on and explore the Red planet. However, because the mission distances and duration will be hundreds of times greater than the lunar missions, a human crew will face much greater obstacles and a higher risk than those experienced during the Apollo program. A single solution to many of these obstacles is to dramatically decrease the mission duration by developing a high performance propulsion system. The gas-core nuclear rocket (GCNR) has the potential to be such a system. The authors have completed a comparative study of the potential impact that a GCNR could have on a manned Mars mission. The total IMLEO, transit times, and accumulated radiation dose to the crew will be compared with the NASA Design Reference Missions.

  18. Reducing the risk to Mars: The gas core nuclear rocket

    NASA Astrophysics Data System (ADS)

    Howe, S. D.; Devolder, B.; Thode, L.; Zerkle, D.

    1998-01-01

    The next giant leap for mankind will be the human exploration of Mars. Almost certainly within the next thirty years, a human crew will brave the isolation, the radiation, and the lack of gravity to walk on and explore the Red planet. However, because the mission distances and duration will be hundreds of times greater than the lunar missions, a human crew will face much greater obstacles and a higher risk than those experienced during the Apollo program. A single solution to many of these obstacles is to dramatically decrease the mission duration by developing a high performance propulsion system. The gas-core nuclear rocket (GCNR) has the potential to be such a system. We have completed a comparative study of the potential impact that a GCNR could have on a manned Mars mission. The total IMLEO, transit times, and accumulated radiation dose to the crew will be compared with the NASA Design Reference Missions.

  19. Reducing the risk to Mars: The gas core nuclear rocket

    SciTech Connect

    Howe, S. D.; DeVolder, B.; Thode, L.; Zerkle, D.

    1998-01-15

    The next giant leap for mankind will be the human exploration of Mars. Almost certainly within the next thirty years, a human crew will brave the isolation, the radiation, and the lack of gravity to walk on and explore the Red planet. However, because the mission distances and duration will be hundreds of times greater than the lunar missions, a human crew will face much greater obstacles and a higher risk than those experienced during the Apollo program. A single solution to many of these obstacles is to dramatically decrease the mission duration by developing a high performance propulsion system. The gas-core nuclear rocket (GCNR) has the potential to be such a system. We have completed a comparative study of the potential impact that a GCNR could have on a manned Mars mission. The total IMLEO, transit times, and accumulated radiation dose to the crew will be compared with the NASA Design Reference Missions.

  20. Reducing the risk to Mars: The gas core nuclear rocket

    SciTech Connect

    Howe, S.D.; DeVolder, B.; Thode, L.; Zerkle, D.

    1998-12-31

    The next giant leap for mankind will be the human exploration of Mars. Almost certainly within the next thirty years, a human crew will brave the isolation, the radiation, and the lack of gravity to walk on and explore the Red planet. However, because the mission distances and duration will be hundreds of times greater than the lunar missions, a human crew will face much greater obstacles and a higher risk than those experienced during the Apollo program. A single solution to many of these obstacles is to dramatically decrease the mission duration by developing a high performance propulsion system. The gas-core nuclear rocket (GCNR) has the potential to be such a system. The authors have completed a comparative study of the potential impact that a GCNR could have on a manned Mars mission. The total IMLEO, transit times, and accumulated radiation dose to the crew will be compared with the NASA Design Reference Missions.

  1. First-principles interpretation of core-level spectroscopy of photoelectrochemical materials and processes

    NASA Astrophysics Data System (ADS)

    Pemmaraju, Sri Chaitanya Das; Prendergast, David

    2014-03-01

    We present two case studies of first-principles theoretical methods applied in conjunction with experimental core-level spectroscopy measurements to investigate the electronic structure and dynamical processes in molecular and interfacial systems relevant to photoelectrochemical (PEC) technologies. In the first, we study the core-level and valence spectroscopies of two zinc(II)-porphyrin based Donor-pi-Acceptor (D-p-A) dyes using the occupancy-constrained excited electron and core-hole (XCH) approach and time-dependent density functional theory (TDDFT) simulations. In the second, we use constrained DFT and TDDFT to interpret measured transient core-level shifts in time-resolved femtosecond x-ray photoelectron spectroscopy, investigating the dynamics of the electron injection process from a N3 dye molecule chemisorbed onto a ZnO substrate. These studies illustrate the utility of first-principles methods in guiding the design of better PEC materials. This work was performed at the Molecular Foundry, LBNL, supported by the Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231.

  2. Nuclear Gamma-Ray Spectroscopy at the Limit of Particle Spectroscopy

    SciTech Connect

    Dr. Norbert Pietralla

    2006-03-29

    The research project ''Nuclear Gamma-Ray Spectroscopy at the Limit of Particle Stability'' with sponsor ID ''DE-FG02-04ER41334'' started late-summer 2004 and aims at the investigation of highly excited low-spin states of selected key-nuclei in the vicinity of the particle separation threshold by means of high-resolution gamma-ray spectroscopy in electromagnetic excitation reactions. This work addresses nuclear structures with excitation energies close to the binding energy or highly excited off-yrast states in accordance with the NSAC milestones. In 2005 the program was extended towards additional use of virtual photons and theoretical description of the low-lying collective excitations in the well deformed nuclei.

  3. Hollow Core Fiber Optics for Mid-Wave and Long-Wave Infrared Spectroscopy

    SciTech Connect

    Kriesel, J.M.; Gat, N.; Bernacki, Bruce E.; Erikson, Rebecca L.; Cannon, Bret D.; Myers, Tanya L.; Bledt, Carlos M.; Harrington, J. A.

    2011-06-01

    The development and testing of hollow core glass waveguides (i.e., fiber optics) for use in Long-Wave Infrared (LWIR) spectroscopy systems is described. LWIR fiber optics are a key enabling technology needed to improve the utility and effectiveness of trace chemical detection systems based in the 8 to 12 micron region. This paper focuses on recent developments in hollow waveguide technology geared specifically for LWIR spectroscopy, including a reduction in both the length dependent loss and the bending loss while maintaining relatively high beam quality. Results will be presented from tests conducted with a Quantum Cascade Laser.

  4. Ultrafast core-loss spectroscopy in four-dimensional electron microscopy

    PubMed Central

    van der Veen, Renske M.; Penfold, Thomas J.; Zewail, Ahmed H.

    2015-01-01

    We demonstrate ultrafast core-electron energy-loss spectroscopy in four-dimensional electron microscopy as an element-specific probe of nanoscale dynamics. We apply it to the study of photoexcited graphite with femtosecond and nanosecond resolutions. The transient core-loss spectra, in combination with ab initio molecular dynamics simulations, reveal the elongation of the carbon-carbon bonds, even though the overall behavior is a contraction of the crystal lattice. A prompt energy-gap shrinkage is observed on the picosecond time scale, which is caused by local bond length elongation and the direct renormalization of band energies due to temperature-dependent electron–phonon interactions. PMID:26798793

  5. Revisiting the vortex-core tunnelling spectroscopy in YBa2Cu3O7-δ

    NASA Astrophysics Data System (ADS)

    Bruér, Jens; Maggio-Aprile, Ivan; Jenkins, Nathan; Ristić, Zoran; Erb, Andreas; Berthod, Christophe; Fischer, Øystein; Renner, Christoph

    2016-03-01

    The observation by scanning tunnelling spectroscopy of Abrikosov vortex cores in the high-temperature superconductor YBa2Cu3O7-δ (Y123) has revealed a robust pair of electron-hole symmetric states at finite subgap energy. Their interpretation remains an open question because theory predicts a different signature in the vortex cores, characterized by a strong zero-bias conductance peak. Here, we present scanning tunnelling spectroscopy data on very homogeneous Y123 at 0.4 K revealing that the subgap features do not belong to vortices: they are actually observed everywhere along the surface with high spatial and energy reproducibility, even in the absence of magnetic field. Detailed analysis and modelling show that these states remain unpaired in the superconducting phase and belong to an incoherent channel, which contributes to the tunnelling signal in parallel with the superconducting density of states.

  6. The electronic characterization of biphenylene—Experimental and theoretical insights from core and valence level spectroscopy

    SciTech Connect

    Lüder, Johann; Sanyal, Biplab; Eriksson, Olle; Brena, Barbara; Puglia, Carla; Simone, Monica de; Totani, Roberta; Coreno, Marcello; Grazioli, Cesare

    2015-02-21

    In this paper, we provide detailed insights into the electronic structure of the gas phase biphenylene molecule through core and valence spectroscopy. By comparing results of X-ray Photoelectron Spectroscopy (XPS) measurements with ΔSCF core-hole calculations in the framework of Density Functional Theory (DFT), we could decompose the characteristic contributions to the total spectra and assign them to non-equivalent carbon atoms. As a difference with similar molecules like biphenyl and naphthalene, an influence of the localized orbitals on the relative XPS shifts was found. The valence spectrum probed by photoelectron spectroscopy at a photon energy of 50 eV in conjunction with hybrid DFT calculations revealed the effects of the localization on the electronic states. Using the transition potential approach to simulate the X-ray absorption spectroscopy measurements, similar contributions from the non-equivalent carbon atoms were determined from the total spectrum, for which the slightly shifted individual components can explain the observed asymmetric features.

  7. Deconvolving instrumental and intrinsic broadening in core-shell x-ray spectroscopies

    SciTech Connect

    Fister, T. T.; Seidler, G. T.; Rehr, J. J.; Kas, J. J.; Nagle, K. P.; Elam, W. T.; Cross, J. O.

    2007-05-01

    Intrinsic and experimental mechanisms frequently lead to broadening of spectral features in core-shell spectroscopies. For example, intrinsic broadening occurs in x-ray absorption spectroscopy (XAS) measurements of heavy elements where the core-hole lifetime is very short. On the other hand, nonresonant x-ray Raman scattering (XRS) and other energy loss measurements are more limited by instrumental resolution. Here, we demonstrate that the Richardson-Lucy (RL) iterative algorithm provides a robust method for deconvolving instrumental and intrinsic resolutions from typical XAS and XRS data. For the K-edge XAS of Ag, we find nearly complete removal of {approx}9.3 eV full width at half maximum broadening from the combined effects of the short core-hole lifetime and instrumental resolution. We are also able to remove nearly all instrumental broadening in an XRS measurement of diamond, with the resulting improved spectrum comparing favorably with prior soft x-ray XAS measurements. We present a practical methodology for implementing the RL algorithm in these problems, emphasizing the importance of testing for stability of the deconvolution process against noise amplification, perturbations in the initial spectra, and uncertainties in the core-hole lifetime.

  8. Deconvolving instrumental and intrinsic broadening in core-shell x-ray spectroscopies

    NASA Astrophysics Data System (ADS)

    Fister, T. T.; Seidler, G. T.; Rehr, J. J.; Kas, J. J.; Elam, W. T.; Cross, J. O.; Nagle, K. P.

    2007-05-01

    Intrinsic and experimental mechanisms frequently lead to broadening of spectral features in core-shell spectroscopies. For example, intrinsic broadening occurs in x-ray absorption spectroscopy (XAS) measurements of heavy elements where the core-hole lifetime is very short. On the other hand, nonresonant x-ray Raman scattering (XRS) and other energy loss measurements are more limited by instrumental resolution. Here, we demonstrate that the Richardson-Lucy (RL) iterative algorithm provides a robust method for deconvolving instrumental and intrinsic resolutions from typical XAS and XRS data. For the K -edge XAS of Ag, we find nearly complete removal of ˜9.3eV full width at half maximum broadening from the combined effects of the short core-hole lifetime and instrumental resolution. We are also able to remove nearly all instrumental broadening in an XRS measurement of diamond, with the resulting improved spectrum comparing favorably with prior soft x-ray XAS measurements. We present a practical methodology for implementing the RL algorithm in these problems, emphasizing the importance of testing for stability of the deconvolution process against noise amplification, perturbations in the initial spectra, and uncertainties in the core-hole lifetime.

  9. High resolution core level spectroscopy of hydrogen-terminated (1 0 0) diamond.

    PubMed

    Schenk, A K; Rietwyk, K J; Tadich, A; Stacey, A; Ley, L; Pakes, C I

    2016-08-01

    Synchrotron-based photoelectron spectroscopy experiments are presented that address a long standing inconsistency in the treatment of the C1s core level of hydrogen terminated (1 0 0) diamond. Through a comparison of surface and bulk sensitive measurements we show that there is a surface related core level component to lower binding energy of the bulk diamond component; this component has a chemical shift of [Formula: see text] eV which has been attributed to carbon atoms which are part of the hydrogen termination. Additionally, our results indicate that the asymmetry of the hydrogen terminated (1 0 0) diamond C1s core level is an intrinsic aspect of the bulk diamond peak which we have attributed to sub-surface carbon layers. PMID:27299369

  10. High resolution core level spectroscopy of hydrogen-terminated (1 0 0) diamond

    NASA Astrophysics Data System (ADS)

    Schenk, A. K.; Rietwyk, K. J.; Tadich, A.; Stacey, A.; Ley, L.; Pakes, C. I.

    2016-08-01

    Synchrotron-based photoelectron spectroscopy experiments are presented that address a long standing inconsistency in the treatment of the C1s core level of hydrogen terminated (1 0 0) diamond. Through a comparison of surface and bulk sensitive measurements we show that there is a surface related core level component to lower binding energy of the bulk diamond component; this component has a chemical shift of -0.16+/- 0.05 eV which has been attributed to carbon atoms which are part of the hydrogen termination. Additionally, our results indicate that the asymmetry of the hydrogen terminated (1 0 0) diamond C1s core level is an intrinsic aspect of the bulk diamond peak which we have attributed to sub-surface carbon layers.

  11. Perforated hollow-core optical waveguides for on-chip atomic spectroscopy and gas sensing

    NASA Astrophysics Data System (ADS)

    Giraud-Carrier, M.; Hill, C.; Decker, T.; Black, J. A.; Schmidt, H.; Hawkins, A.

    2016-03-01

    A hollow-core waveguide structure for on-chip atomic spectroscopy is presented. The devices are based on Anti-Resonant Reflecting Optical Waveguides and may be used for a wide variety of applications which rely on the interaction of light with gases and vapors. The designs presented here feature short delivery paths of the atomic vapor into the hollow waveguide. They also have excellent environmental stability by incorporating buried solid-core waveguides to deliver light to the hollow cores. Completed chips were packaged with an Rb source and the F = 3 ≥ F' = 2, 3, 4 transitions of the D2 line in 85Rb were monitored for optical absorption. Maximum absorption peak depths of 9% were measured.

  12. A versatile pulse programmer for pulsed nuclear magnetic resonance spectroscopy.

    NASA Technical Reports Server (NTRS)

    Tarr, C. E.; Nickerson, M. A.

    1972-01-01

    A digital pulse programmer producing the standard pulse sequences required for pulsed nuclear magnetic resonance spectroscopy is described. In addition, a 'saturation burst' sequence, useful in the measurement of long relaxation times in solids, is provided. Both positive and negative 4 V trigger pulses are produced that are fully synchronous with a crystal-controlled time base, and the pulse programmer may be phase-locked with a maximum pulse jitter of 3 ns to the oscillator of a coherent pulse spectrometer. Medium speed TTL integrated circuits are used throughout.

  13. Spectroscopy of Light Nuclei with Low Energy Nuclear Reactions

    NASA Astrophysics Data System (ADS)

    Lombardo, I.; Dell'Aquila, D.; Vigilante, M.

    2016-07-01

    We discuss new results concerning the investigation of the 19F(p,α 0)16O and 10B(p,α 0)7Be reactions at low energies. Both reactions are important for the nuclear spectroscopy of the formed compound nucleus, i.e. 20Ne and 11C respectively, and play a role in nuclear astrophysics. For the 10B(p,α 0)7Be case, a comprehensive analysis of our reaction data and other scattering data points out the possible presence of an unreported state in 11C at Ex ≈ 9.36 MeV. For the 19F(p,α 0)16O case, the study of the low energy angular distributions testifies the role played by low energy resonances in the S-factor, leading to an enhanced reaction rate at stellar energies.

  14. Nuclear magnetic resonance spectroscopy of the circadian clock of cyanobacteria.

    PubMed

    Chang, Yong-Gang; Tseng, Roger; Kuo, Nai-Wei; LiWang, Andy

    2013-07-01

    The most well-understood circadian clock at the level of molecular mechanisms is that of cyanobacteria. This overview is on how solution-state nuclear magnetic resonance (NMR) spectroscopy has contributed to this understanding. By exciting atomic spin-½ nuclei in a strong magnetic field, NMR obtains information on their chemical environments, inter-nuclear distances, orientations, and motions. NMR protein samples are typically aqueous, often at near-physiological pH, ionic strength, and temperature. The level of information obtainable by NMR depends on the quality of the NMR sample, by which we mean the solubility and stability of proteins. Here, we use examples from our laboratory to illustrate the advantages and limitations of the technique. PMID:23667047

  15. Nuclear spectroscopy in nuclei with Z ≥ 110

    NASA Astrophysics Data System (ADS)

    Ackermann, D.

    2015-12-01

    The nuclear structure of species at the extreme of highest atomic numbers Z and nuclear masses A promises to reveal intriguing new features of this exotic hadronic matter. Their stability itself they owe to quantum-mechanic effects only. They form metastable states which, governed by the subtle interplay of α decay and spontaneous fission versus quantum-mechanic stabilization via shell effects, are in some cases more robust against disintegration than their ground states. Following the isotopic and isotonic trends of single particle levels, as well as collective features like deformation, may reveal the path towards the gap in the level densities, expected for the next closed proton and neutron shells at the so-called "island of stability" of spherical superheavy nuclei. Their atomic configuration offers via X-ray spectroscopy a tool to identify the atomic number of heavy species, where other more traditional methods like evaporation residue (ER)-α correlation are not applicable.

  16. Ultrahigh temperature vapor core reactor-MHD system for space nuclear electric power

    NASA Technical Reports Server (NTRS)

    Maya, Isaac; Anghaie, Samim; Diaz, Nils J.; Dugan, Edward T.

    1991-01-01

    The conceptual design of a nuclear space power system based on the ultrahigh temperature vapor core reactor with MHD energy conversion is presented. This UF4 fueled gas core cavity reactor operates at 4000 K maximum core temperature and 40 atm. Materials experiments, conducted with UF4 up to 2200 K, demonstrate acceptable compatibility with tungsten-molybdenum-, and carbon-based materials. The supporting nuclear, heat transfer, fluid flow and MHD analysis, and fissioning plasma physics experiments are also discussed.

  17. Identification of a Functional, CRM-1-Dependent Nuclear Export Signal in Hepatitis C Virus Core Protein

    PubMed Central

    Cerutti, Andrea; Maillard, Patrick; Minisini, Rosalba; Vidalain, Pierre-Olivier; Roohvand, Farzin; Pecheur, Eve-Isabelle; Pirisi, Mario; Budkowska, Agata

    2011-01-01

    Hepatitis C virus (HCV) infection is a major cause of chronic liver disease worldwide. HCV core protein is involved in nucleocapsid formation, but it also interacts with multiple cytoplasmic and nuclear molecules and plays a crucial role in the development of liver disease and hepatocarcinogenesis. The core protein is found mostly in the cytoplasm during HCV infection, but also in the nucleus in patients with hepatocarcinoma and in core-transgenic mice. HCV core contains nuclear localization signals (NLS), but no nuclear export signal (NES) has yet been identified. We show here that the aa(109–133) region directs the translocation of core from the nucleus to the cytoplasm by the CRM-1-mediated nuclear export pathway. Mutagenesis of the three hydrophobic residues (L119, I123 and L126) in the identified NES or in the sequence encoding the mature core aa(1–173) significantly enhanced the nuclear localisation of the corresponding proteins in transfected Huh7 cells. Both the NES and the adjacent hydrophobic sequence in domain II of core were required to maintain the core protein or its fragments in the cytoplasmic compartment. Electron microscopy studies of the JFH1 replication model demonstrated that core was translocated into the nucleus a few minutes after the virus entered the cell. The blockade of nucleocytoplasmic export by leptomycin B treatment early in infection led to the detection of core protein in the nucleus by confocal microscopy and coincided with a decrease in virus replication. Our data suggest that the functional NLS and NES direct HCV core protein shuttling between the cytoplasmic and nuclear compartments, with at least some core protein transported to the nucleus. These new properties of HCV core may be essential for virus multiplication and interaction with nuclear molecules, influence cell signaling and the pathogenesis of HCV infection. PMID:22039426

  18. Core-hole-clock spectroscopies in the tender x-ray domain

    NASA Astrophysics Data System (ADS)

    Novella Piancastelli, Maria; Goldsztejn, Gildas; Marchenko, Tatiana; Guillemin, Renaud; Kushawaha, Rajesh K.; Journel, Loïc; Carniato, Stéphane; Rueff, Jean-Pascal; Céolin, Denis; Simon, Marc

    2014-06-01

    The core-hole-clock method to observe dynamical phenomena in molecular photoexcitation on the 1 fs-hundreds-of-attoseconds time scale is illustrated with examples from resonant inelastic x-ray scattering (RIXS) and resonant-Auger-emission experiments on the prototypical CH3Cl system in the tender x-ray domain. In particular, a direct comparison between RIXS and resonant-Auger data allows us to unravel subtle details of nuclear motion and interplay of potential curves of the intermediate and final states reached upon deep-core excitation.

  19. Charge separation and energy transfer in the photosystem II core complex studied by femtosecond midinfrared spectroscopy.

    PubMed

    Pawlowicz, N P; Groot, M-L; van Stokkum, I H M; Breton, J; van Grondelle, R

    2007-10-15

    The core of photosystem II (PSII) of green plants contains the reaction center (RC) proteins D1D2-cytb559 and two core antennas CP43 and CP47. We have used time-resolved visible pump/midinfrared probe spectroscopy in the region between 1600 and 1800 cm(-1) to study the energy transfer and charge separation events within PSII cores. The absorption difference spectra in the region of the keto and ester chlorophyll modes show spectral evolution with time constants of 3 ps, 27 ps, 200 ps, and 2 ns. Comparison of infrared (IR) difference spectra obtained for the isolated antennas CP43 and CP47 and the D1D2-RC with those measured for the PSII core allowed us to identify the features specific for each of the PSII core components. From the presence of the CP43 and CP47 specific features in the spectra up to time delays of 20-30 ps, we conclude that the main part of the energy transfer from the antennas to the RC occurs on this timescale. Direct excitation of the pigments in the RC evolution associated difference spectra to radical pair formation of PD1+PheoD1- on the same timescale as multi-excitation annihilation and excited state equilibration within the antennas CP43 and CP47, which occur within approximately 1-3 ps. The formation of the earlier radical pair ChlD1+PheoD1-, as identified in isolated D1D2 complexes with time-resolved mid-IR spectroscopy is not observed in the current data, probably because of its relatively low concentration. Relaxation of the state PD1+PheoD1-, caused by a drop in free energy, occurs in 200 ps in closed cores. We conclude that the kinetic model proposed earlier for the energy and electron transfer dynamics within the D1D2-RC, plus two slowly energy-transferring antennas C43 and CP47 explain the complex excited state and charge separation dynamics in the PSII core very well. We further show that the time-resolved IR-difference spectrum of PD1+PheoD1- as observed in PSII cores is virtually identical to that observed in the isolated D1D2-RC

  20. Hollow core fiber optics for mid-wave and long-wave infrared spectroscopy

    NASA Astrophysics Data System (ADS)

    Kriesel, Jason M.; Gat, Nahum; Bernacki, Bruce E.; Erikson, Rebecca L.; Cannon, Bret D.; Myers, Tanya L.; Bledt, Carlos M.; Harrington, James A.

    2011-05-01

    We describe the development and testing of hollow core glass waveguides (i.e., fiber optics) for use in Mid-Wave Infrared (MWIR) and Long-Wave Infrared (LWIR) spectroscopy systems. Spectroscopy measurements in these wavelength regions (i.e., from 3 to 14 μm) are useful for detecting trace chemical compounds for a variety of security and defense related applications, and fiber optics are a key enabling technology needed to improve the utility and effectiveness of detection and calibration systems. Hollow glass fibers have the advantage over solid-core fibers (e.g., chalcogenide) in that they are less fragile, do not produce cladding modes, do not require angle cleaving or antireflection coatings to minimize laser feedback effects, and effectively transmit deeper into the infrared. This paper focuses on recent developments in hollow fiber technology geared specifically for infrared spectroscopy, including single mode beam delivery with relatively low bending loss. Results are presented from tests conducted using both Quantum Cascade Lasers (QCL) and CO2 lasers operating in the LWIR wavelength regime. Single-mode waveguides are shown to effectively deliver beams with relatively low loss (~ 1 dB/m) and relatively high beam quality. The fibers are also shown to effectively mode-filter the "raw" multi-mode output from a QCL, in effect damping out the higher order modes to produce a circularly symmetric Gaussian-like beam profile.

  1. Comments on the feasibility of developing gas core nuclear reactors. [for manned interplanetary spacecraft propulsion

    NASA Technical Reports Server (NTRS)

    Rom, F. E.

    1969-01-01

    Recent developments in the fields of gas core hydrodynamics, heat transfer, and neutronics indicate that gas core nuclear rockets may be feasible from the point of view of basic principles. Based on performance predictions using these results, mission analyses indicate that gas core nuclear rockets may have the potential for reducing the initial weight in orbit of manned interplanetary vehicles by a factor of 5 when compared to the best chemical rocket systems. In addition, there is a potential for reducing total trip times from 450 to 500 days for chemical systems to 250 to 300 days for gas core systems. The possibility of demonstrating the feasibility of gas core nuclear rocket engines by means of a logical series of experiments of increasing difficulty that ends with ground tests of full scale gas core reactors is considered.

  2. Tracking Transitions in Spider Wrapping Silk Conformation and Dynamics by (19)F Nuclear Magnetic Resonance Spectroscopy.

    PubMed

    Sarker, Muzaddid; Orrell, Kathleen E; Xu, Lingling; Tremblay, Marie-Laurence; Bak, Jessi J; Liu, Xiang-Qin; Rainey, Jan K

    2016-05-31

    Aciniform silk protein (AcSp1) is the primary component of wrapping silk, the toughest of the spider silks because of a combination of high tensile strength and extensibility. Argiope trifasciata AcSp1 contains a core repetitive domain with at least 14 homogeneous 200-amino acid units ("W" units). Upon fibrillogenesis, AcSp1 converts from an α-helix-rich soluble state to a mixed α-helical/β-sheet conformation. Solution-state nuclear magnetic resonance (NMR) spectroscopy allowed demonstration of variable local stability within the W unit, but comprehensive characterization was confounded by spectral overlap, which was exacerbated by decreased chemical shift dispersion upon denaturation. Here, (19)F NMR spectroscopy, in the context of a single W unit (W1), is applied to track changes in structure and dynamics. Four strategic positions in the W unit were mutated to tryptophan and biosynthetically labeled with 5-fluorotryptophan (5F-Trp). Simulated annealing-based structure calculations implied that these substitutions should be tolerated, while circular dichroism (CD) spectroscopy and (1)H-(15)N chemical shift displacements indicated minimal structural perturbation in W1 mutants. Fiber formation by W2 concatemers containing 5F-Trp substitutions in both W units demonstrated retention of functionality, a somewhat surprising finding in light of sequence conservation between species. Each 5F-Trp-labeled W1 exhibited a unique (19)F chemical shift, line width, longitudinal relaxation time constant (T1), and solvent isotope shift. Perturbation to (19)F chemical shift and nuclear spin relaxation parameters reflected changes in the conformation and dynamics at each 5F-Trp site upon addition of urea and dodecylphosphocholine (DPC). (19)F NMR spectroscopy allowed unambiguous localized tracking throughout titration with each perturbant, demonstrating distinct behavior for each perturbant not previously revealed by heteronuclear NMR experiments. PMID:27153372

  3. Spectromicroscopy of Polymers: Comparison of Radiation Damage with Electron and Photon Core Excitation Spectroscopy Techniques

    NASA Astrophysics Data System (ADS)

    Ade, H.; Smith, A. P.; Rightor, E. G.; Hitchcock, A. P.; Urquhart, S.; Leapman, R.

    1997-03-01

    Core excitation microspectroscopy has become a powerful tool for the characterization of polymeric materials due to its sensitivity to chemical functionality. However, the excitations utilized in electron energy loss spectroscopy performed in a scanning transmission electron microscope (TEM-EELS) and near edge x-ray absorption fine structure (NEXAFS) spectroscopy can introduce radiation damage and chemically modify the sample. In order to understand the radiation damage associated with TEM-EELS and NEXAFS spectroscopy we have studied the radiation damage of the common polymer poly(ethylene terephthalate) (PET) as exhibited by changes in the acquired C K-edge excitation spectra. By fitting gaussian functions to the spectral intensity changes as a function of dose, we have determined the critical radiation dose of PET for both NEXAFS spectroscopy and TEM-EELS under typical operating conditions. This critical radiation dose for TEM-EELS is found to be 1.7 ± 0.2 x 10^8 grey (1.7 ± 0.2 x 10^4 Mrad) compared to a critical radiation dose for NEXAFS spectroscopy of 1.4 ± 0.7 x 10^9 grey (1.4 ± 0.7 x 10^5 Mrad). By considering the G factors of the two techniques and the critical radiation dose, a rule of thumb was derived that indicates that with typical present operating conditions, NEXAFS spectroscopy can analyze areas 500 times smaller than TEM-EELS given the same amount of radiation damage. Work supported by: NSF Young Investigator Award (DMR-9458060) and Dow Chemical

  4. Turbulence coefficients and stability studies for the coaxial flow or dissimiliar fluids. [gaseous core nuclear reactors

    NASA Technical Reports Server (NTRS)

    Weinstein, H.; Lavan, Z.

    1975-01-01

    Analytical investigations of fluid dynamics problems of relevance to the gaseous core nuclear reactor program are presented. The vortex type flow which appears in the nuclear light bulb concept is analyzed along with the fluid flow in the fuel inlet region for the coaxial flow gaseous core nuclear reactor concept. The development of numerical methods for the solution of the Navier-Stokes equations for appropriate geometries is extended to the case of rotating flows and almost completes the gas core program requirements in this area. The investigations demonstrate that the conceptual design of the coaxial flow reactor needs further development.

  5. Sensing explosives with suspended core fibers: identification and quantification using Raman spectroscopy

    NASA Astrophysics Data System (ADS)

    Tsiminis, Georgios; Chu, Fenghong; Spooner, Nigel A.; Monro, Tanya M.

    2013-03-01

    This works demonstrates the use of suspended core optical fibers as a platform for explosives detection in solution using Raman spectroscopy. This architecture combines small sampling volumes with long light-analyte interaction lengths, resulting in identification of minute quantities of explosives in solutions. In addition, the Raman signature of the solvent is used as an internal calibration standard to allow quantification of the detected molecule. Our results show detection of sub-microgram amounts of hydrogen peroxide (H2O2) in aqueous solution, a molecule difficult to detect as it lacks the nitroaromatic units, characteristic of trinitrotoluene (TNT) based explosives, which are usually targeted by traditional optical methods such as fluorescence. The same platform without any modifications can also be used to identify and quantify comparable amounts of 1,4-dinitrobenzene (DNB), a substitute molecule for TNT. These results highlight the capability of suspended-core fibers as small, cost-efficient and low-volume explosives sensors.

  6. Lamb-Dicke spectroscopy of atoms in a hollow-core photonic crystal fibre

    NASA Astrophysics Data System (ADS)

    Okaba, Shoichi; Takano, Tetsushi; Benabid, Fetah; Bradley, Tom; Vincetti, Luca; Maizelis, Zakhar; Yampol'Skii, Valery; Nori, Franco; Katori, Hidetoshi

    2014-06-01

    Unlike photons, which are conveniently handled by mirrors and optical fibres without loss of coherence, atoms lose their coherence via atom-atom and atom-wall interactions. This decoherence of atoms deteriorates the performance of atomic clocks and magnetometers, and also hinders their miniaturization. Here we report a novel platform for precision spectroscopy. Ultracold strontium atoms inside a kagome-lattice hollow-core photonic crystal fibre are transversely confined by an optical lattice to prevent atoms from interacting with the fibre wall. By confining at most one atom in each lattice site, to avoid atom-atom interactions and Doppler effect, a 7.8-kHz-wide spectrum is observed for the 1S0-3P1(m=0) transition. Atoms singly trapped in a magic lattice in hollow-core photonic crystal fibres improve the optical depth while preserving atomic coherence time.

  7. Lamb-Dicke spectroscopy of atoms in a hollow-core photonic crystal fibre

    PubMed Central

    Okaba, Shoichi; Takano, Tetsushi; Benabid, Fetah; Bradley, Tom; Vincetti, Luca; Maizelis, Zakhar; Yampol'skii, Valery; Nori, Franco; Katori, Hidetoshi

    2014-01-01

    Unlike photons, which are conveniently handled by mirrors and optical fibres without loss of coherence, atoms lose their coherence via atom–atom and atom–wall interactions. This decoherence of atoms deteriorates the performance of atomic clocks and magnetometers, and also hinders their miniaturization. Here we report a novel platform for precision spectroscopy. Ultracold strontium atoms inside a kagome-lattice hollow-core photonic crystal fibre are transversely confined by an optical lattice to prevent atoms from interacting with the fibre wall. By confining at most one atom in each lattice site, to avoid atom–atom interactions and Doppler effect, a 7.8-kHz-wide spectrum is observed for the 1S0−3P1(m=0) transition. Atoms singly trapped in a magic lattice in hollow-core photonic crystal fibres improve the optical depth while preserving atomic coherence time. PMID:24934478

  8. Lamb-Dicke spectroscopy of atoms in a hollow-core photonic crystal fibre.

    PubMed

    Okaba, Shoichi; Takano, Tetsushi; Benabid, Fetah; Bradley, Tom; Vincetti, Luca; Maizelis, Zakhar; Yampol'skii, Valery; Nori, Franco; Katori, Hidetoshi

    2014-01-01

    Unlike photons, which are conveniently handled by mirrors and optical fibres without loss of coherence, atoms lose their coherence via atom-atom and atom-wall interactions. This decoherence of atoms deteriorates the performance of atomic clocks and magnetometers, and also hinders their miniaturization. Here we report a novel platform for precision spectroscopy. Ultracold strontium atoms inside a kagome-lattice hollow-core photonic crystal fibre are transversely confined by an optical lattice to prevent atoms from interacting with the fibre wall. By confining at most one atom in each lattice site, to avoid atom-atom interactions and Doppler effect, a 7.8-kHz-wide spectrum is observed for the (1)S0-(3)P1(m=0) transition. Atoms singly trapped in a magic lattice in hollow-core photonic crystal fibres improve the optical depth while preserving atomic coherence time. PMID:24934478

  9. Probing inhomogeneous composition in core/shell nanowires by Raman spectroscopy

    SciTech Connect

    Amaduzzi, F.; Alarcón-Lladó, E.; Russo-Averchi, E.; Matteini, F.; Heiß, M.; Tütüncüoglu, G.; Conesa-Boj, S.; Fontcuberta i Morral, A.; Mata, M. de la; Arbiol, J.

    2014-11-14

    Due to its non-destructive and its micro-spatial resolution, Raman spectroscopy is a powerful tool for a rapid structural and compositional characterization of nanoscale materials. Here, by combining the compositional dependence of the Raman peaks with the existence of photonic modes in the nanowires, we address the composition inhomogeneities of Al{sub x}Ga{sub 1−x}As/GaAs core/shell structures. The experimental results are validated with complementary chemical composition maps of the nanowire cross-sections and finite-difference time-domain simulations of the photonic modes.

  10. Stability of the inner structure constituting a 'kernel' in ribosomal cores probed by dielectric spectroscopy

    NASA Astrophysics Data System (ADS)

    Blasi, M.; Bonincontro, A.; Calandrini, V.; Onori, G.; Risuleo, G.

    2001-05-01

    In this communication we present an investigation on ribosomal cores, i.e. ribosomes deprived of a select group of ribosomal proteins by LiCl treatment. This study was conducted by dielectric spectroscopy technique. The aim was to elucidate the role of ribosomal proteins in the stabilization of a very stable structural nucleus previously observed within the ribosome. The results show that this structure withstands relatively high concentrations of LiCl and is demolished within a limited range of salt concentration. The data discussed here corroborate the idea that this structure constitutes the ribosomal kernel.

  11. Continuous Wave Stimulated Raman Spectroscopy Inside a Hollow Core Photonic Crystal Fiber

    NASA Astrophysics Data System (ADS)

    Domenech, Jose L.; Cueto, Maite

    2013-06-01

    Hollow-core photonic crystal fibers (HCPCF) have raised new opportunities to study light-matter interaction. Dielectric or metallic capillaries are intrinsically lossy, making poor light guides. In contrast, HCPCFs can guide light quite efficiently, due to the band-gap effect produced by an array of smaller channels which surrounds a central hollow core with a few μm diameter. The tight confinement of light inside the core, that can be filled with gases, as well as a long interaction length, enhance multiple nonlinear phenomena, making it possible to devise new ways to do low signal level spectroscopy, as is the case of high resolution stimulated Raman spectroscopy (SRS). A. Owyoung demonstrated high resolution continuous wave SRS in 1978. Shortly afterwards, seeking higher sensitivity, he developed the quasi-continuous SRS technique (a high peak power pump laser, interacting with a low power cw probe laser). That variant remains today the best compromise between resolution and sensitivity for gas-phase Raman spectroscopy. In this work, we show the possibility of fully cw stimulated Raman spectroscopy, using a gas cell built around a HCPCF to overcome the limitations posed by the weakness of the stimulated Raman effect when not using pulsed sources. The interaction length (1.2 m), longer than that of a multiple pass refocusing cell, and the narrow diameter of the core (4.8 μm), can compensate for the much lower laser powers used in the cw set-up. The experimental complexity is considerably reduced and the instrumental resolution is at the 10's of MHz level, limited, with our fiber, by transit time effects. At present, we have demonstrated the feasibility of the experiment, a sensitivity enhancement of ˜ 6000 over the single focus regime, and a spectral resolution better than 0.005 wn in the unresolved Q-branch of the ν_1 component of the Fermi dyad of CO_2 at 1388 wn. Other examples of rotationally resolved spectra will be shown: the Q branch of O_2 at 1555 wn

  12. Serum metabonomics of acute leukemia using nuclear magnetic resonance spectroscopy

    PubMed Central

    Musharraf, Syed Ghulam; Siddiqui, Amna Jabbar; Shamsi, Tahir; Choudhary, M. Iqbal; Rahman, Atta-ur

    2016-01-01

    Acute leukemia is a critical neoplasm of white blood cells. In order to differentiate between the metabolic alterations associated with two subtypes of acute leukemia, acute lymphoblastic leukemia (ALL) and acute myeloid leukemia (AML), we investigated the serum of ALL and AML patients and compared with two controls (healthy and aplastic anemia) using 1H NMR (nuclear magnetic resonance) spectroscopy. Thirty-seven putative metabolites were identified using Carr-Purcell-Meiboom-Gill (CPMG) sequence. The use of PLS-DA and OPLS-DA models gave results with 84.38% and 90.63% classification rate, respectively. The metabolites responsible for classification are mainly lipids, lactate and glucose. Compared with controls, ALL and AML patients showed serum metabonomic differences involving aberrant metabolism pathways including glycolysis, TCA cycle, lipoprotein changes, choline and fatty acid metabolisms. PMID:27480133

  13. Authentication of Medicines Using Nuclear Quadrupole Resonance Spectroscopy.

    PubMed

    Chen, Cheng; Zhang, Fengchao; Barras, Jamie; Althoefer, Kaspar; Bhunia, Swarup; Mandal, Soumyajit

    2016-01-01

    The production and sale of counterfeit and substandard pharmaceutical products, such as essential medicines, is an important global public health problem. We describe a chemometric passport-based approach to improve the security of the pharmaceutical supply chain. Our method is based on applying nuclear quadrupole resonance (NQR) spectroscopy to authenticate the contents of medicine packets. NQR is a non-invasive, non-destructive, and quantitative radio frequency (RF) spectroscopic technique. It is sensitive to subtle features of the solid-state chemical environment and thus generates unique chemical fingerprints that are intrinsically difficult to replicate. We describe several advanced NQR techniques, including two-dimensional measurements, polarization enhancement, and spin density imaging, that further improve the security of our authentication approach. We also present experimental results that confirm the specificity and sensitivity of NQR and its ability to detect counterfeit medicines. PMID:26841409

  14. Serum metabonomics of acute leukemia using nuclear magnetic resonance spectroscopy.

    PubMed

    Musharraf, Syed Ghulam; Siddiqui, Amna Jabbar; Shamsi, Tahir; Choudhary, M Iqbal; Rahman, Atta-Ur

    2016-01-01

    Acute leukemia is a critical neoplasm of white blood cells. In order to differentiate between the metabolic alterations associated with two subtypes of acute leukemia, acute lymphoblastic leukemia (ALL) and acute myeloid leukemia (AML), we investigated the serum of ALL and AML patients and compared with two controls (healthy and aplastic anemia) using (1)H NMR (nuclear magnetic resonance) spectroscopy. Thirty-seven putative metabolites were identified using Carr-Purcell-Meiboom-Gill (CPMG) sequence. The use of PLS-DA and OPLS-DA models gave results with 84.38% and 90.63% classification rate, respectively. The metabolites responsible for classification are mainly lipids, lactate and glucose. Compared with controls, ALL and AML patients showed serum metabonomic differences involving aberrant metabolism pathways including glycolysis, TCA cycle, lipoprotein changes, choline and fatty acid metabolisms. PMID:27480133

  15. Discrete decoding based ultrafast multidimensional nuclear magnetic resonance spectroscopy

    NASA Astrophysics Data System (ADS)

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

    2015-07-01

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

  16. Quantum information processing by nuclear magnetic resonance spectroscopy

    NASA Astrophysics Data System (ADS)

    Havel, T. F.; Cory, D. G.; Lloyd, S.; Boulant, N.; Fortunato, E. M.; Pravia, M. A.; Teklemariam, G.; Weinstein, Y. S.; Bhattacharyya, A.; Hou, J.

    2002-03-01

    Nuclear magnetic resonance (NMR) is a direct macroscopic manifestation of the quantum mechanics of the intrinsic angular momentum of atomic nuclei. It is best known for its extraordinary range of applications, which include molecular structure determination, medical imaging, and measurements of flow and diffusion rates. Most recently, liquid-state NMR spectroscopy has been found to provide a powerful experimental tool for the development and evaluation of the coherent control techniques needed for quantum information processing. This burgeoning new interdisciplinary field has the potential to achieve cryptographic, communications, and computational feats far beyond what is possible with known classical physics. Indeed, NMR has made the demonstration of many of these feats sufficiently simple to be carried out by high school summer interns working in our laboratory (see the last two authors). In this paper the basic principles of quantum information processing by NMR spectroscopy are described, along with several illustrative experiments suitable for incorporation into the undergraduate physics curriculum. These experiments are spin-spin interferometry, an implementation of the quantum Fourier transform, and the quantum simulation of a harmonic oscillator.

  17. Discrete decoding based ultrafast multidimensional nuclear magnetic resonance spectroscopy

    SciTech Connect

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

    2015-07-14

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

  18. Multilevel memristor effect in metal-semiconductor core-shell nanoparticles tested by scanning tunneling spectroscopy

    NASA Astrophysics Data System (ADS)

    Chakrabarti, Sudipto; Pal, Amlan J.

    2015-05-01

    We have grown gold (Au) and copper-zinc-tin-sulfide (CZTS) nanocrystals and Au-CZTS core-shell nanostructures, with gold in the core and the semiconductor in the shell layer, through a high-temperature colloidal synthetic approach. Following usual characterization, we formed ultrathin layers of these in order to characterize the nanostructures in an ultrahigh-vacuum scanning tunneling microscope. Scanning tunneling spectroscopy of individual nanostructures showed the memristor effect or resistive switching from a low- to a high-conducting state upon application of a suitable voltage pulse. The Au-CZTS core-shell nanostructures also show a multilevel memristor effect with the nanostructures undergoing two transitions in conductance at two magnitudes of voltage pulse. We have studied the reproducibility, reversibility, and retentivity of the multilevel memristors. From the normalized density of states (NDOS), we infer that the memristor effect is correlated to a decrease in the transport gap of the nanostructures. We also infer that the memristor effect occurs in the nanostructures due to an increase in the density of available states upon application of a voltage pulse.We have grown gold (Au) and copper-zinc-tin-sulfide (CZTS) nanocrystals and Au-CZTS core-shell nanostructures, with gold in the core and the semiconductor in the shell layer, through a high-temperature colloidal synthetic approach. Following usual characterization, we formed ultrathin layers of these in order to characterize the nanostructures in an ultrahigh-vacuum scanning tunneling microscope. Scanning tunneling spectroscopy of individual nanostructures showed the memristor effect or resistive switching from a low- to a high-conducting state upon application of a suitable voltage pulse. The Au-CZTS core-shell nanostructures also show a multilevel memristor effect with the nanostructures undergoing two transitions in conductance at two magnitudes of voltage pulse. We have studied the reproducibility

  19. Quanty for core level spectroscopy - excitons, resonances and band excitations in time and frequency domain

    NASA Astrophysics Data System (ADS)

    Haverkort, Maurits W.

    2016-05-01

    Depending on the material and edge under consideration, core level spectra manifest themselves as local excitons with multiplets, edge singularities, resonances, or the local projected density of states. Both extremes, i.e., local excitons and non-interacting delocalized excitations are theoretically well under control. Describing the intermediate regime, where local many body interactions and band-formation are equally important is a challenge. Here we discuss how Quanty, a versatile quantum many body script language, can be used to calculate a variety of different core level spectroscopy types on solids and molecules, both in the frequency as well as the time domain. The flexible nature of Quanty allows one to choose different approximations for different edges and materials. For example, using a newly developed method merging ideas from density renormalization group and quantum chemistry [1-3], Quanty can calculate excitons, resonances and band-excitations in x-ray absorption, photoemission, x-ray emission, fluorescence yield, non-resonant inelastic x-ray scattering, resonant inelastic x-ray scattering and many more spectroscopy types. Quanty can be obtained from: http://www.quanty.org.

  20. Charge carrier identification in tunneling spectroscopy of core-shell nanocrystals

    NASA Astrophysics Data System (ADS)

    Nguyen, T. H.; Habinshuti, J.; Justo, Y.; Gomes, R.; Mahieu, G.; Godey, S.; Nys, J. P.; Carrillo, S.; Hens, Z.; Robbe, O.; Turrell, S.; Grandidier, B.

    2011-11-01

    Semiconductor PbSe/CdSe core-shell nanocrystals (NCs) in a double barrier tunnel junction have been investigated by means of scanning tunneling spectroscopy at low temperature. From the analysis of the differential conductance peak position as a function of the potential distribution in both potential barriers, we demonstrate a unipolar transport regime for a large amount of NCs. The same charge carriers are injected on both sides of the zero-conductance gap, and the peaks observed at higher energy arise from the charging of the NCs. Similar results are obtained for CdSe/CdS dot-in-rod NCs, indicating that the addition of a shell favors transitions between different charge states rather than single particle excited states. Further characterization of the PbSe/CdSe core-shell NCs by x-ray photoemission spectroscopy reveals that the variations in the transport properties from NC to NC are explained by the occurrence of unprotected PbSe facets that have different orientations in the junction.

  1. Delayed Gamma-Ray Spectroscopy for Spent Nuclear Fuel Assay

    SciTech Connect

    Campbell, Luke W.; Hunt, Alan W.; Ludewigt, Bernhard A.; Mozin, Vladimir V.

    2012-04-01

    High-energy, beta-delayed gamma-ray spectroscopy is investigated as a non-destructive assay technique for the determination of plutonium mass in spent nuclear fuel. This approach exploits the unique isotope-specific signatures contained in the delayed gamma-ray emission spectra detected following active interrogation with an external neutron source. A high fidelity modeling approach is described that couples radiation transport, analytical decay/depletion, and a newly developed gamma-ray emission source reconstruction code. Initially simulated and analyzed was a “one-pass” delayed gamma-ray assay that focused on the long-lived signatures. Also presented are the results of an independent study that investigated “pulsed mode” measurements, to capture the more isotope-specific, short-lived signatures. Initial modeling results outlined in this paper suggest that delayed gamma-ray assay of spent nuclear fuel assemblies can be accomplished with a neutron generator of sufficient strength and currently available gamma-ray detectors.

  2. Hanging core support system for a nuclear reactor. [LMFBR

    DOEpatents

    Burelbach, J.P.; Kann, W.J.; Pan, Y.C.; Saiveau, J.G.; Seidensticker, R.W.

    1984-04-26

    For holding the reactor core in the confining reactor vessel, a support is disclosed that is structurally independent of the vessel, that is dimensionally accurate and stable, and that comprises tandem tension linkages that act redundantly of one another to maintain stabilized core support even in the unlikely event of the complete failure of one of the linkages. The core support has a mounting platform for the reactor core, and unitary structure including a flange overlying the top edge of the reactor vessels, and a skirt and box beams between the flange and platform for establishing one of the linkages. A plurality of tension rods connect between the deck closing the reactor vessel and the platform for establishing the redundant linkage. Loaded Belleville springs flexibly hold the tension rods at the deck and separable bayonet-type connections hold the tension rods at the platform.

  3. Optimize out-of-core thermionic energy conversion for nuclear electric propulsion

    NASA Technical Reports Server (NTRS)

    Morris, J. F.

    1977-01-01

    Current designs for out of core thermionic energy conversion (TEC) to power nuclear electric propulsion (NEP) were evaluated. Approaches to improve out of core TEC are emphasized and probabilities for success are indicated. TEC gains are available with higher emitter temperatures and greater power densities. Good potentialities for accommodating external high temperature, high power density TEC with heat pipe cooled reactors exist.

  4. Multilevel memristor effect in metal-semiconductor core-shell nanoparticles tested by scanning tunneling spectroscopy.

    PubMed

    Chakrabarti, Sudipto; Pal, Amlan J

    2015-06-01

    We have grown gold (Au) and copper-zinc-tin-sulfide (CZTS) nanocrystals and Au-CZTS core-shell nanostructures, with gold in the core and the semiconductor in the shell layer, through a high-temperature colloidal synthetic approach. Following usual characterization, we formed ultrathin layers of these in order to characterize the nanostructures in an ultrahigh-vacuum scanning tunneling microscope. Scanning tunneling spectroscopy of individual nanostructures showed the memristor effect or resistive switching from a low- to a high-conducting state upon application of a suitable voltage pulse. The Au-CZTS core-shell nanostructures also show a multilevel memristor effect with the nanostructures undergoing two transitions in conductance at two magnitudes of voltage pulse. We have studied the reproducibility, reversibility, and retentivity of the multilevel memristors. From the normalized density of states (NDOS), we infer that the memristor effect is correlated to a decrease in the transport gap of the nanostructures. We also infer that the memristor effect occurs in the nanostructures due to an increase in the density of available states upon application of a voltage pulse. PMID:25966930

  5. Nuclear fusion in the deuterated cores of inflated hot Jupiters

    NASA Astrophysics Data System (ADS)

    Ouyed, Rachid; Jaikumar, Prashanth

    2016-03-01

    Ouyed et al. (Astrophys. J. 501:367, 1998) proposed Deuterium (DD) fusion at the core-mantle interface of giant planets as a mechanism to explain their observed heat excess. But rather high interior temperatures (˜105 K) and a stratified D layer are needed, making such a scenario unlikely. In this paper, we re-examine DD fusion, with the addition of screening effects pertinent to a deuterated core containing ice and some heavy elements. This alleviates the extreme temperature constraint and removes the requirement of a stratified D layer. As an application, we propose that, if their core temperatures are a few times 104 K and core composition is chemically inhomogeneous, the observed inflated size of some giant exoplanets ("hot Jupiters") may be linked to screened DD fusion occurring deep in the interior. Application of an analytic evolution model suggests that the amount of inflation from this effect can be important if there is sufficient rock-ice in the core, making DD fusion an effective extra internal energy source for radius inflation. The mechanism of screened DD fusion, operating in the above temperature range, is generally consistent with the trend in radius anomaly with planetary equilibrium temperature T_{eq}, and also depends on planetary mass. Although we do not consider the effect of incident stellar flux, we expect that a minimum level of irradiation is necessary to trigger core erosion and subsequent DD fusion inside the planet. Since DD fusion is quite sensitive to the screening potential inferred from laboratory experiments, observations of inflated hot Jupiters may help constrain screening effects in the cores of giant planets.

  6. Hanging core support system for a nuclear reactor

    DOEpatents

    Burelbach, James P.; Kann, William J.; Pan, Yen-Cheng; Saiveau, James G.; Seidensticker, Ralph W.

    1987-01-01

    For holding the reactor core in the confining reactor vessel, a support is disclosed that is structurally independent of the vessel, that is dimensionally accurate and stable, and that comprises tandem tension linkages that act redundantly of one another to maintain stabilized core support even in the unlikely event of the complete failure of one of the linkages. The core support has a mounting platform for the reactor core, and unitary structure including a flange overlying the top edge of the reactor vessels, and a skirt and box beams between the flange and platform for establishing one of the linkages. A plurality of tension rods connect between the deck closing the reactor vessel and the platform for establishing the redundant linkage. Loaded Belleville springs flexibly hold the tension rods at the deck and separable bayonet-type connections hold the tension rods at the platform. Motion or radiation sensing detectors can be provide at the lower ends of the tension rods for obtaining pertinent readings proximate the core.

  7. Differential influence of instruments in nuclear core activity evaluation by data assimilation

    NASA Astrophysics Data System (ADS)

    Bouriquet, Bertrand; Argaud, Jean-Philippe; Erhard, Patrick; Massart, Sébastien; Ponçot, Angélique; Ricci, Sophie; Thual, Olivier

    2011-01-01

    The global neutronic activity fields of a nuclear core can be reconstructed using data assimilation. Indeed, data assimilation allows to combine both measurements from instruments and information from a model, to evaluate the best possible neutronic activity within the core. We present and apply a specific procedure which evaluates the influence of measures by adding or removing instruments in a given measurement network (possibly empty). The study of various network configurations for the instruments in the nuclear core establishes that the influence of the instruments depends both on the independent instrumentation location and on the chosen network.

  8. Shape and topography corrections for planetary nuclear spectroscopy

    NASA Astrophysics Data System (ADS)

    Prettyman, Thomas H.; Hendricks, John S.

    2015-11-01

    The elemental composition of planetary surfaces can be determined using gamma ray and neutron spectroscopy. Most planetary bodies for which nuclear spectroscopy data have been acquired are round, and simple, analytic corrections for measurement geometry can be applied; however, recent measurements of the irregular asteroid 4 Vesta by Dawn required more detailed corrections using a shape model (Prettyman et al., Science 2012). In addition, subtle artifacts of topography have been observed in low altitude measurements of lunar craters, with potential implications for polar hydrogen content (Eke et al., JGR 2015). To explore shape and topography effects, we have updated the general-purpose Monte Carlo radiation transport code MCNPX to include a polygonal shape model (Prettyman and Hendricks, LPSC 2015). The shape model is fully integrated with the code’s 3D combinatorial geometry modules. A voxel-based acceleration algorithm enables fast ray-intersection calculations needed for Monte Carlo. As modified, MCNPX can model neutron and gamma ray transport within natural surfaces using global and/or regional shape/topography data (e.g. from photogrammetry and laser altimetry). We are using MCNPX to explore the effect of small-scale roughness, regional-, and global-topography for asteroids, comets and close-up measurements of high-relief features on larger bodies, such as the lunar surface. MCNPX can characterize basic effects on measurements by an orbiting spectrometer such as 1) the angular distribution of emitted particles, 2) shielding of galactic cosmic rays by surrounding terrain and 3) re-entrant scattering. In some cases, re-entrant scattering can be ignored, leading to a fast ray-tracing model that treats effects 1 and 2. The algorithm is applied to forward modeling and spatial deconvolution of epithermal neutron data acquired at Vesta. Analyses of shape/topography effects and correction strategies are presented for Vesta, selected small bodies and cratered

  9. Gas core nuclear thermal rocket engine research and development in the former USSR

    SciTech Connect

    Koehlinger, M.W.; Bennett, R.G.; Motloch, C.G.; Gurfink, M.M.

    1992-09-01

    Beginning in 1957 and continuing into the mid 1970s, the USSR conducted an extensive investigation into the use of both solid and gas core nuclear thermal rocket engines for space missions. During this time the scientific and engineering. problems associated with the development of a solid core engine were resolved. At the same time research was undertaken on a gas core engine, and some of the basic engineering problems associated with the concept were investigated. At the conclusion of the program, the basic principles of the solid core concept were established. However, a prototype solid core engine was not built because no established mission required such an engine. For the gas core concept, some of the basic physical processes involved were studied both theoretically and experimentally. However, no simple method of conducting proof-of-principle tests in a neutron flux was devised. This report focuses primarily on the development of the. gas core concept in the former USSR. A variety of gas core engine system parameters and designs are presented, along with a summary discussion of the basic physical principles and limitations involved in their design. The parallel development of the solid core concept is briefly described to provide an overall perspective of the magnitude of the nuclear thermal propulsion program and a technical comparison with the gas core concept.

  10. The solid-core heat-exchanger nuclear rocket program

    SciTech Connect

    Malenfant, R.E.

    1994-12-31

    As measured by the results of its accomplishments, the nuclear rocket program was a success. Why, then, was it cancelled? In my opinion, the cancellation resulted from the success of the Apollo program. President Kennedy declared that putting a man on the moon by 1969 would be a national objective. Upon the Apollo program`s completion, space spectaculars lost their attraction, and the manned exploration of Mars, which could have been accomplished with nuclear rockets, was shelved. Perhaps another generation of physicists and engineers will experience the thrill and satisfaction of participating in a nuclear-propulsion-based program for space exploration in decades to come.

  11. System Design for a Nuclear Electric Spacecraft Utilizing Out-of-core Thermionic Conversion

    NASA Technical Reports Server (NTRS)

    Estabrook, W. C.; Phillips, W. M.; Hsieh, T.

    1976-01-01

    Basic guidelines are presented for a nuclear space power system which utilizes heat pipes to transport thermal power from a fast nuclear reactor to an out of core thermionic converter array. Design parameters are discussed for the nuclear reactor, heat pipes, thermionic converters, shields (neutron and gamma), waste heat rejection systems, and the electrical bus bar-cable system required to transport the high current/low voltage power to the processing equipment. Dimensions are compatible with shuttle payload bay constraints.

  12. Deflection Measurements of a Thermally Simulated Nuclear Core Using a High-Resolution CCD-Camera

    NASA Technical Reports Server (NTRS)

    Stanojev, B. J.; Houts, M.

    2004-01-01

    Space fission systems under consideration for near-term missions all use compact. fast-spectrum reactor cores. Reactor dimensional change with increasing temperature, which affects neutron leakage. is the dominant source of reactivity feedback in these systems. Accurately measuring core dimensional changes during realistic non-nuclear testing is therefore necessary in predicting the system nuclear equivalent behavior. This paper discusses one key technique being evaluated for measuring such changes. The proposed technique is to use a Charged Couple Device (CCD) sensor to obtain deformation readings of electrically heated prototypic reactor core geometry. This paper introduces a technique by which a single high spatial resolution CCD camera is used to measure core deformation in Real-Time (RT). Initial system checkout results are presented along with a discussion on how additional cameras could be used to achieve a three- dimensional deformation profile of the core during test.

  13. Real-time TDDFT simulations of time-resolved core-level spectroscopies in solid state systems

    NASA Astrophysics Data System (ADS)

    Pemmaraju, Sri Chaitanya Das; Prendergast, David; Theory of Nanostructured Materials Facility Team

    The advent of sub-femtosecond time-resolved core-level spectroscopies based on high harmonic generated XUV pulses has enabled the study of electron dyanamics on characteristic femtosecond time-scales. Unambiguous interpretation of these powerful yet complex spectroscopies however requires the development of theoretical algorithms capable of modeling light-matter interaction across a wide energy range spanning both valence and core orbitals. In this context we present a recent implementation of the velocity-gauge formalism of real-time TDDFT within a linear combination of atomic orbital (LCAO) framework, which facilitates efficient numerical treatment of localized semi-core orbitals. Dynamics and spectra obtained from LCAO based simulations are compared to those from a real-space grid implementation. Potential applications are also illustrated by applying the method towards interpreting recent atto-second time-resolved IR-pump XUV-probe spectroscopies investigating sub-cycle excitation dynamics in bulk silicon.

  14. Alkyl-terminated Si(111) surfaces: A high-resolution, core level photoelectron spectroscopy study

    SciTech Connect

    Terry, J.; Linford, M.R.; Wigren, C.; Cao, R.; Pianetta, P.; Chidsey, C.E.

    1999-01-01

    The bonding of alkyl monolayers to Si(111) surfaces has been studied with high-resolution core level photoelectron spectroscopy (PES). Two very different wet-chemical methods have been used to prepare the alkyl monolayers: (i) Olefin insertion into the H{endash}Si bond of the H{endash}Si(111) surface, and (ii) replacement of Cl on the Cl{endash}Si(111) surface by an alkyl group from an alkyllithium reagent. In both cases, PES has revealed a C 1s component shifted to lower binding energy and a Si 2p component shifted to higher binding energy. Both components are attributed to the presence of a C{endash}Si bond at the interface. Along with photoelectron diffraction data [Appl. Phys. Lett. {bold 71}, 1056, (1997)], these data are used to show that these two synthetic methods can be used to functionalize the Si(111) surface. {copyright} {ital 1999 American Institute of Physics.}

  15. Long-slit spectroscopy of gas in the cores of X-ray luminous clusters

    NASA Technical Reports Server (NTRS)

    Hu, E. M.; Cowie, L. L.; Wang, Z.

    1985-01-01

    The results of long-slit spectroscopy obtained for the core regions of 14 clusters of galaxies are reported. The data are presented in detail. It is shown that the presence of optical emission is tied to the properties of the hot gas in the cluster and not to the morphology of the central galaxy or cluster, demonstrating that the optical systems are indeed formed by the cooling of hot gas. Cooling flows occur when the gas density exceeds a critical central value which corresponds to a cooling time scale which, it is argued, weakly favors low values of H(0). The kinematics of the gas flows are discussed. The excitation mechanisms, correlation of optical emission with radio properties, and upper limits on coronal line strengths from the hot gas are discussed.

  16. Monitoring of heparin concentration in serum by Raman spectroscopy within hollow core photonic crystal fiber

    NASA Astrophysics Data System (ADS)

    Khetani, Altaf; Tiwari, Vidhu S.; Harb, Alaa; Anis, Hanan

    2011-08-01

    The feasibility of using hollow core photonic crystal fiber (HC-PCF) in conjunction with Raman spectroscopy has been explored for real time monitoring of heparin concentration in serum. Heparin is an important blood anti-coagulant whose precise monitoring and controlling in patients undergoing cardiac surgery and dialysis is of utmost importance. Our method of heparin monitoring offers a novel alternative to existing clinical procedures in terms of accuracy, response time and sample volume. The optical design configuration simply involves a 785-nm laser diode whose light is coupled into HC-PCF filled with heparin-serum mixtures. By non-selectively filling HC-PCF, a strong modal field overlap is obtained. Consequently, an enhanced Raman signal (>90 times) is obtained from various heparin-serum mixtures filled HC-PCFs compared to its bulk counterpart (cuvette). The present scheme has the potential to serve as a `generic biosensing tool' for diagnosing a wide range of biological samples.

  17. Raman spectroscopy: a real-time tool for identifying microcalcifications during stereotactic breast core needle biopsies

    PubMed Central

    Saha, A.; Barman, I.; Dingari, N. C.; McGee, S.; Volynskaya, Z.; Galindo, L. H.; Liu, W.; Plecha, D.; Klein, N.; Dasari, R. R.; Fitzmaurice, M.

    2011-01-01

    Microcalcifications are an early mammographic sign of breast cancer and a target for stereotactic breast needle biopsy. We present here a Raman spectroscopic tool for detecting microcalcifications in breast tissue based on their chemical composition. We collected ex vivo Raman spectra from 159 tissue sites in fresh stereotactic breast needle biopsies from 33 patients, including 54 normal sites, 75 lesions with microcalcifications and 30 lesions without microcalcifications. Application of our Raman technique resulted in a positive predictive value of 97% for detecting microcalcifications. This study shows that Raman spectroscopy has the potential to detect microcalcifications during stereotactic breast core biopsies and provide real-time feedback to radiologists, thus reducing non-diagnostic and false negative biopsies. PMID:22025985

  18. Raman spectroscopy of GaP/GaNP core/shell nanowires

    SciTech Connect

    Dobrovolsky, A.; Chen, W. M.; Buyanova, I. A.; Sukrittanon, S.; Kuang, Y. J.; Tu, C. W.

    2014-11-10

    Raman spectroscopy is employed to characterize structural and phonon properties of GaP/GaNP core/shell nanowires (NWs) grown by molecular beam epitaxy on Si substrates. According to polarization-dependent measurements performed on single NWs, the dominant Raman modes associated with zone-center optical phonons obey selection rules in a zinc-blende lattice, confirming high crystalline quality of the NWs. Two additional modes at 360 and 397 cm{sup −1} that are specific to the NW architecture are also detected in resonant Raman spectra and are attributed to defect-activated scattering involving zone-edge transverse optical phonons and surface optical phonons, respectively. It is concluded that the formation of the involved defect states are mainly promoted during the NW growth with a high V/III ratio.

  19. Decay Spectroscopy for Nuclear Astrophysics: {beta}-delayed Proton Decay

    SciTech Connect

    Trache, L.; Simmons, E.; Spiridon, A.; McCleskey, M.; Roeder, B. T.; Tribble, R. E.; Saastamoinen, A.; Jokinen, A.; Aysto, J.; Davinson, T.; Woods, P. J.; Pollacco, E.; Kebbiri, M.

    2011-11-30

    Decay spectroscopy is one of the oldest indirect methods in nuclear astrophysics. We have developed at TAMU techniques to measure beta- and beta-delayed proton decay of sd-shell, proton-rich nuclei. The short-lived radioactive species are produced in-flight, separated, then slowed down (from about 40 MeV/u) and implanted in the middle of very thin Si detectors. These allowed us to measure protons with energies as low as 200 keV from nuclei with lifetimes of 100 ms or less. At the same time we measure gamma-rays up to 8 MeV with high resolution HPGe detectors. We have studied the decay of {sup 23}Al, {sup 27}P, {sup 31}Cl, all important for understanding explosive H-burning in novae. The technique has shown a remarkable selectivity to beta-delayed charged-particle emission and works even at radioactive beam rates of a few pps. The states populated are resonances for the radiative proton capture reactions {sup 22}Na(p,{gamma}){sup 23}Mg(crucial for the depletion of {sup 22}Na in novae), {sup 26m}Al(p,{gamma}){sup 27}Si and {sup 30}P(p,{gamma}){sup 31}S(bottleneck in novae and XRB burning), respectively. More recently we have radically improved the technique using a gas based detector we call AstroBox.

  20. TOPICAL REVIEW: Spatial localization in nuclear magnetic resonance spectroscopy

    NASA Astrophysics Data System (ADS)

    Keevil, Stephen F.

    2006-08-01

    The ability to select a discrete region within the body for signal acquisition is a fundamental requirement of in vivo NMR spectroscopy. Ideally, it should be possible to tailor the selected volume to coincide exactly with the lesion or tissue of interest, without loss of signal from within this volume or contamination with extraneous signals. Many techniques have been developed over the past 25 years employing a combination of RF coil properties, static magnetic field gradients and pulse sequence design in an attempt to meet these goals. This review presents a comprehensive survey of these techniques, their various advantages and disadvantages, and implications for clinical applications. Particular emphasis is placed on the reliability of the techniques in terms of signal loss, contamination and the effect of nuclear relaxation and J-coupling. The survey includes techniques based on RF coil and pulse design alone, those using static magnetic field gradients, and magnetic resonance spectroscopic imaging. Although there is an emphasis on techniques currently in widespread use (PRESS, STEAM, ISIS and MRSI), the review also includes earlier techniques, in order to provide historical context, and techniques that are promising for future use in clinical and biomedical applications.

  1. Application of Raman spectroscopy to identify microcalcifications and underlying breast lesions at stereotactic core needle biopsy.

    PubMed

    Barman, Ishan; Dingari, Narahara Chari; Saha, Anushree; McGee, Sasha; Galindo, Luis H; Liu, Wendy; Plecha, Donna; Klein, Nina; Dasari, Ramachandra Rao; Fitzmaurice, Maryann

    2013-06-01

    Microcalcifications are a feature of diagnostic significance on a mammogram and a target for stereotactic breast needle biopsy. Here, we report development of a Raman spectroscopy technique to simultaneously identify microcalcification status and diagnose the underlying breast lesion, in real-time, during stereotactic core needle biopsy procedures. Raman spectra were obtained ex vivo from 146 tissue sites from fresh stereotactic breast needle biopsy tissue cores from 33 patients, including 50 normal tissue sites, 77 lesions with microcalcifications, and 19 lesions without microcalcifications, using a compact clinical system. The Raman spectra were modeled on the basis of the breast tissue components, and a support vector machine framework was used to develop a single-step diagnostic algorithm to distinguish normal tissue, fibrocystic change (FCC), fibroadenoma, and breast cancer, in the absence and presence of microcalcifications. This algorithm was subjected to leave-one-site-out cross-validation, yielding a positive predictive value, negative predictive value, sensitivity, and specificity of 100%, 95.6%, 62.5%, and 100% for diagnosis of breast cancer (with or without microcalcifications) and an overall accuracy of 82.2% for classification into specific categories of normal tissue, FCC, fibroadenoma, or breast cancer (with and without microcalcifications). Notably, the majority of breast cancers diagnosed are ductal carcinoma in situ (DCIS), the most common lesion associated with microcalcifications, which could not be diagnosed using previous Raman algorithm(s). Our study shows the potential of Raman spectroscopy to concomitantly detect microcalcifications and diagnose associated lesions, including DCIS, and thus provide real-time feedback to radiologists during such biopsy procedures, reducing nondiagnostic and false-negative biopsies. PMID:23729641

  2. Structure of Colloidal Quantum Dots from Dynamic Nuclear Polarization Surface Enhanced NMR Spectroscopy.

    PubMed

    Piveteau, Laura; Ong, Ta-Chung; Rossini, Aaron J; Emsley, Lyndon; Copéret, Christophe; Kovalenko, Maksym V

    2015-11-01

    Understanding the chemistry of colloidal quantum dots (QDs) is primarily hampered by the lack of analytical methods to selectively and discriminately probe the QD core, QD surface and capping ligands. Here, we present a general concept for studying a broad range of QDs such as CdSe, CdTe, InP, PbSe, PbTe, CsPbBr3, etc., capped with both organic and inorganic surface capping ligands, through dynamic nuclear polarization (DNP) surface enhanced NMR spectroscopy. DNP can enhance NMR signals by factors of 10-100, thereby reducing the measurement times by 2-4 orders of magnitude. 1D DNP enhanced spectra acquired in this way are shown to clearly distinguish QD surface atoms from those of the QD core, and environmental effects such as oxidation. Furthermore, 2D NMR correlation experiments, which were previously inconceivable for QD surfaces, are demonstrated to be readily performed with DNP and provide the bonding motifs between the QD surfaces and the capping ligands. PMID:26473384

  3. Accelerator-driven subcritical fission in molten salt core: Closing the nuclear fuel cycle for green nuclear energy

    NASA Astrophysics Data System (ADS)

    McIntyre, Peter; Assadi, Saeed; Badgley, Karie; Baker, William; Comeaux, Justin; Gerity, James; Kellams, Joshua; McInturff, Al; Pogue, Nathaniel; Phongikaroon, Supathorn; Sattarov, Akhdiyor; Simpson, Michael; Sooby, Elizabeth; Tsvetkov, Pavel

    2013-04-01

    A technology for accelerator-driven subcritical fission in a molten salt core (ADSMS) is being developed as a basis for the destruction of the transuranics in used nuclear fuel. The molten salt fuel is a eutectic mixture of NaCl and the chlorides of the transuranics and fission products. The core is driven by proton beams from a strong-focusing cyclotron stack. This approach uniquely provides an intrinsically safe means to drive a core fueled only with transuranics, thereby eliminating competing breeding terms.

  4. Accelerator-driven subcritical fission in molten salt core: Closing the nuclear fuel cycle for green nuclear energy

    SciTech Connect

    McIntyre, Peter; Assadi, Saeed; Badgley, Karie; Baker, William; Comeaux, Justin; Gerity, James; Kellams, Joshua; McInturff, Al; Pogue, Nathaniel; Sattarov, Akhdiyor; Sooby, Elizabeth; Tsvetkov, Pavel; Phongikaroon, Supathorn; Simpson, Michael

    2013-04-19

    A technology for accelerator-driven subcritical fission in a molten salt core (ADSMS) is being developed as a basis for the destruction of the transuranics in used nuclear fuel. The molten salt fuel is a eutectic mixture of NaCl and the chlorides of the transuranics and fission products. The core is driven by proton beams from a strong-focusing cyclotron stack. This approach uniquely provides an intrinsically safe means to drive a core fueled only with transuranics, thereby eliminating competing breeding terms.

  5. Feasibility study on nuclear core design for soluble boron free small modular reactor

    SciTech Connect

    Rabir, Mohamad Hairie Hah, Chang Joo; Ju, Cho Sung

    2015-04-29

    A feasibility study on nuclear core design of soluble boron free (SBF) core for small size (150MWth) small modular reactor (SMR) was investigated. The purpose of this study was to design a once through cycle SMR core, where it can be used to supply electricity to a remote isolated area. PWR fuel assembly design with 17×17 arrangement, with 264 fuel rods per assembly was adopted as the basis design. The computer code CASMO-3/MASTER was used for the search of SBF core and fuel assembly analysis for SMR design. A low critical boron concentration (CBC) below 200 ppm core with 4.7 years once through cycle length was achieved using 57 fuel assemblies having 170 cm of active height. Core reactivity controlled using mainly 512 number of 4 wt% and 960 12 wt% Gd rods.

  6. Feasibility study on nuclear core design for soluble boron free small modular reactor

    NASA Astrophysics Data System (ADS)

    Rabir, Mohamad Hairie; Hah, Chang Joo; Ju, Cho Sung

    2015-04-01

    A feasibility study on nuclear core design of soluble boron free (SBF) core for small size (150MWth) small modular reactor (SMR) was investigated. The purpose of this study was to design a once through cycle SMR core, where it can be used to supply electricity to a remote isolated area. PWR fuel assembly design with 17×17 arrangement, with 264 fuel rods per assembly was adopted as the basis design. The computer code CASMO-3/MASTER was used for the search of SBF core and fuel assembly analysis for SMR design. A low critical boron concentration (CBC) below 200 ppm core with 4.7 years once through cycle length was achieved using 57 fuel assemblies having 170 cm of active height. Core reactivity controlled using mainly 512 number of 4 wt% and 960 12 wt% Gd rods.

  7. A Multidisciplinary Approach to High Throughput Nuclear Magnetic Resonance Spectroscopy

    PubMed Central

    Pourmodheji, Hossein; Ghafar-Zadeh, Ebrahim; Magierowski, Sebastian

    2016-01-01

    Nuclear Magnetic Resonance (NMR) is a non-contact, powerful structure-elucidation technique for biochemical analysis. NMR spectroscopy is used extensively in a variety of life science applications including drug discovery. However, existing NMR technology is limited in that it cannot run a large number of experiments simultaneously in one unit. Recent advances in micro-fabrication technologies have attracted the attention of researchers to overcome these limitations and significantly accelerate the drug discovery process by developing the next generation of high-throughput NMR spectrometers using Complementary Metal Oxide Semiconductor (CMOS). In this paper, we examine this paradigm shift and explore new design strategies for the development of the next generation of high-throughput NMR spectrometers using CMOS technology. A CMOS NMR system consists of an array of high sensitivity micro-coils integrated with interfacing radio-frequency circuits on the same chip. Herein, we first discuss the key challenges and recent advances in the field of CMOS NMR technology, and then a new design strategy is put forward for the design and implementation of highly sensitive and high-throughput CMOS NMR spectrometers. We thereafter discuss the functionality and applicability of the proposed techniques by demonstrating the results. For microelectronic researchers starting to work in the field of CMOS NMR technology, this paper serves as a tutorial with comprehensive review of state-of-the-art technologies and their performance levels. Based on these levels, the CMOS NMR approach offers unique advantages for high resolution, time-sensitive and high-throughput bimolecular analysis required in a variety of life science applications including drug discovery. PMID:27294925

  8. A Multidisciplinary Approach to High Throughput Nuclear Magnetic Resonance Spectroscopy.

    PubMed

    Pourmodheji, Hossein; Ghafar-Zadeh, Ebrahim; Magierowski, Sebastian

    2016-01-01

    Nuclear Magnetic Resonance (NMR) is a non-contact, powerful structure-elucidation technique for biochemical analysis. NMR spectroscopy is used extensively in a variety of life science applications including drug discovery. However, existing NMR technology is limited in that it cannot run a large number of experiments simultaneously in one unit. Recent advances in micro-fabrication technologies have attracted the attention of researchers to overcome these limitations and significantly accelerate the drug discovery process by developing the next generation of high-throughput NMR spectrometers using Complementary Metal Oxide Semiconductor (CMOS). In this paper, we examine this paradigm shift and explore new design strategies for the development of the next generation of high-throughput NMR spectrometers using CMOS technology. A CMOS NMR system consists of an array of high sensitivity micro-coils integrated with interfacing radio-frequency circuits on the same chip. Herein, we first discuss the key challenges and recent advances in the field of CMOS NMR technology, and then a new design strategy is put forward for the design and implementation of highly sensitive and high-throughput CMOS NMR spectrometers. We thereafter discuss the functionality and applicability of the proposed techniques by demonstrating the results. For microelectronic researchers starting to work in the field of CMOS NMR technology, this paper serves as a tutorial with comprehensive review of state-of-the-art technologies and their performance levels. Based on these levels, the CMOS NMR approach offers unique advantages for high resolution, time-sensitive and high-throughput bimolecular analysis required in a variety of life science applications including drug discovery. PMID:27294925

  9. New Versions of Terahertz Radiation Sources for Dynamic Nuclear Polarization in Nuclear Magnetic Resonance Spectroscopy

    NASA Astrophysics Data System (ADS)

    Bratman, V. L.; Kalynov, Yu. K.; Makhalov, P. B.; Fedotov, A. E.

    2014-01-01

    Dynamic nuclear polarization in strong-field nuclear magnetic resonance (NMR) spectroscopy requires terahertz radiation with moderate power levels. Nowadays, conventional gyrotrons are used almost exclusively to generate such radiation. In this review paper, we consider alternative variants of electronic microwave oscillators which require much weaker magnetic fields for their operation, namely, large-orbit gyrotrons operated at high cyclotron-frequency harmonics and Čerenkov-type devices, such as a backward-wave oscillator and a klystron frequency multiplier with tubular electron beams. Additionally, we consider the possibility to use the magnetic field created directly by the solenoid of an NMR spectrometer for operation of both the gyrotron and the backward-wave oscillator. Location of the oscillator in the spectrometer magnet makes it superfluous to use an additional superconducting magnet creating a strong field, significantly reduces the length of the radiation transmission line, and, in the case of Čerenkov-type devices, allows one to increase considerably the output-signal power. According to our calculations, all the electronic devices considered are capable of ensuring the power required for dynamic nuclear polarization (10 W or more) at a frequency of 260 GHz, whereas the gyrotrons, including their versions proposed in this paper, remain a single option at higher frequencies.

  10. Contribution of Anticipated Transients Without Scram (ATWS) to core melt at United States nuclear power plants

    SciTech Connect

    Giachetti, R.T. , Ann Arbor, MI )

    1989-09-01

    This report looks at WASH-1400 and several other Probabilistic Risk Assessments (PRAs) and Probabilistic Safety Studies (PSSs) to determine the contribution of Anticipated Transients Without Scram (ATWS) events to the total core melt probability at eight nuclear power plants in the United States. After considering each plant individually, the results are compared from plant to plant to see if any generic conclusions regarding ATWS, or core melt in general, can be made. 8 refs., 34 tabs.

  11. (129)I record of nuclear activities in marine sediment core from Jiaozhou Bay in China.

    PubMed

    Fan, Yukun; Hou, Xiaolin; Zhou, Weijian; Liu, Guangshan

    2016-04-01

    Iodine-129 has been used as a powerful tool for environmental tracing of human nuclear activities. In this work, a sediment core collected from Jiaozhou Bay, the east coast of China, in 2002 was analyzed for (129)I to investigate the influence of human nuclear activities in this region. Significantly enhanced (129)I level was observed in upper 70 cm of the sediment core, with peak values in the layer corresponding to 1957, 1964, 1974, 1986, and after 1990. The sources of (129)I and corresponding transport processes in this region are discussed, including nuclear weapons testing at the Pacific Proving Grounds, global fallout from a large numbers of nuclear weapon tests in 1963, the climax of Chinese nuclear weapons testing in the early 1970s, the Chernobyl accident in 1986, and long-distance dispersion of European reprocessing derived (129)I. The very well (129)I records of different human nuclear activities in the sediment core illustrate the potential application of (129)I in constraining ages and sedimentation rates of the recent sediment. The releases of (129)I from the European nuclear fuel reprocessing plants at La Hague (France) and Sellafield (UK) were found to dominate the inventory of (129)I in the Chinese sediments after 1990, not only the directly atmospheric releases of these reprocessing plants, but also re-emission of marine discharged (129)I of these reprocessing plants in the highly contaminated European seas. PMID:26821329

  12. Local nuclear magnetic resonance spectroscopy with giant magnetic resistance-based sensors

    NASA Astrophysics Data System (ADS)

    Guitard, P. A.; Ayde, R.; Jasmin-Lebras, G.; Caruso, L.; Pannetier-Lecoeur, M.; Fermon, C.

    2016-05-01

    Nuclear Magnetic Resonance (NMR) spectroscopy on small volumes, either on microfluidic channels or in vivo configuration, is a present challenge. We report here a high resolution NMR spectroscopy on micron scale performed with Giant Magnetic Resistance-based sensors placed in a static magnetic B 0 field of 0.3 T. The sensing volume of the order of several tens of pL opens the way to high resolution spectroscopy on volumes unreached so far.

  13. Application of gaseous core reactors for transmutation of nuclear waste

    NASA Technical Reports Server (NTRS)

    Schnitzler, B. G.; Paternoster, R. R.; Schneider, R. T.

    1976-01-01

    An acceptable management scheme for high-level radioactive waste is vital to the nuclear industry. The hazard potential of the trans-uranic actinides and of key fission products is high due to their nuclear activity and/or chemical toxicity. Of particular concern are the very long-lived nuclides whose hazard potential remains high for hundreds of thousands of years. Neutron induced transmutation offers a promising technique for the treatment of problem wastes. Transmutation is unique as a waste management scheme in that it offers the potential for "destruction" of the hazardous nuclides by conversion to non-hazardous or more manageable nuclides. The transmutation potential of a thermal spectrum uranium hexafluoride fueled cavity reactor was examined. Initial studies focused on a heavy water moderated cavity reactor fueled with 5% enriched U-235-F6 and operating with an average thermal flux of 6 times 10 to the 14th power neutrons/sq cm-sec. The isotopes considered for transmutation were I-129, Am-241, Am-242m, Am-243, Cm-243, Cm-244, Cm-245, and Cm-246.

  14. Characterization of combustion chamber products by core-level photoabsorption spectroscopy

    SciTech Connect

    Kellar, S. A.; Huff, W. R.A.; Moler, E J; Yeah, S.; Hussain, Z.

    1997-04-01

    The lubricating performance of motor oil is adversely affected by the carbon soot contamination that is a natural by-product of the combustion process. Particularly in diesel engines, {open_quote}blow-by{close_quote} is a problem that greatly decreases the longevity of the engine-lubricating oil. Motor oil manufacturers spend considerable resources developing new oil formulations that counteract the adverse affects of this combustion soot. At present, the only effective way to test new formulations is in a working engine. This process is obviously expensive and not especially efficient. In this ongoing work in collaboration with Chevron Research and Technology, the authors goal is to find a form of carbon that chemically resembles the soot created by the {open_quote}blow-by{close_quote} in a diesel engine. The chemically correct soot substitute can be used in bench tests to replace the expensive full motor testing for new formulations. The final testing would still be done in the test motors but only with promising candidates. To these ends, Near Edge X-ray Adsorption spectroscopy Extended Fine Structure (NEXAFS) is an attractive technique in that it has chemical specificity through the core-level binding energy and because it probes the chemically important unoccupied molecular orbitals of the material. Core-level photoabsorption has been used to characterize the empty electronic states of a wide variety of materials. Specifically, the near-edge region of the photoabsorption process has been used to determine the relative quantity of sp{sup 2} and sp{sup 3}bonding in carbon films. The samples were fine grained powders pressed into pellets. The C(1s) absorption spectra were collected from each sample by measuring the total electron yield from the sample as a function of photon energy. The absorption intensity was normalized to the incoming photon flux by measuring the photoyield from a fine gold mesh.

  15. The open-cycle gas-core nuclear rocket engine - Some engineering considerations.

    NASA Technical Reports Server (NTRS)

    Taylor, M. F.; Whitmarsh, C. L., Jr.; Sirocky, P. J., Jr.; Iwanczyk, L. C.

    1971-01-01

    A preliminary design study of a conceptual 6000-MW open-cycle gas-core nuclear rocket engine system was made. The engine has a thrust of 44,200 lb and a specific impulse of 4400 sec. The nuclear fuel is uranium-235 and the propellant is hydrogen. Critical fuel mass was calculated for several reactor configurations. Major components of the reactor (reflector, pressure vessel) and the waste heat rejection system were considered conceptually and were sized.

  16. Infrared Spectroscopy for Rapid Characterization of Drill Core and Cutting Mineralogy

    NASA Astrophysics Data System (ADS)

    Calvin, W. M.; Kratt, C.; Kruse, F. A.

    2009-12-01

    Water geochemistry can vary with depth and location within a geothermal reservoir, owing to natural factors such as changing rock type, gas content, fluid source and temperature. The interaction of these variable fluids with the host rock will cause well known changes in alteration mineral assemblages that are commonly factored into the exploration of hydrothermal systems for economic metals, but are less utilized with regard to mapping borehole geology for geothermal energy production. Chemistry of geothermal fluids and rock alteration products can impact production factors such as pipeline corrosion and scaling and early studies explored the use of both silica and chlorites as geothermometers. Infrared spectroscopy is particularly good at identifying a wide variety of alteration minerals, especially in discrimination among clay minerals, with no sample preparation. The technique has been extensively used in the remote identification of materials, but is not commonly used on drill core or chips. We have performed several promising pilot studies that suggest the power of the technique to sample continuously and provide mineral logs akin to geophysical ones. We have surveyed a variety of samples, including drill chip boards, boxed core, and drill cuttings from envelopes, sample bottles and chip trays. This work has demonstrated that core and drill chips can be rapidly surveyed, acquiring spectra every few to tens of cm of section, or the vertical resolution of the chip tray (typically 10 feet). Depending on the sample type we can acquire spectral data over thousands of feet depth at high vertical resolution in a fraction of the time that is needed for traditional analytical methods such as XRD or TEM with better accuracy than traditional geologic drill or chip logging that uses visual inspection alone. We have successfully identified layered silicates such as illite, kaolinite, montmorillonite chlorite and prehnite, zeolites, opal, calcite, jarosite and iron oxides

  17. GEMINI/GMOS SPECTROSCOPY OF 26 STRONG-LENSING-SELECTED GALAXY CLUSTER CORES

    SciTech Connect

    Bayliss, Matthew B.; Gladders, Michael D.; Koester, Benjamin P.; Hennawi, Joseph F.; Sharon, Keren; Dahle, Haakon; Oguri, Masamune

    2011-03-15

    We present results from a spectroscopic program targeting 26 strong-lensing cluster cores that were visually identified in the Sloan Digital Sky Survey (SDSS) and the Second Red-Sequence Cluster Survey (RCS-2). The 26 galaxy cluster lenses span a redshift range of 0.2 < z < 0.65, and our spectroscopy reveals 69 unique background sources with redshifts as high as z = 5.200. We also identify redshifts for 262 cluster member galaxies and measure the velocity dispersions and dynamical masses for 18 clusters where we have redshifts for N {>=} 10 cluster member galaxies. We account for the expected biases in dynamical masses of strong-lensing-selected clusters as predicted by results from numerical simulations and discuss possible sources of bias in our observations. The median dynamical mass of the 18 clusters with N {>=} 10 spectroscopic cluster members is M {sub Vir} = 7.84 x 10{sup 14} M {sub sun} h {sup -1} {sub 0.7}, which is somewhat higher than predictions for strong-lensing-selected clusters in simulations. The disagreement is not significant considering the large uncertainty in our dynamical data, systematic uncertainties in the velocity dispersion calibration, and limitations of the theoretical modeling. Nevertheless our study represents an important first step toward characterizing large samples of clusters that are identified in a systematic way as systems exhibiting dramatic strong-lensing features.

  18. Undistorted X-ray Absorption Spectroscopy Using s-Core-Orbital Emissions.

    PubMed

    Golnak, Ronny; Xiao, Jie; Atak, Kaan; Unger, Isaak; Seidel, Robert; Winter, Bernd; Aziz, Emad F

    2016-05-12

    Detection of secondary emissions, fluorescence yield (FY), or electron yield (EY), originating from the relaxation processes upon X-ray resonant absorption has been widely adopted for X-ray absorption spectroscopy (XAS) measurements when the primary absorption process cannot be probed directly in transmission mode. Various spectral distortion effects inherent in the relaxation processes and in the subsequent transportation of emitted particles (electron or photon) through the sample, however, undermine the proportionality of the emission signals to the X-ray absorption coefficient. In the present study, multiple radiative (FY) and nonradiative (EY) decay channels have been experimentally investigated on a model system, FeCl3 aqueous solution, at the excitation energy of the Fe L-edge. The systematic comparisons between the experimental spectra taken from various decay channels, as well as the comparison with the theoretically simulated Fe L-edge XA spectrum that involves only the absorption process, indicate that the detection of the Fe 3s → 2p partial fluorescence yield (PFY) gives rise to the true Fe L-edge XA spectrum. The two key characteristics generalized from this particular decay channel-zero orbital angular momentum (i.e., s orbital) and core-level emission-set a guideline for obtaining undistorted X-ray absorption spectra in the future. PMID:27101344

  19. A fusion-driven gas core nuclear rocket

    SciTech Connect

    Kammash, T.; Godfroy, T.

    1998-01-15

    A magnetic confinement scheme is investigated as a potential propulsion device in which thrust is generated by a propellant heated by radiation emanating from a fusion plasma. The device in question is the gasdynamic mirror (GDM) machine in which a hot dense plasma is confined long enough to generate fusion energy while allowing a certain fraction of its charged particle population to go through one end to a direct converter. The energy of these particles is converted into electric power which is recirculated to sustain the steady state operation of the system. The injected power heats the plasma to thermonuclear temperatures where the resulting fusion energy appears a charged particle power, neutron power, and radiated power in the form of bremsstrahlung and synchrotron radiation. The neutron power can be converted through a thermal converter to electric power that can be combined with the direct converter power before being fed into the injector. The radiated power, on the other hand, can be used to heat a hydrogen propellant introduced into the system at a specified pressure and mass flow rate. This propellant can be pre-heated by regeneratively cooling the (mirror) nozzle or other components of the system if feasible, or by an electrothermal unit powered by portions of the recirculated power. Using a simple heat transfer model that ignores the heat flux to the wall, and assuming total absorption of radiation energy by the propellant it is shown that such a gas core rocket is capable of producing tens of kilonewtons of thrust and several thousands of seconds of specific impulse. It is also shown that the familiar Kelvin-Helmholtz instability which arises from the relative motion of the neutral hydrogen to the ionized fuel is not likely to occur in this system due to the presence of the confining magnetic field.

  20. A fusion-driven gas core nuclear rocket

    NASA Astrophysics Data System (ADS)

    Kammash, T.; Godfroy, T.

    1998-01-01

    A magnetic confinement scheme is investigated as a potential propulsion device in which thrust is generated by a propellant heated by radiation emanating from a fusion plasma. The device in question is the gasdynamic mirror (GDM) machine in which a hot dense plasma is confined long enough to generate fusion energy while allowing a certain fraction of its charged particle population to go through one end to a direct converter. The energy of these particles is converted into electric power which is recirculated to sustain the steady state operation of the system. The injected power heats the plasma to thermonuclear temperatures where the resulting fusion energy appears a charged particle power, neutron power, and radiated power in the form of bremsstrahlung and synchrotron radiation. The neutron power can be converted through a thermal converter to electric power that can be combined with the direct converter power before being fed into the injector. The radiated power, on the other hand, can be used to heat a hydrogen propellant introduced into the system at a specified pressure and mass flow rate. This propellant can be pre-heated by regeneratively cooling the (mirror) nozzle or other components of the system if feasible, or by an electrothermal unit powered by portions of the recirculated power. Using a simple heat transfer model that ignores the heat flux to the wall, and assuming total absorption of radiation energy by the propellant it is shown that such a gas core rocket is capable of producing tens of kilonewtons of thrust and several thousands of seconds of specific impulse. It is also shown that the familiar Kelvin-Helmholtz instability which arises from the relative motion of the neutral hydrogen to the ionized fuel is not likely to occur in this system due to the presence of the confining magnetic field.

  1. Liquid level, void fraction, and superheated steam sensor for nuclear-reactor cores. [PWR; BWR

    DOEpatents

    Tokarz, R.D.

    1981-10-27

    This disclosure relates to an apparatus for monitoring the presence of coolant in liquid or mixed liquid and vapor, and superheated gaseous phases at one or more locations within an operating nuclear reactor core, such as pressurized water reactor or a boiling water reactor.

  2. Spring design for use in the core of a nuclear reactor

    DOEpatents

    Willard, Jr., H. James

    1993-01-01

    A spring design particularly suitable for use in the core of a nuclear reactor includes one surface having a first material oriented in a longitudinal direction, and another surface having a second material oriented in a transverse direction. The respective surfaces exhibit different amounts of irraditation induced strain.

  3. Nuclear data uncertainties by the PWR MOX/UO{sub 2} core rod ejection benchmark

    SciTech Connect

    Pasichnyk, I.; Klein, M.; Velkov, K.; Zwermann, W.; Pautz, A.

    2012-07-01

    Rod ejection transient of the OECD/NEA and U.S. NRC PWR MOX/UO{sub 2} core benchmark is considered under the influence of nuclear data uncertainties. Using the GRS uncertainty and sensitivity software package XSUSA the propagation of the uncertainties in nuclear data up to the transient calculations are considered. A statistically representative set of transient calculations is analyzed and both integral as well as local output quantities are compared with the benchmark results of different participants. It is shown that the uncertainties in nuclear data play a crucial role in the interpretation of the results of the simulation. (authors)

  4. Development of a biofluid chemical measurement system using liquid core optical fiber Raman spectroscopy

    NASA Astrophysics Data System (ADS)

    Qi, Dahu

    Near Infrared (NIR) Raman spectroscopy can provide compositional information about chemicals dissolved in biological fluids. The Raman intensity is proportional to the amount of chemicals. It has been developed for years as a tool to measure biofluid chemical concentrations by illuminating sample and collecting Raman intensity holding the sample in a cuvette geometry. It has been found that the Raman intensity can be enhanced by increasing the excitation and collection sample volume in a liquid core optical fiber (LCOF) geometry. In this thesis, we present a biofluid chemical concentration measurement system using LCOF Raman spectroscopy. A home-built LCOF Raman spectroscopy system designed for this purpose using 830 nm illumination is described in the thesis. The system is switchable between LCOF and traditional cuvette geometry. The system was characterized using aqueous solutions. The Raman intensities of aqueous solutions from the two geometries were compared in both theory and experiment. The results agreed well with each other. As high as 15 fold Raman enhancement was observed. The Raman spectra of biological chemicals in aqueous solution and spiked urine samples were acquired from LCOF and cuvette geometries. The concentrations were predicted using partial least squares (PLS) leave one out cross validation. The results from the two geometries were compared. Concentrations of creatinine were measured in both setups. The LCOF geometry had an advantage at shorter integration times because of Raman enhancement while the cuvette geometry gave better results at longer integration times due to a better system reproducibility. The LCOF Raman intensity varies from sample to sample with sample absorption coefficient as well as the chemical concentration. This effect can add uncertainty to the concentration measurement. Biofluid samples from multiple patients vary a lot in absorption coefficient, which could cause as much as 20% uncertainty in concentration measurement

  5. New Nuclear Equation of State for Core-Collapse Supernovae with the Variational Method

    NASA Astrophysics Data System (ADS)

    Togashi, H.; Yamamuro, S.; Nakazato, K.; Takano, M.; Suzuki, H.; Sumiyoshi, K.

    2014-03-01

    We report the current status of our project to construct a new nuclear equation of state (EOS) with the variational method for core-collapse supernova (SN) simulations. Starting from the realistic nuclear Hamiltonian, the EOS for uniform nuclear matter is constructed with the cluster variational method: For non-uniform nuclear matter, the EOS is calculated with the Thomas-Fermi method. The obtained thermodynamic quantities of uniform matter are in good agreement with those with more sophisticated Fermi Hypernetted Chain variational calculations, and phase diagrams constructed so far are close to those of the Shen-EOS. The structure of neutron stars calculated with this EOS at zero temperature is consistent with recent observational data, and the maximum mass of the neutron star is slightly larger than that with the Shen-EOS. Using the present EOS of uniform nuclear matter, we also perform the 1D simulation of the core-collapse supernovae by a simplified prescription of adiabatic hydrodynamics. The stellar core with the present EOS is more compact than that with the Shen-EOS, and correspondingly, the explosion energy in this simulation with the present EOS is larger than that with the Shen-EOS.

  6. Hydride bridge in [NiFe]-hydrogenase observed by nuclear resonance vibrational spectroscopy.

    PubMed

    Ogata, Hideaki; Krämer, Tobias; Wang, Hongxin; Schilter, David; Pelmenschikov, Vladimir; van Gastel, Maurice; Neese, Frank; Rauchfuss, Thomas B; Gee, Leland B; Scott, Aubrey D; Yoda, Yoshitaka; Tanaka, Yoshihito; Lubitz, Wolfgang; Cramer, Stephen P

    2015-01-01

    The metabolism of many anaerobes relies on [NiFe]-hydrogenases, whose characterization when bound to substrates has proven non-trivial. Presented here is direct evidence for a hydride bridge in the active site of the (57)Fe-labelled fully reduced Ni-R form of Desulfovibrio vulgaris Miyazaki F [NiFe]-hydrogenase. A unique 'wagging' mode involving H(-) motion perpendicular to the Ni(μ-H)(57)Fe plane was studied using (57)Fe-specific nuclear resonance vibrational spectroscopy and density functional theory (DFT) calculations. On Ni(μ-D)(57)Fe deuteride substitution, this wagging causes a characteristic perturbation of Fe-CO/CN bands. Spectra have been interpreted by comparison with Ni(μ-H/D)(57)Fe enzyme mimics [(dppe)Ni(μ-pdt)(μ-H/D)(57)Fe(CO)3](+) and DFT calculations, which collectively indicate a low-spin Ni(II)(μ-H)Fe(II) core for Ni-R, with H(-) binding Ni more tightly than Fe. The present methodology is also relevant to characterizing Fe-H moieties in other important natural and synthetic catalysts. PMID:26259066

  7. Hydride bridge in [NiFe]-hydrogenase observed by nuclear resonance vibrational spectroscopy

    NASA Astrophysics Data System (ADS)

    Ogata, Hideaki; Krämer, Tobias; Wang, Hongxin; Schilter, David; Pelmenschikov, Vladimir; van Gastel, Maurice; Neese, Frank; Rauchfuss, Thomas B.; Gee, Leland B.; Scott, Aubrey D.; Yoda, Yoshitaka; Tanaka, Yoshihito; Lubitz, Wolfgang; Cramer, Stephen P.

    2015-08-01

    The metabolism of many anaerobes relies on [NiFe]-hydrogenases, whose characterization when bound to substrates has proven non-trivial. Presented here is direct evidence for a hydride bridge in the active site of the 57Fe-labelled fully reduced Ni-R form of Desulfovibrio vulgaris Miyazaki F [NiFe]-hydrogenase. A unique `wagging' mode involving H- motion perpendicular to the Ni(μ-H)57Fe plane was studied using 57Fe-specific nuclear resonance vibrational spectroscopy and density functional theory (DFT) calculations. On Ni(μ-D)57Fe deuteride substitution, this wagging causes a characteristic perturbation of Fe-CO/CN bands. Spectra have been interpreted by comparison with Ni(μ-H/D)57Fe enzyme mimics [(dppe)Ni(μ-pdt)(μ-H/D)57Fe(CO)3]+ and DFT calculations, which collectively indicate a low-spin Ni(II)(μ-H)Fe(II) core for Ni-R, with H- binding Ni more tightly than Fe. The present methodology is also relevant to characterizing Fe-H moieties in other important natural and synthetic catalysts.

  8. Hydride bridge in [NiFe]-hydrogenase observed by nuclear resonance vibrational spectroscopy

    SciTech Connect

    Ogata, Hideaki; Krämer, Tobias; Wang, Hongxin; Schilter, David; Pelmenschikov, Vladimir; van Gastel, Maurice; Neese, Frank; Rauchfuss, Thomas B.; Gee, Leland B.; Scott, Aubrey D.; Yoda, Yoshitaka; Lubitz, Wolfgang; Cramer, Stephen P.

    2015-08-10

    The metabolism of many anaerobes relies on [NiFe]-hydrogenases, whose characterization when bound to substrates has proven non-trivial. Presented here is direct evidence for a hydride bridge in the active site of the 57Fe-labelled fully reduced Ni-R form of Desulfovibrio vulgaris Miyazaki F [NiFe]-hydrogenase. A unique ‘wagging’ mode involving H- motion perpendicular to the Ni(μ-H)57Fe plane was studied using 57Fe-specific nuclear resonance vibrational spectroscopy and density functional theory (DFT) calculations. On Ni(μ-D)57Fe deuteride substitution, this wagging causes a characteristic perturbation of Fe–CO/CN bands. Spectra have been interpreted by comparison with Ni(μ-H/D)57Fe enzyme mimics [(dppe)Ni(μ-pdt)(μ-H/D)57Fe(CO)3]+ and DFT calculations, which collectively indicate a low-spin Ni(II)(μ-H)Fe(II) core for Ni-R, with H- binding Ni more tightly than Fe. Lastly, the present methodology is also relevant to characterizing Fe–H moieties in other important natural and synthetic catalysts.

  9. Hydride bridge in [NiFe]-hydrogenase observed by nuclear resonance vibrational spectroscopy

    DOE PAGESBeta

    Ogata, Hideaki; Krämer, Tobias; Wang, Hongxin; Schilter, David; Pelmenschikov, Vladimir; van Gastel, Maurice; Neese, Frank; Rauchfuss, Thomas B.; Gee, Leland B.; Scott, Aubrey D.; et al

    2015-08-10

    The metabolism of many anaerobes relies on [NiFe]-hydrogenases, whose characterization when bound to substrates has proven non-trivial. Presented here is direct evidence for a hydride bridge in the active site of the 57Fe-labelled fully reduced Ni-R form of Desulfovibrio vulgaris Miyazaki F [NiFe]-hydrogenase. A unique ‘wagging’ mode involving H- motion perpendicular to the Ni(μ-H)57Fe plane was studied using 57Fe-specific nuclear resonance vibrational spectroscopy and density functional theory (DFT) calculations. On Ni(μ-D)57Fe deuteride substitution, this wagging causes a characteristic perturbation of Fe–CO/CN bands. Spectra have been interpreted by comparison with Ni(μ-H/D)57Fe enzyme mimics [(dppe)Ni(μ-pdt)(μ-H/D)57Fe(CO)3]+ and DFT calculations, which collectively indicate amore » low-spin Ni(II)(μ-H)Fe(II) core for Ni-R, with H- binding Ni more tightly than Fe. Lastly, the present methodology is also relevant to characterizing Fe–H moieties in other important natural and synthetic catalysts.« less

  10. Hydride bridge in [NiFe]-hydrogenase observed by nuclear resonance vibrational spectroscopy

    PubMed Central

    Ogata, Hideaki; Krämer, Tobias; Wang, Hongxin; Schilter, David; Pelmenschikov, Vladimir; van Gastel, Maurice; Neese, Frank; Rauchfuss, Thomas B.; Gee, Leland B.; Scott, Aubrey D.; Yoda, Yoshitaka; Tanaka, Yoshihito; Lubitz, Wolfgang; Cramer, Stephen P.

    2015-01-01

    The metabolism of many anaerobes relies on [NiFe]-hydrogenases, whose characterization when bound to substrates has proven non-trivial. Presented here is direct evidence for a hydride bridge in the active site of the 57Fe-labelled fully reduced Ni-R form of Desulfovibrio vulgaris Miyazaki F [NiFe]-hydrogenase. A unique ‘wagging' mode involving H− motion perpendicular to the Ni(μ-H)57Fe plane was studied using 57Fe-specific nuclear resonance vibrational spectroscopy and density functional theory (DFT) calculations. On Ni(μ-D)57Fe deuteride substitution, this wagging causes a characteristic perturbation of Fe–CO/CN bands. Spectra have been interpreted by comparison with Ni(μ-H/D)57Fe enzyme mimics [(dppe)Ni(μ-pdt)(μ-H/D)57Fe(CO)3]+ and DFT calculations, which collectively indicate a low-spin Ni(II)(μ-H)Fe(II) core for Ni-R, with H− binding Ni more tightly than Fe. The present methodology is also relevant to characterizing Fe–H moieties in other important natural and synthetic catalysts. PMID:26259066

  11. Equation of state for nuclear matter in core-collapse supernovae by the variational method

    NASA Astrophysics Data System (ADS)

    Togashi, H.; Takehara, Y.; Yamamuro, S.; Nakazato, K.; Suzuki, H.; Sumiyoshi, K.; Takano, M.

    2014-12-01

    We construct a new nuclear equation of state (EOS) for core-collapse supernova (SN) simulations using the variational many-body theory. For uniform nuclear matter, the EOS is constructed with the cluster variational method starting from the realistic nuclear Hamiltonian composed of the Argonne v18 two-body potential and the Urbana IX three-body potential. The masses and radii of neutron stars calculated with the obtained EOS at zero temperature are consistent with recent observational data. For non-uniform nuclear matter, we construct the EOS in the Thomas-Fermi approximation. In this approximation, we assume a functional form of the density distributions of protons, neutrons, and alpha-particles, and minimize the free energy density in a Wigner-Seitz cell with respect to the parameters included in the assumed density distribution functions. The phase diagram of hot nuclear matter at a typical temperature is reasonable as compared with that of the Shen EOS.

  12. Silver-silver oxide core-shell nanoparticles by femtosecond laser ablation: core and shell sizing by extinction spectroscopy

    NASA Astrophysics Data System (ADS)

    Schinca, D. C.; Scaffardi, L. B.; Videla, F. A.; Torchia, G. A.; Moreno, P.; Roso, L.

    2009-11-01

    The generation of small silver metal nanoparticles (Nps) by ultrashort pulsed laser ablation has been an active area of research in recent years due to their interest in several fields of applied research such as biotechnology and material research, in particular those with sizes smaller than 10 nm. In general, laser ablation tends to produce environmentally clean metal Nps compared with wet chemical methods. However, since silver may be oxidized in the presence of water or ethanol, core-shell silver-silver oxide (Ag-Ag2O) Nps can be formed, whose size and thickness must be determined and characterized for functionalization related to future applications. This work analyses the size characteristics of core-shell Ag-Ag2O colloid nanostructures (smaller than 10 nm) obtained by femtosecond laser ablation of solid silver targets in different liquid media (water or ethanol) through the study of their optical extinction spectra. A fit of full experimental spectrum using Mie theory allows the determination of core size and shell thickness distributions as a function of fluence. The red-shift of the plasmon peak wavelength with respect to the bare-core peak wavelength at 400 nm, produced by the oxide shell, may be easily measured even for very small thicknesses. It was found that the dominant Ag2O effective thickness is inversely proportional to the fluence, reaching a maximum of 0.2 nm for a fluence of 60 J cm-2 and a minimum of 0.04 nm for a fluence of 1000 J cm-2.

  13. Analysis of ringing due to magnetic core materials used in pulsed nuclear magnetic resonance applications

    NASA Astrophysics Data System (ADS)

    Prabhu Gaunkar, Neelam; Nlebedim, Cajetan; Hadimani, Ravi; Bulu, Irfan; Song, Yi-Qiao; Mina, Mani; Jiles, David

    Oil-field well logging instruments employ pulsed nuclear magnetic resonance (NMR) techniques and use inductive sensors to detect and evaluate the presence of particular fluids in geological formations. Acting as both signal transmitters and receivers most inductive sensors employ magnetic cores to enhance the quality and amplitude of signals recorded during field measurements. It is observed that the magnetic core also responds to the applied input signal thereby generating a signal (`ringing') that interferes with the measurement of the signals from the target formations. This causes significant noise and receiver dead time and it is beneficial to eliminate/suppress the signals received from the magnetic core. In this work a detailed analysis of the magnetic core response and in particular loading of the sensor due to the presence of the magnetic core is presented. Pulsed NMR measurements over a frequency band of 100 kHz to 1MHz are used to determine the amplitude and linewidth of the signals acquired from different magnetic core materials. A lower signal amplitude and a higher linewidth are vital since these would correspond to minimal contributions from the magnetic core to the inductive sensor response and thus leading to minimized receiver dead time.

  14. Revisiting the vortex-core tunnelling spectroscopy in YBa2Cu3O7−δ

    PubMed Central

    Bruér, Jens; Maggio-Aprile, Ivan; Jenkins, Nathan; Ristić, Zoran; Erb, Andreas; Berthod, Christophe; Fischer, Øystein; Renner, Christoph

    2016-01-01

    The observation by scanning tunnelling spectroscopy of Abrikosov vortex cores in the high-temperature superconductor YBa2Cu3O7−δ (Y123) has revealed a robust pair of electron-hole symmetric states at finite subgap energy. Their interpretation remains an open question because theory predicts a different signature in the vortex cores, characterized by a strong zero-bias conductance peak. Here, we present scanning tunnelling spectroscopy data on very homogeneous Y123 at 0.4 K revealing that the subgap features do not belong to vortices: they are actually observed everywhere along the surface with high spatial and energy reproducibility, even in the absence of magnetic field. Detailed analysis and modelling show that these states remain unpaired in the superconducting phase and belong to an incoherent channel, which contributes to the tunnelling signal in parallel with the superconducting density of states. PMID:27030516

  15. Sensitivity enhancement in high resolution stimulated Raman spectroscopy of gases with hollow-core photonic crystal fibers.

    PubMed

    Doménech, José Luis; Cueto, Maite

    2013-10-15

    We show the first experimental evidence of the sensitivity enhancement that can be achieved in high resolution stimulated Raman spectroscopy of gases using hollow-core photonic crystal fibers (HCPCFs). Using low power cw lasers and a HCPCF containing the gas, we have observed more than four orders of magnitude enhancement of sensitivity when compared with the cw single focus regime, and a similar sensitivity to that achieved in the more sensitive quasi-cw setups with multipass cells. PMID:24321926

  16. Interaction of loading pattern and nuclear data uncertainties in reactor core calculations

    SciTech Connect

    Klein, M.; Gallner, L.; Krzykacz-Hausmann, B.; Pautz, A.; Velkov, K.; Zwermann, W.

    2012-07-01

    Along with best-estimate calculations for design and safety analysis, understanding uncertainties is important to determine appropriate design margins. In this framework, nuclear data uncertainties and their propagation to full core calculations are a critical issue. To deal with this task, different error propagation techniques, deterministic and stochastic are currently developed to evaluate the uncertainties in the output quantities. Among these is the sampling based uncertainty and sensitivity software XSUSA which is able to quantify the influence of nuclear data covariance on reactor core calculations. In the present work, this software is used to investigate systematically the uncertainties in the power distributions of two PWR core loadings specified in the OECD UAM-Benchmark suite. With help of a statistical sensitivity analysis, the main contributors to the uncertainty are determined. Using this information a method is studied with which loading patterns of reactor cores can be optimized with regard to minimizing power distribution uncertainties. It is shown that this technique is able to halve the calculation uncertainties of a MOX/UOX core configuration. (authors)

  17. Development concept for a small, split-core, heat-pipe-cooled nuclear reactor

    NASA Technical Reports Server (NTRS)

    Lantz, E.; Breitwieser, R.; Niederauer, G. F.

    1974-01-01

    There have been two main deterrents to the development of semiportable nuclear reactors. One is the high development costs; the other is the inability to satisfy with assurance the questions of operational safety. This report shows how a split-core, heat-pipe cooled reactor could conceptually eliminate these deterrents, and examines and summarizes recent work on split-core, heat-pipe reactors. A concept for a small reactor that could be developed at a comparatively low cost is presented. The concept would extend the technology of subcritical radioisotope thermoelectric generators using 238 PuO2 to the evolution of critical space power reactors using 239 PuO2.

  18. Survey of odd-odd deformed nuclear spectroscopy

    SciTech Connect

    Hoff, R.W.

    1993-09-14

    In this paper, we survey the current experimental data that support assignment of rotational bands in odd-odd deformed nuclear in the rare earth and actinide regions. We present the results of a new study of {sup 170}Mt nuclear structure. In a comparing experimental and calculated Gallagher-Moszkowski matrix elements for rare earth-region nuclei, we have developed a new approach to the systematics of these matrix elements.

  19. Natural abundance carbon-13 nuclear magnetic resonance studies of histone and DNA dynamics in nucleosome cores.

    PubMed

    Hilliard, P R; Smith, R M; Rill, R L

    1986-05-01

    Natural abundance carbon-13 nuclear magnetic resonance spectra (67.9 MHz) were obtained for native nucleosome cores: cores dissociated in 2 M NaCl and 2 M NaCl, 6 M urea; and cores degraded with DNase I plus proteinase K. Phosphorus-31 NMR spectra of native and dissociated cores and core length DNA were also obtained at 60.7 MHz. The 31P resonance and spin-lattice relaxation time (T1) of DNA were only slightly affected by packaging in nucleosome cores, in agreement with other reports, but 13C resonances of DNA were essentially unobservable. The loss of DNA spectral intensity suggests that rapid internal motions of DNA sugar carbons in protein-free DNA previously demonstrated by 13C NMR methods are partly restricted in nucleosomes. The 13C spectrum of native cores contains many narrow intense resonances assigned to lysine side chain and alpha-carbons, glycine alpha-carbons, alanine alpha- and beta- carbons, and arginine side chain carbons. Several weaker resonances were also assigned. The narrow line widths, short T1 values, and non-minimal nuclear Overhauser enhancements of these resonances, including alpha- and beta-carbons, show that some terminal chain segments of histones in nucleosomes are as mobile as small random coil polypeptides. The mobile segments include about 9% of all histone residues and 25% of all lysines, but only 10% of all arginines. The compositions of these segments indicate that mobile regions are located in amino- or carboxyl-terminal sequences of two or more histones. In addition, high mobility was observed for side chain carbons of 45-50% of all lysines (delta and epsilon carbons) and about 25% of all arginines (zeta carbon) in histones (including those in mobile segments), suggesting that basic residues in terminal histone sequences are not strongly involved in nucleosome structure and may instead help stabilize higher order chromatin structure. PMID:3700380

  20. Flowing gas, non-nuclear experiments on the gas core reactor

    NASA Technical Reports Server (NTRS)

    Kunze, J. F.; Cooper, C. G.; Macbeth, P. J.

    1973-01-01

    Variations in cavity wall and injection configurations of the gas core reactor were aimed at establishing flow patterns that give a maximum of the nuclear criticality eigenvalue. Correlation with the nuclear effect was made using multigroup diffusion theory normalized by previous benchmark critical experiments. Air was used to simulate the hydrogen propellant in the flow tests, and smoked air, argon, or Freon to simulate the central nuclear fuel gas. Tests were run both in the down-firing and upfiring directions. Results showed that acceptable flow patterns with volume fraction for the simulated nuclear fuel gas and high flow rate ratios of propellant to fuel can be obtained. Using a point injector for the fuel, good flow patterns are obtained by directing the outer gas at high velocity long the cavity wall, using louvered injection schemes. Recirculation patterns were needed to stabilize the heavy central gas when different gases are used.

  1. Design and Performance of South Ukraine Nuclear Power Plant Mixed Cores

    SciTech Connect

    Abdullayev, A. M.; Baydulin, V.; Zhukov, A. I.; Latorre, Richard

    2011-09-24

    In 2010, 42 Westinghouse fuel assemblies (WFAs) were loaded into the core of South Ukraine Nuclear Power Plant (SUNPP) Unit 3 after four successful cycles with 6 Westinghouse Lead Test Assemblies. The scope of safety substantiating documents required for the regulatory approval of this mixed core was extended considerably, particularly with development and implementation of new methodologies and 3-D kinetic codes. Additional verification for all employed codes was also performed. Despite the inherent hydraulic non-uniformity of a mixed core, it was possible to demonstrate that all design and operating restrictions for three different types of fuel (TVS-M, TVSA and WFA) loaded in the core were conservatively met. This paper provides the main results from the first year of operation of the core loaded with 42 WFAs, the predicted parameters for the transition and equilibrium cycles with WFAs, comparisons of predicted versus measured core parameters, as well as the acceptable margin evaluation results for reactivity accidents using the 3-D kinetic codes. To date WFA design parameters have been confirmed by operation experience.

  2. Determination of nuclear quadrupole moments – An example of the synergy of ab initio calculations and microwave spectroscopy

    SciTech Connect

    Kellö, Vladimir

    2015-01-22

    Highly correlated scalar relativistic calculations of electric field gradients at nuclei in diatomic molecules in combination with accurate nuclear quadrupole coupling constants obtained from microwave spectroscopy are used for determination of nuclear quadrupole moments.

  3. Nuclear magnetic resonance imaging and spectroscopy of human brain function.

    PubMed Central

    Shulman, R G; Blamire, A M; Rothman, D L; McCarthy, G

    1993-01-01

    The techniques of in vivo magnetic resonance (MR) imaging and spectroscopy have been established over the past two decades. Recent applications of these methods to study human brain function have become a rapidly growing area of research. The development of methods using standard MR contrast agents within the cerebral vasculature has allowed measurements of regional cerebral blood volume (rCBV), which are activity dependent. Subsequent investigations linked the MR relaxation properties of brain tissue to blood oxygenation levels which are also modulated by consumption and blood flow (rCBF). These methods have allowed mapping of brain activity in human visual and motor cortex as well as in areas of the frontal lobe involved in language. The methods have high enough spatial and temporal sensitivity to be used in individual subjects. MR spectroscopy of proton and carbon-13 nuclei has been used to measure rates of glucose transport and metabolism in the human brain. The steady-state measurements of brain glucose concentrations can be used to monitor the glycolytic flux, whereas subsequent glucose metabolism--i.e., the flux into the cerebral glutamate pool--can be used to measure tricarboxylic acid cycle flux. Under visual stimulation the concentration of lactate in the visual cortex has been shown to increase by MR spectroscopy. This increase is compatible with an increase of anaerobic glycolysis under these conditions as earlier proposed from positron emission tomography studies. It is shown how MR spectroscopy can extend this understanding of brain metabolism. Images Fig. 1 Fig. 2 Fig. 3 PMID:8475050

  4. An assessment of coupling algorithms for nuclear reactor core physics simulations

    NASA Astrophysics Data System (ADS)

    Hamilton, Steven; Berrill, Mark; Clarno, Kevin; Pawlowski, Roger; Toth, Alex; Kelley, C. T.; Evans, Thomas; Philip, Bobby

    2016-04-01

    This paper evaluates the performance of multiphysics coupling algorithms applied to a light water nuclear reactor core simulation. The simulation couples the k-eigenvalue form of the neutron transport equation with heat conduction and subchannel flow equations. We compare Picard iteration (block Gauss-Seidel) to Anderson acceleration and multiple variants of preconditioned Jacobian-free Newton-Krylov (JFNK). The performance of the methods are evaluated over a range of energy group structures and core power levels. A novel physics-based approximation to a Jacobian-vector product has been developed to mitigate the impact of expensive on-line cross section processing steps. Numerical simulations demonstrating the efficiency of JFNK and Anderson acceleration relative to standard Picard iteration are performed on a 3D model of a nuclear fuel assembly. Both criticality (k-eigenvalue) and critical boron search problems are considered.

  5. An assessment of coupling algorithms for nuclear reactor core physics simulations

    DOE PAGESBeta

    Hamilton, Steven; Berrill, Mark; Clarno, Kevin; Pawlowski, Roger; Toth, Alex; Kelley, C. T.; Evans, Thomas; Philip, Bobby

    2016-04-01

    Here we evaluate the performance of multiphysics coupling algorithms applied to a light water nuclear reactor core simulation. The simulation couples the k-eigenvalue form of the neutron transport equation with heat conduction and subchannel flow equations. We compare Picard iteration (block Gauss–Seidel) to Anderson acceleration and multiple variants of preconditioned Jacobian-free Newton–Krylov (JFNK). The performance of the methods are evaluated over a range of energy group structures and core power levels. A novel physics-based approximation to a Jacobian-vector product was developed to mitigate the impact of expensive on-line cross section processing steps. Numerical simulations demonstrating the efficiency of JFNK andmore » Anderson acceleration relative to standard Picard iteration are performed on a 3D model of a nuclear fuel assembly. Finally, both criticality (k-eigenvalue) and critical boron search problems are considered.« less

  6. Comparative assessment of out-of-core nuclear thermionic power systems

    NASA Technical Reports Server (NTRS)

    Estabrook, W. C.; Koenig, D. R.; Prickett, W. Z.

    1975-01-01

    The hardware selections available for fabrication of a nuclear electric propulsion stage for planetary exploration were explored. The investigation was centered around a heat-pipe-cooled, fast-spectrum nuclear reactor for an out-of-core power conversion system with sufficient detail for comparison with the in-core system studies completed previously. A survey of competing power conversion systems still indicated that the modular reliability of thermionic converters makes them the desirable choice to provide the 240-kWe end-of-life power for at least 20,000 full power hours. The electrical energy will be used to operate a number of mercury ion bombardment thrusters with a specific impulse in the range of about 4,000-5,000 seconds.

  7. Dynamic analysis of an open-cycle gas-core nuclear rocket

    NASA Technical Reports Server (NTRS)

    Turney, G. E.; Kieffer, A. W.

    1973-01-01

    Reactivity and flow disturbances were used to investigate the transient response of a conceptual open cycle gas core nuclear rocket engine. The disturbances were made with the system initially operating at its steady state design point. Results of the study show that the feedbacks associated with the propellant density and propellant temperature have a dominant effect on the response of the system. Furthermore, there appears to be a rather limited range of values of these propellant feedback coefficients for which the gas core nuclear rocket has a stable response. The system was rather insensitive to a fuel flow rate disturbance, whereas a similar disturbance in the propellant flow rate caused large changes in reactor power. For a similar disturbance in the propellant flow rate caused large changes in reactor power. For most reactivity and flow rate disturbances, the response showed oscillations of various intensity.

  8. Gaseous core nuclear-driven engines featuring a self-shutoff mechanism to provide nuclear safety

    SciTech Connect

    Heidrich, J.; Pettibone, J.; Chow, Tze-Show; Condit, R.; Zimmerman, G.

    1991-11-01

    Nuclear driven engines are described that could be run in either pulsed or steady state modes. In the pulsed mode nuclear energy is released by fissioning of uranium or plutonium in a supercritical assembly of fuel and working gas. In a steady state mode a fuel-gas mixture is injected into a magnetic nozzle where it is compressed into a critical state and produces energy. Engine performance is modeled using a code that calculates hydrodynamics, fission energy production, and neutron transport self-consistently. Results are given demonstrating a large negative temperature coefficient that produces self-shutoff or control of energy production. Reduced fission product inventory and the self-shutoff provide inherent nuclear safety. It is expected that nuclear engine reactor units could be scaled up from about 100 MW{sub e}.

  9. Application of X-ray Absorption Spectroscopy to the study of nuclear structural materials

    NASA Astrophysics Data System (ADS)

    Liu, Shanshan

    One of key technologies for the next generation nuclear systems are advanced materials, including high temperature structural materials, fast neutron resistance core materials and so on. Local structure determination in these systems, which often are crystallographically intractable, is critical to gaining an understanding of their properties. In this thesis, X-ray Absorption Spectroscopy (XAS), including Extended X-ray Absorption Fine Structure (EXAFS) and X-ray Absorption Near Edge Structure (XANES), is used to examine the geometric and electronic structure of nuclear structural materials under varying conditions. The thesis is divided into two main sections. The first examines the structural analysis of nanostructured ferritic alloys (NFA) which are dispersion strengthened by an ultra high density of Y-Ti-O enriched nano-features, resulting in remarkable high temperature creep strength and radiation damage resistance. Titanium and Yttrium K-edge XAS shows commercial alloys MA957 and J12YWT more closely resemble the as received Fe-14Cr-3W-0.4Ti (wt. %) powders, and mechanically alloyed (MA) powders with 0.25Y2O3 (wt. %). It shows that a significant fraction of substitutional Ti remains dissolved in the (BCC) ferrite matrix. In contrast, annealed powders and hot isostatic press (HIP) consolidated alloys show high temperature heat treatments shift the Y and Ti to more oxidized states that are consistent with combinations of Y2Ti2O7 and, especially, TiO. The second section describes corrosion studies of Pb with 316L stainless steel, molybdenum and spinet (MgAl2O4) at high temperature by XAS. The corrosion of fuel cladding and structural materials by liquid lead at elevated temperatures is an issue that must be considered when designing advanced nuclear systems and high-power spallation neutron targets. The results of ex-situ studies show that a Mo substrate retained a smooth and less corroded surface than 316L stainless steel sample at elevated temperature. In

  10. Near-Edge X-Ray Absorption Fine Structures Revealed in Core Ionization Photoelectron Spectroscopy

    NASA Astrophysics Data System (ADS)

    Nakano, M.; Selles, P.; Lablanquie, P.; Hikosaka, Y.; Penent, F.; Shigemasa, E.; Ito, K.; Carniato, S.

    2013-09-01

    Simultaneous core ionization and core excitation have been observed in the C2H2n (n=1, 2, 3) molecular series using synchrotron radiation and a magnetic bottle time-of-flight electron spectrometer. Rich satellite patterns corresponding to (K-2V) core excited states of the K-1 molecular ions have been identified by detecting in coincidence the photoelectron with the two Auger electrons resulting from the double core hole relaxation. A theoretical model is proposed providing absolute photoionization cross sections and revealing clear signatures of direct (monopolar) and conjugate (dipolar near-edge x-ray absorption fine structure) shakeup lines of comparable magnitude.

  11. Near-edge x-ray absorption fine structures revealed in core ionization photoelectron spectroscopy.

    PubMed

    Nakano, M; Selles, P; Lablanquie, P; Hikosaka, Y; Penent, F; Shigemasa, E; Ito, K; Carniato, S

    2013-09-20

    Simultaneous core ionization and core excitation have been observed in the C(2)H(2n) (n=1, 2, 3) molecular series using synchrotron radiation and a magnetic bottle time-of-flight electron spectrometer. Rich satellite patterns corresponding to (K(-2)V) core excited states of the K(-1) molecular ions have been identified by detecting in coincidence the photoelectron with the two Auger electrons resulting from the double core hole relaxation. A theoretical model is proposed providing absolute photoionization cross sections and revealing clear signatures of direct (monopolar) and conjugate (dipolar near-edge x-ray absorption fine structure) shakeup lines of comparable magnitude. PMID:24093255

  12. Concepts in Biochemistry: Nuclear Magnetic Resonance Spectroscopy in Biochemistry.

    ERIC Educational Resources Information Center

    Cheatham, Steve

    1989-01-01

    Discusses the nature of a nuclear magnetic resonance (NMR) experiment, the techniques used, the types of structural and dynamic information obtained, and how one can view and refine structures using computer graphics techniques in combination with NMR data. Provides several spectra and a computer graphics image from B-form DNA. (MVL)

  13. Alkaline Earth Core Level Photoemission Spectroscopy of High-Temperature Superconductors

    NASA Technical Reports Server (NTRS)

    Vasquez, R.

    1993-01-01

    This paper examines photoemission measurements of the alkaline Earth core levels of high-temperature superconductors and related materials, models that seek to explain the large negative shifts observed relative to the corresponding alkaline Earth metals, and the effect of lattice site disorder on the core level spectra and the presence or absence of intrinsic surface peaks.

  14. Design of a Resistively Heated Thermal Hydraulic Simulator for Nuclear Rocket Reactor Cores

    NASA Technical Reports Server (NTRS)

    Litchford, Ron J.; Foote, John P.; Ramachandran, Narayanan; Wang, Ten-See; Anghaie, Samim

    2007-01-01

    A preliminary design study is presented for a non-nuclear test facility which uses ohmic heating to replicate the thermal hydraulic characteristics of solid core nuclear reactor fuel element passages. The basis for this testing capability is a recently commissioned nuclear thermal rocket environments simulator, which uses a high-power, multi-gas, wall-stabilized constricted arc-heater to produce high-temperature pressurized hydrogen flows representative of reactor core environments, excepting radiation effects. Initially, the baseline test fixture for this non-nuclear environments simulator was configured for long duration hot hydrogen exposure of small cylindrical material specimens as a low cost means of evaluating material compatibility. It became evident, however, that additional functionality enhancements were needed to permit a critical examination of thermal hydraulic effects in fuel element passages. Thus, a design configuration was conceived whereby a short tubular material specimen, representing a fuel element passage segment, is surrounded by a backside resistive tungsten heater element and mounted within a self-contained module that inserts directly into the baseline test fixture assembly. With this configuration, it becomes possible to create an inward directed radial thermal gradient within the tubular material specimen such that the wall-to-gas heat flux characteristics of a typical fuel element passage are effectively simulated. The results of a preliminary engineering study for this innovative concept are fully summarized, including high-fidelity multi-physics thermal hydraulic simulations and detailed design features.

  15. Coexistence of bound and virtual-bound states in shallow-core to valence x-ray spectroscopies

    NASA Astrophysics Data System (ADS)

    Sen Gupta, Subhra; Bradley, J. A.; Haverkort, M. W.; Seidler, G. T.; Tanaka, A.; Sawatzky, G. A.

    2011-08-01

    With the example of the non-resonant inelastic x-ray scattering (NIXS) at the O45 edges (5d→5f) of the actinides, we develop the theory for shallow-core to valence excitations, where the multiplet spread is larger than the core-hole attraction, such as if the core and valence orbitals have the same principal quantum number. This involves very strong final state configuration interaction (CI), which manifests itself as huge reductions in the Slater-Condon integrals, needed to explain the spectral shapes within a simple renormalized atomic multiplet theory. But more importantly, this results in a cross-over from bound (excitonic) to virtual-bound excited states with increasing energy, within the same core-valance multiplet structure, and in large differences between the dipole and high-order multipole transitions, as observed in NIXS. While the bound states (often higher multipole allowed) can still be modeled using local cluster-like models, the virtual-bound resonances (often dipole-allowed) cannot be interpreted within such local approaches. This is in stark contrast to the more familiar core-valence transitions between different principal quantum number shells, where all the final excited states almost invariably form bound core-hole excitons and can be modeled using local approaches. The possibility of observing giant multipole resonances for systems with high angular momentum ground states is also predicted. The theory is important to obtain ground state information from core-level x-ray spectroscopies of strongly correlated transition metal, rare-earth, and actinide systems.

  16. Neutrino-pair emission from nuclear de-excitation in core-collapse supernova simulations

    NASA Astrophysics Data System (ADS)

    Fischer, T.; Langanke, K.; Martínez-Pinedo, G.

    2013-12-01

    We study the impact of neutrino-pair production from the de-excitation of highly excited heavy nuclei on core-collapse supernova simulations, following the evolution up to several 100 ms after core bounce. Our study is based on the agile-boltztransupernova code, which features general relativistic radiation hydrodynamics and accurate three-flavor Boltzmann neutrino transport in spherical symmetry. In our simulations the nuclear de-excitation process is described in two different ways. At first we follow the approach proposed by Fuller and Meyer [Astrophys. J.AJLEEY0004-637X10.1086/170317 376, 701 (1991)], which is based on strength functions derived in the framework of the nuclear Fermi-gas model of noninteracting nucleons. Second, we parametrize the allowed and forbidden strength distributions in accordance with measurements for selected nuclear ground states. We determine the de-excitation strength by applying the Brink hypothesis and detailed balance. For both approaches, we find that nuclear de-excitation has no effect on the supernova dynamics. However, we find that nuclear de-excitation is the leading source for the production of electron antineutrinos as well as heavy-lepton-flavor (anti)neutrinos during the collapse phase. At sufficiently high densities, the associated neutrino spectra are influenced by interactions with the surrounding matter, making proper simulations of neutrino transport important for the determination of the neutrino-energy loss rate. We find that, even including nuclear de-excitations, the energy loss during the collapse phase is overwhelmingly dominated by electron neutrinos produced by electron capture.

  17. In vivo nuclear magnetic resonance spectroscopy of a transplanted brain tumour.

    PubMed Central

    Koeze, T. H.; Lantos, P. L.; Iles, R. A.; Gordon, R. E.

    1984-01-01

    In vivo nuclear magnetic resonance 31P spectroscopy was used to demonstrate different patterns of high energy phosphate metabolism in a group of malignant tumours of glial origin. In some of the more malignant tumours a decrease in adenylate energy charge was found. This was associated with a decline in phosphocreatine and an increase in sugar phosphate and inorganic phosphorus. PMID:6704312

  18. Quantitative Analysis of Nail Polish Remover Using Nuclear Magnetic Resonance Spectroscopy Revisited

    ERIC Educational Resources Information Center

    Hoffmann, Markus M.; Caccamis, Joshua T.; Heitz, Mark P.; Schlecht, Kenneth D.

    2008-01-01

    Substantial modifications are presented for a previously described experiment using nuclear magnetic resonance (NMR) spectroscopy to quantitatively determine analytes in commercial nail polish remover. The revised experiment is intended for a second- or third-year laboratory course in analytical chemistry and can be conducted for larger laboratory…

  19. The Sensitivity of Core-collapse Supernovae to Nuclear Electron Capture

    NASA Astrophysics Data System (ADS)

    Sullivan, Chris; O'Connor, Evan; Zegers, Remco G. T.; Grubb, Thomas; Austin, Sam M.

    2016-01-01

    A weak-rate library aimed at investigating the sensitivity of astrophysical environments to variations of electron-capture rates on medium-heavy nuclei has been developed. With this library, the sensitivity of the core-collapse and early post-bounce phases of core-collapse supernovae to nuclear electron capture is examined. The rates are adjusted by factors consistent with uncertainties indicated by comparing theoretical rates to those deduced from charge-exchange and β-decay measurements. To ensure a model-independent assessment, sensitivity studies across a comprehensive set of progenitors and equations of state are performed. We find a +16/-4% range in the mass of the inner core at shock formation and a ±20% range of peak {ν }e luminosity during the deleptonization burst. These ranges are five times as large as those seen from a separate progenitor study, where we evaluate the sensitivity of these parameters to 32 presupernova models. Additionally, the simulations are found to be more sensitive to a reduction in electron-capture rates than an enhancement, and specifically to the reduction in rates for neutron-rich nuclei near the N = 50 closed neutron shell. As measurements for medium-heavy (A> 65) and neutron-rich nuclei are sparse, and because accurate theoretical models that account for nuclear structure considerations of individual nuclei are not readily available, rates for these nuclei may be overestimated. If more accurate estimates confirm this, results from this study indicate that significant changes to the core-collapse trajectory are expected. For this reason, experimental and theoretical efforts should focus on this region of the nuclear chart.

  20. Nuclear spectroscopy with Geant4: Proton and neutron emission & radioactivity

    NASA Astrophysics Data System (ADS)

    Sarmiento, L. G.; Rudolph, D.

    2016-07-01

    With the aid of a novel combination of existing equipment - JYFLTRAP and the TASISpec decay station - it is possible to perform very clean quantum-state selective, high-resolution particle-γ decay spectroscopy. We intend to study the determination of the branching ratio of the ℓ = 9 proton emission from the Iπ = 19/2-, 3174-keV isomer in the N = Z - 1 nucleus 53Co. The study aims to initiate a series of similar experiments along the proton dripline, thereby providing unique insights into "open quantum systems". The technique has been pioneered in case studies using SHIPTRAP and TASISpec at GSI. Newly available radioactive decay modes in Geant4 simulations are going to corroborate the anticipated experimental results.

  1. Structure Determination of Membrane Proteins by Nuclear Magnetic Resonance Spectroscopy

    NASA Astrophysics Data System (ADS)

    Opella, Stanley J.

    2013-06-01

    Many biological membranes consist of 50% or more (by weight) membrane proteins, which constitute approximately one-third of all proteins expressed in biological organisms. Helical membrane proteins function as receptors, enzymes, and transporters, among other unique cellular roles. Additionally, most drugs have membrane proteins as their receptors, notably the superfamily of G protein-coupled receptors with seven transmembrane helices. Determining the structures of membrane proteins is a daunting task because of the effects of the membrane environment; specifically, it has been difficult to combine biologically compatible environments with the requirements for the established methods of structure determination. There is strong motivation to determine the structures in their native phospholipid bilayer environment so that perturbations from nonnatural lipids and phases do not have to be taken into account. At present, the only method that can work with proteins in liquid crystalline phospholipid bilayers is solid-state NMR spectroscopy.

  2. Structure Determination of Membrane Proteins by Nuclear Magnetic Resonance Spectroscopy

    PubMed Central

    Opella, Stanley J.

    2014-01-01

    Many biological membranes consist of 50% or more (by weight) membrane proteins, which constitute approximately one-third of all proteins expressed in biological organisms. Helical membrane proteins function as receptors, enzymes, and transporters, among other unique cellular roles. Additionally, most drugs have membrane proteins as their receptors, notably the superfamily of G protein–coupled receptors with seven transmembrane helices. Determining the structures of membrane proteins is a daunting task because of the effects of the membrane environment; specifically, it has been difficult to combine biologically compatible environments with the requirements for the established methods of structure determination. There is strong motivation to determine the structures in their native phospholipid bilayer environment so that perturbations from nonnatural lipids and phases do not have to be taken into account. At present, the only method that can work with proteins in liquid crystalline phospholipid bilayers is solid-state NMR spectroscopy. PMID:23577669

  3. Decay chains and photofission investigation based on nuclear spectroscopy of highly enriched uranium sample.

    PubMed

    Sibczynski, P; Kownacki, J; Syntfeld-Kazuch, A; Moszynski, M; Kisielinski, M; Czarnacki, W; Kosinski, K; Matusiak, M; Klimasz, M; Kowalczyk, M; Abraham, T; Mierzejewski, J; Srebrny, J

    2013-12-01

    Nuclear spectroscopy experiments were performed for 100g metallic uranium rod enriched to 93% (235)U, in order to establish and characterize the most prominent γ-rays in the natural decay series and photofission reaction. Single γ-ray spectra and γ-γ coincidences measurements were conducted before irradiation. The uranium sample was subsequently irradiated with 15 MeV bremsstrahlung photons. Relative intensities of γ-lines and several values of half-lives of the fission fragments decays were determined. The obtained information can be utilized in detection of smuggled nuclear materials and characterization of bulky nuclear waste packages. PMID:24013389

  4. Optical spectroscopy and energy-filtered transmission electron microscopy of surface plasmons in core-shell nanoparticles.

    SciTech Connect

    Eggeman, A. S.; Dobson, P. J.; Petford-Long, A. K.; Materials Science Division; Oxford Univ.

    2007-01-01

    Silica-silver core-shell nanoparticles were produced using colloidal chemistry methods. Surface plasmon resonances in the silver shells were investigated using optical absorption measurements in ultraviolet-to-visible (UV-vis) spectroscopy and the effect of shell thickness on the wavelength of the resonance was noted. Further studies of the resonances were performed using electron-energy-loss spectroscopy (EELS) and energy-filtered transmission electron microscope (EFTEM) imaging. The plasmon resonance was seen in an EELS spectrum at an energy corresponding to the wavelengths measured in an UV-vis spectrophotometer, and EFTEM images confirmed that the resonance was indeed localized at the surface of the silver shell. Further features were seen in the EELS spectrum and confirmed as bulk-plasmon features of silica and the carbon support film in the TEM specimen.

  5. Compact supercontinuum sources based on tellurite suspended core fibers for absorption spectroscopy beyond 2 μm

    NASA Astrophysics Data System (ADS)

    Strutynski, Clément; Picot-Clémente, Jérémy; Désévédavy, Frédéric; Jules, Jean-Charles; Gadret, Grégory; Kibler, Bertrand; Smektala, Frédéric

    2016-07-01

    We present the experimental development of two compact supercontinuum laser sources based on tellurite suspended core fibers with and without tapering post-processing. The pumping scheme makes use of commercially-available nJ-level femtosecond and picosecond fiber lasers at 1.56 and 2.06 μm respectively. The resulting spectral broadening that occurs in a few tens-of-centimeters of tellurite fiber allows coverage of the convenient molecular fingerprint region between 2 and 3 μm. It is then exploited in a proof-of-principle experiment for methane spectroscopy measurements in the mid-infrared by means of the supercontinuum absorption spectroscopy technique. Experimental results are in fairly good agreement with both numerical simulations of supercontinuum generation and spectroscopic predictions of the HITRAN database.

  6. A portable fluorescence spectroscopy imaging system for automated root phenotyping in soil cores in the field.

    PubMed

    Wasson, Anton; Bischof, Leanne; Zwart, Alec; Watt, Michelle

    2016-02-01

    Root architecture traits are a target for pre-breeders. Incorporation of root architecture traits into new cultivars requires phenotyping. It is attractive to rapidly and directly phenotype root architecture in the field, avoiding laboratory studies that may not translate to the field. A combination of soil coring with a hydraulic push press and manual core-break counting can directly phenotype root architecture traits of depth and distribution in the field through to grain development, but large teams of people are required and labour costs are high with this method. We developed a portable fluorescence imaging system (BlueBox) to automate root counting in soil cores with image analysis software directly in the field. The lighting system was optimized to produce high-contrast images of roots emerging from soil cores. The correlation of the measurements with the root length density of the soil cores exceeded the correlation achieved by human operator measurements (R (2)=0.68 versus 0.57, respectively). A BlueBox-equipped team processed 4.3 cores/hour/person, compared with 3.7 cores/hour/person for the manual method. The portable, automated in-field root architecture phenotyping system was 16% more labour efficient, 19% more accurate, and 12% cheaper than manual conventional coring, and presents an opportunity to directly phenotype root architecture in the field as part of pre-breeding programs. The platform has wide possibilities to capture more information about root health and other root traits in the field. PMID:26826219

  7. A portable fluorescence spectroscopy imaging system for automated root phenotyping in soil cores in the field

    PubMed Central

    Wasson, Anton; Bischof, Leanne; Zwart, Alec; Watt, Michelle

    2016-01-01

    Root architecture traits are a target for pre-breeders. Incorporation of root architecture traits into new cultivars requires phenotyping. It is attractive to rapidly and directly phenotype root architecture in the field, avoiding laboratory studies that may not translate to the field. A combination of soil coring with a hydraulic push press and manual core-break counting can directly phenotype root architecture traits of depth and distribution in the field through to grain development, but large teams of people are required and labour costs are high with this method. We developed a portable fluorescence imaging system (BlueBox) to automate root counting in soil cores with image analysis software directly in the field. The lighting system was optimized to produce high-contrast images of roots emerging from soil cores. The correlation of the measurements with the root length density of the soil cores exceeded the correlation achieved by human operator measurements (R 2=0.68 versus 0.57, respectively). A BlueBox-equipped team processed 4.3 cores/hour/person, compared with 3.7 cores/hour/person for the manual method. The portable, automated in-field root architecture phenotyping system was 16% more labour efficient, 19% more accurate, and 12% cheaper than manual conventional coring, and presents an opportunity to directly phenotype root architecture in the field as part of pre-breeding programs. The platform has wide possibilities to capture more information about root health and other root traits in the field. PMID:26826219

  8. Evaluation for 4S core nuclear design method through integration of benchmark data

    SciTech Connect

    Nagata, A.; Tsuboi, Y.; Moriki, Y.; Kawashima, M.

    2012-07-01

    The 4S is a sodium-cooled small fast reactor which is reflector-controlled for operation through core lifetime about 30 years. The nuclear design method has been selected to treat neutron leakage with high accuracy. It consists of a continuous-energy Monte Carlo code, discrete ordinate transport codes and JENDL-3.3. These two types of neutronic analysis codes are used for the design in a complementary manner. The accuracy of the codes has been evaluated by analysis of benchmark critical experiments and the experimental reactor data. The measured data used for the evaluation is critical experimental data of the FCA XXIII as a physics mockup assembly of the 4S core, FCA XVI, FCA XIX, ZPR, and data of experimental reactor JOYO MK-1. Evaluated characteristics are criticality, reflector reactivity worth, power distribution, absorber reactivity worth, and sodium void worth. A multi-component bias method was applied, especially to improve the accuracy of sodium void reactivity worth. As the result, it has been confirmed that the 4S core nuclear design method provides good accuracy, and typical bias factors and their uncertainties are determined. (authors)

  9. One- and Two-Dimensional Nuclear Magnetic Resonance Spectroscopy with a Diamond Quantum Sensor.

    PubMed

    Boss, J M; Chang, K; Armijo, J; Cujia, K; Rosskopf, T; Maze, J R; Degen, C L

    2016-05-13

    We report on Fourier spectroscopy experiments performed with near-surface nitrogen-vacancy centers in a diamond chip. By detecting the free precession of nuclear spins rather than applying a multipulse quantum sensing protocol, we are able to unambiguously identify the NMR species devoid of harmonics. We further show that, by engineering different Hamiltonians during free precession, the hyperfine coupling parameters as well as the nuclear Larmor frequency can be selectively measured with up to five digits of precision. The protocols can be combined to demonstrate two-dimensional Fourier spectroscopy. Presented techniques will be useful for mapping nuclear coordinates in molecules deposited on diamond sensor chips, en route to imaging their atomic structure. PMID:27232045

  10. Nuclear magnetic resonance detection and spectroscopy of single proteins using quantum logic.

    PubMed

    Lovchinsky, I; Sushkov, A O; Urbach, E; de Leon, N P; Choi, S; De Greve, K; Evans, R; Gertner, R; Bersin, E; Müller, C; McGuinness, L; Jelezko, F; Walsworth, R L; Park, H; Lukin, M D

    2016-02-19

    Nuclear magnetic resonance spectroscopy is a powerful tool for the structural analysis of organic compounds and biomolecules but typically requires macroscopic sample quantities. We use a sensor, which consists of two quantum bits corresponding to an electronic spin and an ancillary nuclear spin, to demonstrate room temperature magnetic resonance detection and spectroscopy of multiple nuclear species within individual ubiquitin proteins attached to the diamond surface. Using quantum logic to improve readout fidelity and a surface-treatment technique to extend the spin coherence time of shallow nitrogen-vacancy centers, we demonstrate magnetic field sensitivity sufficient to detect individual proton spins within 1 second of integration. This gain in sensitivity enables high-confidence detection of individual proteins and allows us to observe spectral features that reveal information about their chemical composition. PMID:26847544

  11. Nuclear magnetic resonance detection and spectroscopy of single proteins using quantum logic

    NASA Astrophysics Data System (ADS)

    Lovchinsky, I.; Sushkov, A. O.; Urbach, E.; de Leon, N. P.; Choi, S.; De Greve, K.; Evans, R.; Gertner, R.; Bersin, E.; Müller, C.; McGuinness, L.; Jelezko, F.; Walsworth, R. L.; Park, H.; Lukin, M. D.

    2016-02-01

    Nuclear magnetic resonance spectroscopy is a powerful tool for the structural analysis of organic compounds and biomolecules but typically requires macroscopic sample quantities. We use a sensor, which consists of two quantum bits corresponding to an electronic spin and an ancillary nuclear spin, to demonstrate room temperature magnetic resonance detection and spectroscopy of multiple nuclear species within individual ubiquitin proteins attached to the diamond surface. Using quantum logic to improve readout fidelity and a surface-treatment technique to extend the spin coherence time of shallow nitrogen-vacancy centers, we demonstrate magnetic field sensitivity sufficient to detect individual proton spins within 1 second of integration. This gain in sensitivity enables high-confidence detection of individual proteins and allows us to observe spectral features that reveal information about their chemical composition.

  12. One- and Two-Dimensional Nuclear Magnetic Resonance Spectroscopy with a Diamond Quantum Sensor

    NASA Astrophysics Data System (ADS)

    Boss, J. M.; Chang, K.; Armijo, J.; Cujia, K.; Rosskopf, T.; Maze, J. R.; Degen, C. L.

    2016-05-01

    We report on Fourier spectroscopy experiments performed with near-surface nitrogen-vacancy centers in a diamond chip. By detecting the free precession of nuclear spins rather than applying a multipulse quantum sensing protocol, we are able to unambiguously identify the NMR species devoid of harmonics. We further show that, by engineering different Hamiltonians during free precession, the hyperfine coupling parameters as well as the nuclear Larmor frequency can be selectively measured with up to five digits of precision. The protocols can be combined to demonstrate two-dimensional Fourier spectroscopy. Presented techniques will be useful for mapping nuclear coordinates in molecules deposited on diamond sensor chips, en route to imaging their atomic structure.

  13. Chemical concentration measurement in blood serum and urine samples using liquid-core optical fiber Raman spectroscopy

    NASA Astrophysics Data System (ADS)

    Qi, Dahu; Berger, Andrew J.

    2007-04-01

    We report measurements of chemical concentrations in clinical blood serum and urine samples using liquid-core optical fiber (LCOF) Raman spectroscopy to increase the collected signal strength. Both Raman and absorption spectra were acquired in the near-infrared region using the LCOF geometry. Spectra of 71 blood serum and 61 urine samples were regressed via partial least squares against reference analyzer values. Significant correlation was found between predicted and reference concentrations for 13 chemicals. Using absorption data to normalize the LCOF enhancement made the results more accurate. The experimental geometry is well suited for high-volume and automated chemical analysis of clear biofluids.

  14. The behavior of ANGRA 2 nuclear power plant core for a small break LOCA simulated with RELAP5 code

    NASA Astrophysics Data System (ADS)

    Sabundjian, Gaianê; Andrade, Delvonei A.; Belchior, Antonio, Jr.; da Silva Rocha, Marcelo; Conti, Thadeu N.; Torres, Walmir M.; Macedo, Luiz A.; Umbehaun, Pedro E.; Mesquita, Roberto N.; Masotti, Paulo H. F.; de Souza Lima, Ana Cecília

    2013-05-01

    This work discusses the behavior of Angra 2 nuclear power plant core, for a postulate Loss of Coolant Accident (LOCA) in the primary circuit for Small Break Loss Of Coolant Accident (SBLOCA). A pipe break of the hot leg Emergency Core Cooling System (ECCS) was simulated with RELAP 5 code. The considered rupture area is 380 cm2, which represents 100% of the ECCS pipe flow area. Results showed that the cooling is enough to guarantee the integrity of the reactor core.

  15. Method of using a nuclear magnetic resonance spectroscopy standard

    DOEpatents

    Spicer, Leonard D.; Bennett, Dennis W.; Davis, Jon F.

    1985-01-01

    (CH.sub.3).sub.3 SiNSO is produced by the reaction of ((CH.sub.3).sub.3 Si).sub.2 NH with SO.sub.2. Also produced in the reaction are ((CH.sub.3).sub.3 Si).sub.2 O and a new solid compound [NH.sub.4 ][(CH.sub.3).sub.3 SiOSO.sub.2 ]. Both (CH.sub.3).sub.3 SiNSO and [NH.sub.4 ][(CH.sub.3).sub.3 SiOSO.sub.2 ] have fluorescent properties. The reaction of the subject invention is used in a method of measuring the concentration of SO.sub.2 pollutants in gases. By the method, a sample of gas is bubbled through a solution of ((CH.sub.3).sub.3 Si).sub.2 NH, whereby any SO.sub.2 present in the gas will react to produce the two fluorescent products. The measured fluorescence of these products can then be used to calculate the concentration of SO.sub.2 in the original gas sample. The solid product [NH.sub.4 ][(CH.sub.3).sub.3 SiOSO.sub.2 ] may be used as a standard in solid state NMR spectroscopy, wherein the resonance peaks of either .sup.1 H, .sup.13 C, .sup.15 N, or .sup.29 Si may be used as a reference.

  16. Chemical structures in pyrodextrin determined by nuclear magnetic resonance spectroscopy.

    PubMed

    Bai, Yanjie; Shi, Yong-Cheng

    2016-10-20

    Glycosidic linkages in a pyrodextrin were identified by NMR spectroscopy for the first time. Pyrodextrin was prepared by slurrying waxy maize starch at pH 3, filtering and drying at 40°C to 10-15% moisture content, then heating at 170°C for 4h. (1)H and (13)C NMR resonances of the pyrodextrin were assigned with the assistance of 2D techniques including COSY, TOCSY, HSQC, and HMBC, all measured on a 500MHz instrument. During dextrinization, native waxy maize starch was hydrolyzed and extensively branched with new glycosidic linkages. The resulting pyrodextrin became 100% soluble in water and produced lower viscosity solutions at 30% solids. There were only 1.2% reducing ends (α-form) detected in the pyrodextrin, but 1,6-anhydro-β-d-glucopyranosyl units accounted for 5.2% of repeating units and they were thought to be at the potential reducing end. New glycosyl linkages including α-1,6, β-1,6, α-1,2, and β-1,2 were identified. The total non-α-1,4 linkages in the pyrodextrin were about 17.8% compared to 5.8% in a maltodextrin prepared by α-amylase digestion. Transglycosidation and depolymerization occurred during dextrinization, and the resulting pyrodextrin was highly branched. PMID:27474585

  17. The scalability of OTR (out-of-core thermionic reactor) space nuclear power systems

    SciTech Connect

    Gallup, D.R.

    1990-03-01

    In this document, masses of the STAR-C power system and an optimized out-of-core thermionic reactor (OTR) power system versus power level are investigated. The impacts of key system parameters on system performance are also addressed. The STAR-C is mass competitive below about 15 kWe, but at higher power levels the scalability is relatively poor. An optimized OR is the least massive space nuclear power system below 25 kWe, and scales well to 50 kWe. The system parameters that have a significant impact on the scalability of the STAR-C are core thermal flux, thermionic converter efficiency, and core length to diameter ratio. The emissivity of the core surface is shown to be a relatively unimportant parameter. For an optimized OR power system, the most significant system parameter is the maximum allowable fuel temperature. It is also shown that if advanced radiation-hardened electronics are used in the satellite payload, a very large mass savings is realized. 10 refs., 23 figs., 7 tabs.

  18. Multiphysics Computational Analysis of a Solid-Core Nuclear Thermal Engine Thrust Chamber

    NASA Technical Reports Server (NTRS)

    Wang, Ten-See; Canabal, Francisco; Cheng, Gary; Chen, Yen-Sen

    2007-01-01

    The objective of this effort is to develop an efficient and accurate computational heat transfer methodology to predict thermal, fluid, and hydrogen environments for a hypothetical solid-core, nuclear thermal engine - the Small Engine. In addition, the effects of power profile and hydrogen conversion on heat transfer efficiency and thrust performance were also investigated. The computational methodology is based on an unstructured-grid, pressure-based, all speeds, chemically reacting, computational fluid dynamics platform, while formulations of conjugate heat transfer were implemented to describe the heat transfer from solid to hydrogen inside the solid-core reactor. The computational domain covers the entire thrust chamber so that the afore-mentioned heat transfer effects impact the thrust performance directly. The result shows that the computed core-exit gas temperature, specific impulse, and core pressure drop agree well with those of design data for the Small Engine. Finite-rate chemistry is very important in predicting the proper energy balance as naturally occurring hydrogen decomposition is endothermic. Locally strong hydrogen conversion associated with centralized power profile gives poor heat transfer efficiency and lower thrust performance. On the other hand, uniform hydrogen conversion associated with a more uniform radial power profile achieves higher heat transfer efficiency, and higher thrust performance.

  19. Analysis of ringing effects due to magnetic core materials in pulsed nuclear magnetic resonance circuits

    SciTech Connect

    Prabhu Gaunkar, N. Bouda, N. R. Y.; Nlebedim, I. C.; Hadimani, R. L.; Mina, M.; Jiles, D. C.; Bulu, I.; Ganesan, K.; Song, Y. Q.

    2015-05-07

    This work presents investigations and detailed analysis of ringing in a non-resonant pulsed nuclear magnetic resonance (NMR) circuit. Ringing is a commonly observed phenomenon in high power switching circuits. The oscillations described as ringing impede measurements in pulsed NMR systems. It is therefore desirable that those oscillations decay fast. It is often assumed that one of the causes behind ringing is the role of the magnetic core used in the antenna (acting as an inductive load). We will demonstrate that an LRC subcircuit is also set-up due to the inductive load and needs to be considered due to its parasitic effects. It is observed that the parasitics associated with the inductive load become important at certain frequencies. The output response can be related to the response of an under-damped circuit and to the magnetic core material. This research work demonstrates and discusses ways of controlling ringing by considering interrelationships between different contributing factors.

  20. Optical Spectroscopy of Luminous Infrared Galaxies. I. Nuclear Data

    NASA Astrophysics Data System (ADS)

    Kim, D.-C.; Sanders, D. B.; Veilleux, S.; Mazzarella, J. M.; Soifer, B. T.

    1995-05-01

    A spectroscopic survey of a large sample of luminous infrared galaxies [log (L_ir_/L_sun_)^7^ ~ 10.5-12.5; H_0_ = 75 km s^-1^ Mpc^-1^] has been carried out using the Palomar 5 m telescope,, and the University of Hawaii 2.2 m telescope. Long-slit spectra covering 375o-8000 A at a resolution of ~10 A were obtained of 200 IRAS galaxies, including 114 objects from the IRAS Bright Galaxy Survey, and 86 objects with fainter infrared fluxes selected on the basis of their "warm" far-infrared (S_60_/S_100_) colors. The methods of observation and data reduction are discussed. An atlas of the spectra extracted from the nuclear region of these objects is presented along with a large number of parameters describing the properties of the emission lines, the stellar absorption lines, and the continuum emission that were measured from the spectra. An analysis of these data is presented in a companion paper (Veilleux et al. 1995) along with a discussion of the spatial variations of these parameters in a subsample of twenty-three objects.

  1. Analysis of the nuclear measurement program for an optimized BR2 core configuration

    SciTech Connect

    Van Den Branden, G.; Kalcheva, S.; Sikik, E.; Koonen, E.

    2013-07-01

    This paper presents the analysis of the results of the Nuclear Measurement Program (NMP) executed during the shut-down of cycle 05/2012 of the BR2 reactor. The aim of the NMP was to determine the properties of a reactor core load with a new configuration of the control rods and to evaluate/verify the predicted numerical results by MCNPX. The methods used for the interpretation of the measurement results include combinations of an analytical method for determination of the axial relative control rod efficiency and least square techniques. (authors)

  2. Nuclear Engineering Computer Models for In-Core Fuel Management Analysis.

    Energy Science and Technology Software Center (ESTSC)

    1992-06-12

    Version 00 VPI-NECM is a nuclear engineering computer system of modules for in-core fuel management analysis. The system consists of 6 independent programs designed to calculate: (1) FARCON - neutron slowing down and epithermal group constants, (2) SLOCON - thermal neutron spectrum and group constants, (3) DISFAC - slow neutron disadvantage factors, (4) ODOG - solution of a one group neutron diffusion equation, (5) ODMUG - three group criticality problem, (6) FUELBURN - fuel burnupmore » in slow neutron fission reactors.« less

  3. BOLD VENTURE COMPUTATION SYSTEM for nuclear reactor core analysis, Version III

    SciTech Connect

    Vondy, D.R.; Fowler, T.B.; Cunningham, G.W. III.

    1981-06-01

    This report is a condensed documentation for VERSION III of the BOLD VENTURE COMPUTATION SYSTEM for nuclear reactor core analysis. An experienced analyst should be able to use this system routinely for solving problems by referring to this document. Individual reports must be referenced for details. This report covers basic input instructions and describes recent extensions to the modules as well as to the interface data file specifications. Some application considerations are discussed and an elaborate sample problem is used as an instruction aid. Instructions for creating the system on IBM computers are also given.

  4. Potassium-induced charge redistribution on Si(111) surfaces studied by core-level photoemission spectroscopy

    SciTech Connect

    Ma, Y. ); Chen, C.T.; Meigs, G.; Sette, F. ); Illing, G. ); Shigakawa, H. )

    1992-03-15

    High-resolution core-level photoemission spectra of the K/Si(111)(7{times}7) surface system are presented. The Si 2{ital p} results show that potassium adsorption induces a Si 2{ital p} core level to shift to o/Ihighero/P binding energy, i.e., to the opposite direction than that expected from the Si-K electronegativity differences. This result is compared with that of the K/Si(111)({radical}3 {times} {radical}3 ){ital R}30{degree}-B system and is interpreted in terms of the K-induced charge redistribution between the Si-adatom--rest-atom pair.

  5. 10 CFR 50.46 - Acceptance criteria for emergency core cooling systems for light-water nuclear power reactors.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 10 Energy 1 2012-01-01 2012-01-01 false Acceptance criteria for emergency core cooling systems for light-water nuclear power reactors. 50.46 Section 50.46 Energy NUCLEAR REGULATORY COMMISSION DOMESTIC... include the rupture opening. (3) Maximum hydrogen generation. The calculated total amount of...

  6. Optimize out-of-core thermionic energy conversion for nuclear electric propulsion

    NASA Technical Reports Server (NTRS)

    Morris, J. F.

    1978-01-01

    Thermionic energy conversion (TEC) potentialities for nuclear electric propulsion (NEP) are examined. Considering current designs, their limitations, and risks raises critical questions about the use of TEC for NEP. Apparently a reactor cooled by hotter-than-1675 K heat pipes has good potentialities. TEC with higher temperatures and greater power densities than the currently proposed 1650 K, 5-to-6 W/sq cm version offers substantial gains. Other approaches to high-temperature electric isolation appear also promising. A high-power-density, high-temperature TEC for NEP appears, therefore, attainable. It is recommended to optimize out-of-core thermionic energy conversion for nuclear electric propulsion. Although current TEC designs for NEP seem unnecessary compared with Brayton versions, large gains are apparently possible with increased temperatures and greater power densities.

  7. Low-energy nuclear spectroscopy in a microscopic multiphonon approach

    NASA Astrophysics Data System (ADS)

    Lo Iudice, N.; Ponomarev, V. Yu; Stoyanov, Ch; Sushkov, A. V.; Voronov, V. V.

    2012-04-01

    The low-lying spectra of heavy nuclei are investigated within the quasiparticle-phonon model. This microscopic approach goes beyond the quasiparticle random-phase approximation by treating a Hamiltonian of separable form in a microscopic multiphonon basis. It is therefore able to describe the anharmonic features of collective modes as well as the multiphonon states, whose experimental evidence is continuously growing. The method can be put in close correspondence with the proton-neutron interacting boson model. By associating the microscopic isoscalar and isovector quadrupole phonons with proton-neutron symmetric and mixed-symmetry quadrupole bosons, respectively, the microscopic states can be classified, just as in the algebraic model, according to their phonon content and their symmetry. In addition, these states disclose the nuclear properties which are to be ascribed to genuine shell effects, not included in the algebraic approach. Due to its flexibility, the method can be implemented numerically for systematic studies of spectroscopic properties throughout entire regions of vibrational nuclei. The spectra and multipole transition strengths so computed are in overall good agreement with the experimental data. By exploiting the correspondence of the method with the interacting boson model, it is possible to embed the microscopic states into this algebraic frame and, therefore, face the study of nuclei far from shell closures, not directly accessible to merely microscopic approaches. Here, it is shown how this task is accomplished through systematic investigations of magnetic dipole and, especially, electric dipole modes along paths moving from the vibrational to the transitional regions. The method is very well suited to the study of well-deformed nuclei. It provides reliable descriptions of low-lying magnetic as well as electric multipole modes of nuclei throughout the rare-earth and actinide regions. Attention is focused here on the low-lying 0+ states

  8. Lunar Nuclear Power Plant With Solid Core Reactor, Heatpipes and Thermoelectric Conversion

    SciTech Connect

    Sayre, Edwin D.; Ring, Peter J.; Brown, Neil; Elsner, Norbert B.; Bass, John C.

    2008-01-21

    This is a lunar nuclear power plant with the advantages of minimum mass, with no moving parts, no pumped liquid coolant, a solid metal rugged core, with no single point of failure. The electrical output is 100 kilowatts with a 500 kilowatt thermal reactor. The thermoelectric converters surround the potassium heatpipes from the core and water heatpipes surround the converter and connect to the radiator. The solid core reactor is made from HT9 alloy. The fuel is uranium oxide with 90% enrichment. The thermoelectric converter is bonded to the outside of the 1.10 inch ID heat pipe and is 30 inches long. The thermoelectric couple is Si/SiGe-Si/SiC Quantum Well with over 20% efficiency with an 890 K hot side and a 490 K cold side and produces 625 Watts. 176 converters produce 110 kWe. With less than 10% loss in controls this yields 100 kWe for use. The cylindrical thermoelectric converter is designed and fabricated by HIPing to keep brittle materials in compression and to ensure conductivity. The solid core is fabricated by machining the heatpipe tubes with 6 grooves that are diffusion bonded together by HIPing to form the fuel tubes. The maximum temperature of the heat pipes is 940 K and the return flow temperature is 890 K. The reactor core is hexagonal shaped, 61 cm. wide and 76.2 cm high with 12 rotating control drums surrounding it. There is shielding to protect components and human habitation. The radiator is daisy shaped at 45 degrees with each petal 5.5 meters long. The design life is ten years.

  9. Lunar Nuclear Power Plant With Solid Core Reactor, Heatpipes and Thermoelectric Conversion

    NASA Astrophysics Data System (ADS)

    Sayre, Edwin D.; Ring, Peter J.; Brown, Neil; Elsner, Norbert B.; Bass, John C.

    2008-01-01

    This is a lunar nuclear power plant with the advantages of minimum mass, with no moving parts, no pumped liquid coolant, a solid metal rugged core, with no single point of failure. The electrical output is 100 kilowatts with a 500 kilowatt thermal reactor. The thermoelectric converters surround the potassium heatpipes from the core and water heatpipes surround the converter and connect to the radiator. The solid core reactor is made from HT9 alloy. The fuel is uranium oxide with 90% enrichment. The thermoelectric converter is bonded to the outside of the 1.10 inch ID heat pipe and is 30 inches long. The thermoelectric couple is Si/SiGe-Si/SiC Quantum Well with over 20% efficiency with an 890 K hot side and a 490 K cold side and produces 625 Watts. 176 converters produce 110 kWe. With less than 10% loss in controls this yields 100 kWe for use. The cylindrical thermoelectric converter is designed and fabricated by HIPing to keep brittle materials in compression and to ensure conductivity. The solid core is fabricated by machining the heatpipe tubes with 6 grooves that are diffusion bonded together by HIPing to form the fuel tubes. The maximum temperature of the heat pipes is 940 K and the return flow temperature is 890 K. The reactor core is hexagonal shaped, 61 cm. wide and 76.2 cm high with 12 rotating control drums surrounding it. There is shielding to protect components and human habitation. The radiator is daisy shaped at 45 degrees with each petal 5.5 meters long. The design life is ten years.

  10. Scientific opportunities in nuclear resonance spectroscopy from source-driven revolution.

    SciTech Connect

    Shenoy, G. K.; Rohlsberger, R.; X-Ray Science Division; DESY

    2008-02-01

    From the beginning of its discovery the Moessbauer effect has continued to be one of the most powerful tools with broad applications in diverse areas of science and technology. With the advent of synchrotron radiation sources such as the Advanced Photon Source (APS), the European Synchrotron Radiation Facility (ESRF) and the Super Photon Ring-8 (SPring-8), the tool has enlarged its scope and delivered new capabilities. The popular techniques most generally used in the field of materials physics, chemical physics, geoscience, and biology are hyperfine spectroscopy via elastic nuclear forward scattering (NFS), vibrational spectroscopy via nuclear inelastic scattering (NRIXS), and, to a lesser extent, diffusional dynamics from quasielastic nuclear forward scattering (QNFS). As we look ahead, new storage rings with enhanced brilliance such as PETRA-III under construction at DESY, Hamburg, and PEP-III in its early design stage at SLAC, Stanford, will provide new and unique science opportunities. In the next two decades, x-ray free-electron lasers (XFELs), based both on self-amplified spontaneous emission (SASE-XFELs) and a seed (SXFELs), with unique time structure, coherence and a five to six orders higher average brilliance will truly revolutionize nuclear resonance applications in a major way. This overview is intended to briefly address the unique radiation characteristics of new sources on the horizon and to provide a glimpse of scientific prospects and dreams in the nuclear resonance field from the new radiation sources. We anticipate an expanded nuclear resonance research activity with applications such as spin and phonon mapping of a single nanostructure and their assemblies, interfaces, and surfaces; spin dynamics; nonequilibrium dynamics; photochemical reactions; excited-state spectroscopy; and nonlinear phenomena.

  11. Characterization of direct-drive-implosion core conditions on OMEGA with time-resolved Ar K-shell spectroscopy

    NASA Astrophysics Data System (ADS)

    Regan, S. P.; Delettrez, J. A.; Epstein, R.; Jaanimagi, P. A.; Yaakobi, B.; Smalyuk, V. A.; Marshall, F. J.; Meyerhofer, D. D.; Seka, W.; Haynes, D. A.; Golovkin, I. E.; Hooper, C. F.

    2002-04-01

    Direct-drive-implosion core conditions have been characterized on the 60-beam OMEGA [T. R. Boehly et al., Opt. Commun. 133, 495 (1997)] laser system with time-resolved Ar K-shell spectroscopy. Plastic shells with an Ar-doped deuterium fill gas were driven with a 23 kJ, 1 ns square laser pulse smoothed with 1 THz smoothing by spectral dispersion (SSD) and polarization smoothing (PS) using birefringent wedges. The targets are predicted to have a convergence ratio of ˜15. The emissivity-averaged core electron temperature (Te) and density (ne) were inferred from the measured time-dependent Ar K-shell spectral line shapes. As the imploding shell decelerates the observed Te and ne increase to 2.0 (±0.2) keV and 2.5 (±0.5)×1024cm-3 at peak neutron production, which is assumed to occur at the time of the peak emissivity-averaged Te. At peak compression the ne increases to 3.1 (±0.6)×1024cm-3 and the Te decreases to 1.7 (±0.17) keV. The observed core conditions are close to those predicted by a one-dimensional hydrodynamics code.

  12. A new baryonic equation of state at sub-nuclear densities for core-collapse simulations

    NASA Astrophysics Data System (ADS)

    Furusawa, Shun; Yamada, Shoichi; Sumiyoshi, Kohsuke; Suzuki, Hideyuki

    2012-11-01

    We construct a new equation of state for baryons at sub-nuclear densities for the use in core-collapse simulations of massive stars. The formulation is based on the nuclear statistical equilibrium description and the liquid drop approximation of nuclei. The model free energy to minimize is calculated by using relativistic mean field theory for nucleons and the mass formula for nuclei with atomic number up to ~ 1000. We have also taken into account the pasta phase. We find that the free energy and other thermodynamical quantities are not very different from those given in the standard EOSs that adopt the single nucleus approximation. On the other hand, the average mass is systematically different, which may have an important effect to the rates of electron captures and coherent neutrino scatterings on nuclei in supernova cores. It is also interesting that the root mean square of the mass number is not very different from the average mass number, since the former is important for the evaluation of coherent scattering rates on nuclei but has been unavailable so far.

  13. Billion-fold enhancement in sensitivity of nuclear magnetic resonance spectroscopy for magnesium ions in solution.

    PubMed

    Gottberg, Alexander; Stachura, Monika; Kowalska, Magdalena; Bissell, Mark L; Arcisauskaite, Vaida; Blaum, Klaus; Helmke, Alexander; Johnston, Karl; Kreim, Kim; Larsen, Flemming H; Neugart, Rainer; Neyens, Gerda; Garcia Ruiz, Ronald F; Szunyogh, Daniel; Thulstrup, Peter W; Yordanov, Deyan T; Hemmingsen, Lars

    2014-12-15

    β-nuclear magnetic resonance (NMR) spectroscopy is highly sensitive compared to conventional NMR spectroscopy, and may be applied for several elements across the periodic table. β-NMR has previously been successfully applied in the fields of nuclear and solid-state physics. In this work, β-NMR is applied, for the first time, to record an NMR spectrum for a species in solution. (31)Mg β-NMR spectra are measured for as few as 10(7) magnesium ions in ionic liquid (EMIM-Ac) within minutes, as a prototypical test case. Resonances are observed at 3882.9 and 3887.2 kHz in an external field of 0.3 T. The key achievement of the current work is to demonstrate that β-NMR is applicable for the analysis of species in solution, and thus represents a novel spectroscopic technique for use in general chemistry and potentially in biochemistry. PMID:25303164

  14. Key metabolites in tissue extracts of Elliptio complanata identified using 1H nuclear magnetic resonance spectroscopy

    PubMed Central

    Hurley-Sanders, Jennifer L.; Levine, Jay F.; Nelson, Stacy A. C.; Law, J. M.; Showers, William J.; Stoskopf, Michael K.

    2015-01-01

    We used 1H nuclear magnetic resonance spectroscopy to describe key metabolites of the polar metabolome of the freshwater mussel, Elliptio complanata. Principal components analysis documented variability across tissue types and river of origin in mussels collected from two rivers in North Carolina (USA). Muscle, digestive gland, mantle and gill tissues yielded identifiable but overlapping metabolic profiles. Variation in digestive gland metabolic profiles between the two mussel collection sites was characterized by differences in mono- and disaccharides. Variation in mantle tissue metabolomes appeared to be associated with sex. Nuclear magnetic resonance spectroscopy is a sensitive means to detect metabolites in the tissues of E. complanata and holds promise as a tool for the investigation of freshwater mussel health and physiology. PMID:27293708

  15. Nuclear structure of elements with 100 ≤ Z ≤ 109 from alpha spectroscopy

    NASA Astrophysics Data System (ADS)

    Asai, M.; Heßberger, F. P.; Lopez-Martens, A.

    2015-12-01

    Significant technical progress concerning the availability of intense heavy-ion beams and highly-efficient and sophisticated detection devices has made nuclear-structure investigations possible in the region of superheavy nuclei. Exciting new results have been obtained by applying α spectroscopy as well as α-γ and internal-conversion-electron coincidence spectroscopy. The present review article gives an overview of the experimental techniques and methods with specific attention to the recent developments of digital signal and data processing giving access to half-life ranges of less than a few microseconds. The presentation of the experimental results and the physics discussion will be focused on nuclear structure systematics in even-Z nuclei along the N = 151 , 153 ,and 155 isotonic lines, where most progress has been achieved in the last 10 years.

  16. Nanomagnetism of Core-Shell Magnetic Nanoparticles and Application in Spent Nuclear Fuel Separation

    NASA Astrophysics Data System (ADS)

    Tarsem Singh, Maninder Kaur

    This dissertation presents the study on novel core-shell magnetic nanoparticles (NPs) with unique magnetic properties. Understanding the fundamental physics of antiferromagnetic - ferromagnetic interactions is essential to apply in different applications. Chromium (Cr) doped and undoped core-shell iron/iron-oxide NPs have been synthesized using cluster deposition system and studied with respect to their nanostructures, morphologies, sizes, chemical composition and magnetic properties. The room-temperature magnetic properties of Fe based NPs shows the strong dependence of intra/inter-particle interaction on NP size. The Cr-doped Fe NP shows the origin of sigma-FeCr phase at very low Cr concentration (2 at.%) unlike others reported at high Cr content and interaction reversal from dipolar to exchange interaction. A theoretical model of watermelon is constructed based on the experimental results and core-shell NP system in order to explain the physics of exchange interaction in Cr-doped Fe particles. The magnetic nanoparticle---chelator separation nanotechnology is investigated for spent nuclear fuel recycling and is reported 97% and 80% of extraction for Am(III) and Pu(IV) actinides respectively. If the long-term heat generating actinides such as Am(III) can be efficiently removed from the used fuel raffinates, the volume of material that can be placed in a given amount of repository space can be significantly increased. As it is a simple, versatile, compact, and cost efficient process that minimizes secondary waste and improves storage performance.

  17. Contributed Review: Nuclear magnetic resonance core analysis at 0.3 T

    SciTech Connect

    Mitchell, Jonathan Fordham, Edmund J.

    2014-11-15

    Nuclear magnetic resonance (NMR) provides a powerful toolbox for petrophysical characterization of reservoir core plugs and fluids in the laboratory. Previously, there has been considerable focus on low field magnet technology for well log calibration. Now there is renewed interest in the study of reservoir samples using stronger magnets to complement these standard NMR measurements. Here, the capabilities of an imaging magnet with a field strength of 0.3 T (corresponding to 12.9 MHz for proton) are reviewed in the context of reservoir core analysis. Quantitative estimates of porosity (saturation) and pore size distributions are obtained under favorable conditions (e.g., in carbonates), with the added advantage of multidimensional imaging, detection of lower gyromagnetic ratio nuclei, and short probe recovery times that make the system suitable for shale studies. Intermediate field instruments provide quantitative porosity maps of rock plugs that cannot be obtained using high field medical scanners due to the field-dependent susceptibility contrast in the porous medium. Example data are presented that highlight the potential applications of an intermediate field imaging instrument as a complement to low field instruments in core analysis and for materials science studies in general.

  18. THR-TH: a high-temperature gas-cooled nuclear reactor core thermal hydraulics code

    SciTech Connect

    Vondy, D.R.

    1984-07-01

    The ORNL version of PEBBLE, the (RZ) pebble bed thermal hydraulics code, has been extended for application to a prismatic gas cooled reactor core. The supplemental treatment is of one-dimensional coolant flow in up to a three-dimensional core description. Power density data from a neutronics and exposure calculation are used as the basic information for the thermal hydraulics calculation of heat removal. Two-dimensional neutronics results may be expanded for a three-dimensional hydraulics calculation. The geometric description for the hydraulics problem is the same as used by the neutronics code. A two-dimensional thermal cell model is used to predict temperatures in the fuel channel. The capability is available in the local BOLD VENTURE computation system for reactor core analysis with capability to account for the effect of temperature feedback by nuclear cross section correlation. Some enhancements have also been added to the original code to add pebble bed modeling flexibility and to generate useful auxiliary results. For example, an estimate is made of the distribution of fuel temperatures based on average and extreme conditions regularly calculated at a number of locations.

  19. Multimegawatt nuclear electric propulsion with gaseous and vapor core reactors with MHD

    NASA Astrophysics Data System (ADS)

    Knight, Travis; Anghaie, Samim; Smith, Blair; Houts, Michael

    2001-02-01

    This study investigated the development of a system concept for space power generation and nuclear electric propulsion based on a fissioning plasma core reactor (FPCR) with magnetohydrodynamic (MHD) power conversion system, coupled to a magnetoplasmadynamic (MPD) thruster. The FPCR is a liquid-vapor core reactor concept operating with metallic uranium or uranium tetrafluoride (UF4) vapor as the fissioning fuel and alkali metals or their fluorides as working fluid in a closed Rankine cycle with MHD energy conversion. Candidate working fluids include K, Li, Na, KF, LiF, NaF, etc. The system features core outlet temperatures of 3000 to 4000 K at pressures of about 1 to 10 MPa, MHD temperatures of 2000 to 3000 K, and radiator temperatures of 1200 to 2000 K. This combination of parameters offers the potential for low total system specific mass in the range of 0.4 to 0.6 kg/kWe. The MHD output could be coupled with minimal power conditioning to the variable specific impulse magnetoplasma rocket (VASIMR), MPD thrusters or other types of thruster for producing thrust at very high specific impulse (Isp=1500 to 10,000 s). .

  20. A Practical Guide for Nuclear Resonance Vibrational Spectroscopy (NRVS) of Biochemical Samples and Model Compounds

    PubMed Central

    Wang, Hongxin; Alp, Ercan; Yoda, Yoshitaka; Cramer, Stephen P.

    2016-01-01

    Summary Nuclear resonance vibrational spectroscopy (NRVS) has been used by physicists for many years. However, it is still a relatively new technique for bioinorganic users. This technique yields a vibrational spectrum for a specific element, which can be easily interpreted. Furthermore, isotopic labeling allows for site-specific experiments. In this chapter we discuss how to access specific beamlines, what kind of equipment is used in NRVS and how the sample should be prepared and the data collected and analyzed. PMID:24639257

  1. FORMATION AND EVOLUTION OF NUCLEAR STAR CLUSTERS WITH IN SITU STAR FORMATION: NUCLEAR CORES AND AGE SEGREGATION

    SciTech Connect

    Aharon, Danor; Perets, Hagai B.

    2015-02-01

    Nuclear stellar cluster (NSCs) are known to exist around massive black holes (MBHs) in galactic nuclei. Two formation scenarios were suggested for their origin: (1) buildup of NSCs from consecutive infall of stellar clusters and (2) continuous in situ star formation. Though the cluster infall scenario has been extensively studied, the in situ formation scenario has been hardly explored. Here we use Fokker-Planck (FP) calculations to study the effects of star formation on the buildup of NSCs and its implications for their long-term evolution and their resulting structure. We use the FP equation to describe the evolution of stellar populations and add appropriate source terms to account for the effects of newly formed stars. We show that continuous star formation even 1-2 pc away from the MBH can lead to the buildup of an NSC with properties similar to those of the Milky Way NSC. We find that the structure of the old stellar population in the NSC with in situ star formation could be very similar to the steady-state Bahcall-Wolf cuspy structure. However, its younger populations do not yet achieve a steady state. In particular, formed/evolved NSCs with in situ star formation contain differential age-segregated stellar populations that are not yet fully mixed. Younger stellar populations formed in the outer regions of the NSC have a cuspy structure toward the NSC outskirts, while showing a core-like distribution inward, with younger populations having larger core sizes. In principal, such a structure can give rise to an apparent core-like radial distribution of younger stars, as observed in the Galactic center.

  2. Spatially Resolved Far-Ultraviolet Spectroscopy of the Nuclear Region of NGC 1068

    NASA Astrophysics Data System (ADS)

    Zheng, Wei; Wang, Jun-Xian; Kriss, Gerard A.; Sahnow, David; Allen, Mark; Dopita, Michael; Tsvetanov, Zlatan; Bicknell, Geoffrey

    2008-10-01

    We carry out high-resolution FUSE spectroscopy of the nuclear region of NGC 1068. The first set of spectra was obtained with a 30'' square aperture that collected all emission from the narrow-line region. The data reveal a strong broad O VI component of FWHM ~3500 km s-1 and two narrow O VI λλ1031, 1037 components of ~350 km s-1. The C III λ977 and N III λ991 emission lines in this spectrum can be fitted with a narrow component of FWHM ~1000 km s-1 and a broad one of ~2500 km s-1. Another set of seven spatially resolved spectra was made using a long slit of 1.25'' × 20'' at steps of ~1'' along the axis of the emission-line cone. We find the following: (1) Major emission lines in the FUSE wavelength range consist of a broad and a narrow component. (2) There is a gradient in the velocity field for the narrow O VI component of ~200 km s-1 from ~2'' southwest of the nucleus to ~4'' northeast. A similar pattern is also observed with the broad O VI component, with a gradient of ~3000 km s-1. These are consistent with the HST STIS findings and suggest a biconical structure in which the velocity field is mainly radial outflow. (3) A major portion of the C III and N III line flux is produced in the compact core. They are therefore not effective temperature diagnostics for the conical region. (4) The best-fit UV continuum suggests virtually no reddening, and the He II I(λ1640)/I(λ1085) ratio suggests a consistently low extinction factor across the cone. At ~2'' northeast of the nucleus there is a region characterized by (a) a strong Lyα flux but normal C IV flux, (b) a broad O VI line, and (c) a significantly enhanced C III flux. Based on observations made with the NASA-CNES-CSA Far Ultraviolet Spectroscopic Explorer (FUSE), which is operated for NASA by The Johns Hopkins University under NASA contract NAS5-32985, and observations with the NASA/ESA Hubble Space Telescope, obtained at the Space Telescope Science Institute, which is operated by the Association of

  3. Modular assembly for supporting, straining, and directing flow to a core in a nuclear reactor

    DOEpatents

    Pennell, William E.

    1977-01-01

    A reactor core support arrangement for supporting, straining, and providing fluid flow to the core and periphery of a nuclear reactor during normal operation. A plurality of removable inlet modular units are contained within permanent liners in the lower supporting plate of the reactor vessel lower internals. During normal operation (1) each inlet modular unit directs main coolant flow to a plurality of core assemblies, the latter being removably supported in receptacles in the upper portion of the modular unit and (2) each inlet modular unit may direct bypass flow to a low pressure annular region of the reactor vessel. Each inlet modular unit may include special fluid seals interposed between mating surfaces of the inlet modular units and the core assemblies and between the inlet modular units and the liners, to minimize leakage and achieve an hydraulic balance. Utilizing the hydraulic balance, the modular units are held in the liners and the assemblies are held in the modular unit receptacles by their own respective weight. Included as part of the permanent liners below the horizontal support plate are generally hexagonal axial debris barriers. The axial debris barriers collectively form a bottom boundary of a secondary high pressure plenum, the upper boundary of which is the bottom surface of the horizontal support plate. Peripheral liners include radial debris barriers which collectively form a barrier against debris entry radially. During normal operation primary coolant inlet openings in the liner, below the axial debris barriers, pass a large amount of coolant into the inlet modular units, and secondary coolant inlet openings in the portion of the liners within the secondary plenum pass a small amount of coolant into the inlet modular units. The secondary coolant inlet openings also provide alternative coolant inlet flow paths in the unlikely event of blockage of the primary inlet openings. The primary inlet openings have characteristics which limit the

  4. Design and analysis of a nuclear reactor core for innovative small light water reactors

    NASA Astrophysics Data System (ADS)

    Soldatov, Alexey I.

    In order to address the energy needs of developing countries and remote communities, Oregon State University has proposed the Multi-Application Small Light Water Reactor (MASLWR) design. In order to achieve five years of operation without refueling, use of 8% enriched fuel is necessary. This dissertation is focused on core design issues related with increased fuel enrichment (8.0%) and specific MASLWR operational conditions (such as lower operational pressure and temperature, and increased leakage due to small core). Neutron physics calculations are performed with the commercial nuclear industry tools CASMO-4 and SIMULATE-3, developed by Studsvik Scandpower Inc. The first set of results are generated from infinite lattice level calculations with CASMO-4, and focus on evaluation of the principal differences between standard PWR fuel and MASLWR fuel. Chapter 4-1 covers aspects of fuel isotopic composition changes with burnup, evaluation of kinetic parameters and reactivity coefficients. Chapter 4-2 discusses gadolinium self-shielding and shadowing effects, and subsequent impacts on power generation peaking and Reactor Control System shadowing. The second aspect of the research is dedicated to core design issues, such as reflector design (chapter 4-3), burnable absorber distribution and programmed fuel burnup and fuel use strategy (chapter 4-4). This section also includes discussion of the parameters important for safety and evaluation of Reactor Control System options for the proposed core design. An evaluation of the sensitivity of the proposed design to uncertainty in calculated parameters is presented in chapter 4-5. The results presented in this dissertation cover a new area of reactor design and operational parameters, and may be applicable to other small and large pressurized water reactor designs.

  5. High-resolution continuous flow analysis setup for water isotopic measurement from ice cores using laser spectroscopy

    NASA Astrophysics Data System (ADS)

    Emanuelsson, B. D.; Baisden, W. T.; Bertler, N. A. N.; Keller, E. D.; Gkinis, V.

    2014-12-01

    Here we present an experimental setup for water stable isotopes (δ18O and δD) continuous flow measurements. It is the first continuous flow laser spectroscopy system that is using Off-Axis Integrated Cavity Output Spectroscopy (OA-ICOS; analyzer manufactured by Los Gatos Research - LGR) in combination with an evaporation unit to continuously analyze sample from an ice core. A Water Vapor Isotopic Standard Source (WVISS) calibration unit, manufactured by LGR, was modified to: (1) increase the temporal resolution by reducing the response time (2) enable measurements on several water standards, and (3) to reduce the influence from memory effects. While this setup was designed for the Continuous Flow Analysis (CFA) of ice cores, it can also continuously analyze other liquid or vapor sources. The modified setup provides a shorter response time (~54 and 18 s for 2013 and 2014 setup, respectively) compared to the original WVISS unit (~62 s), which is an improvement in measurement resolution. Another improvement compared to the original WVISS is that the modified setup has a reduced memory effect. Stability tests comparing the modified WVISS and WVISS setups were performed and Allan deviations (σAllan) were calculated to determine precision at different averaging times. For the 2013 modified setup the precision after integration times of 103 s are 0.060 and 0.070‰ for δ18O and δD, respectively. For the WVISS setup the corresponding σAllan values are 0.030, 0.060 and 0.043‰ for δ18O, δD and δ17O, respectively. For the WVISS setup the precision is 0.035, 0.070 and 0.042‰ after 103 s for δ18O, δD and δ17O, respectively. Both the modified setups and WVISS setup are influenced by instrumental drift with δ18O being more drift sensitive than δD. The σAllan values for δ18O of 0.30 and 0.18‰ for the modified (2013) and WVISS setup, respectively after averaging times of 104 s (2.78 h). The Isotopic Water Analyzer (IWA)-modified WVISS setup used during the

  6. First X-Ray absorption spectroscopy results on Aeolian dust archived in Antarctica and Alpine firn cores

    NASA Astrophysics Data System (ADS)

    Marcelli, A.; Maggi, V.; Cibin, G.; Sala, M.; Marino, F.; Delmonte, B.

    2006-12-01

    We present the first x-ray absorption spectroscopy (XAS) data at the Fe K-edge collected on insoluble mineral dust from Talos Dome firn core (TDC, 159°04'E, 72°46'S, 2316 m a.s.l., mean accumulation rate 8 g cm-2 yr- 1), drilled in the framework of the International Trans Antarctic Scientific Expedition (ITASE), and from a Colle del Lys 2003 firn core (CDL03, 45°92'N, 7°86'E, 4248m a.s.l., mean accumulation rate 134 g cm-2 yr-1, Lys Glacier, Mt. Rosa, Italy). The low concentration of mineral particles, obtained by filtering each firn core melted samples on Nuclepore membranes in a 1000 class clean room, required a specific procedure to prepare the samples necessary to the successful collection of the XAS data. The firn samples were decontaminated in clean room under laminar flow bench by means of a ceramic knife and discarding the external part of the cores. Analyses of the insoluble particle content were performed by particle counter Beckman CounterãMultisizer III in order to defined concentration and size distribution of particles in each samples. A dedicated HV experimental chamber, devoted to the realization of XAS experiments on very low absorber concentration samples, was developed and realized in the framework of the CryoAlp collaboration at IMONT, the Italian National Institute for Mountains. The original experimental setup, thanks to the presence of an in-vacuum sample micromanipulator and special sample alignment and docking system installed for these experiments at the Stanford Synchrotron Radiation Laboratory at the beamline 6-2, allows both normal-incidence X-ray Fluorescence detection using a Ketek SDD detector having an energy resolution of about 150 eV and extremely low energy detection limit, and Total X-ray Reflection Fluorescence and Absorption Spectroscopy measurements. The high quality of the XANES experiments performed, using both normal incidence and Total Reflection XAS measurements, allowed recognizing iron-inclusion mineral fractions

  7. Exploring the nuclear pasta phase in Core-Collapse Supernova Matter

    SciTech Connect

    Pais, Helena; Stone, Jirina R

    2012-01-01

    The core-collapse supernova (CCSN) phenomenon, one of the most explosive events in the Uni- verse, presents a challenge to theoretical astrophysics. Of the large variety of forms of matter present in CCSN, we focus on the transitional region between homogeneous and inhomogeneous phases. Traditionally, here the nuclear structures undergo a series of changes in shape from spher- ical to exotic deformed forms: rods, slabs, cylindrical holes and bubbles, termed nuclear pasta . A fully self-consistent three-dimensional, finite temperature Skyrme-Hartree-Fock + BCS (SHF) calculation yields, for the first time, the critical density and temperature of both the onset of the pasta in inhomogeneous matter, consisting of neutron heavy nuclei and a free neutron and electron gas, and its dissolution in to a homogeneous neutron, proton and electron liquid. As the nuclear matter properties depend on the effective nucleon-nucleon interaction in the SHF model, we employ four different forms of the Skyrme interaction, SkM , SLy4, NRAPR and SQMC700 and find subtle variations in the low density and high density transitions into and out of the pasta phase. Two new stable pasta shapes have been identified, in addition to the classic ones, on the grid of densities and temperatures used in this work. Detailed examination and clasification of the transitions found will form the content of a forthcoming publication.

  8. Core Level Spectroscopy and Tautomerism of Key Biomolecules in the Gas Phase

    NASA Astrophysics Data System (ADS)

    Feyer, V.; Plekan, O.; Richter, R.; Prince, K. C.; Coreno, M.; Giuliano, B. M.; Evangelisti, L.; Melandri, S.; Caminati, W.; Trofimov, A. B.; Zaytseva, I. L.; Moskovskaya, T. E.; Gromov, E. V.; Schirmer, J.

    2010-06-01

    The nucleobases cytosine, thymine and uracil are pyrimidine derivatives. They pair with their complementary purines, guanine and adenine, through hydrogen bonding to form DNA and RNA chains. The tautomeric forms of DNA bases are capable of unusual base pairing like thymine-guanine and cytosine-adenine and create mutations, which are the precursors of some molecular-based diseases. Low energy spectroscopies such as microwave, laser and infrared techniques are commonly used as methods to investigate the conformatonal and tautomeric equilibria of biomolecules, while the high energy technique of x-ray photoemission spectroscopy (XPS) has yielded a smaller amount of significant structural information about biomolecules in the gas phase. In the present studies we successfully apply XPS to the study of five nucleic acid base tautomers, as well as the prototypical system 2-hydroxypyridimine and the related molecules S-methyl-2-thiouracil and 2-thiouracil in the vapor phase. XPS is a quantitative technique, allowing the experimental determination of the populations of keto and enol tautomers at known equilibrium temperatures: it is difficult to obtain this information otherwise. The effect of different substituents on stability of tautomers has been revealed. Quantum chemistry calculations have been carried out in order to obtain information about the structure, relative stability and difference in populations of the tautomers and conformers under study.

  9. Rotational Excitation Spectroscopy with the Scanning Tunneling Microscope - Distinction of Nuclear Spin States

    NASA Astrophysics Data System (ADS)

    Natterer, Fabian Donat; Patthey, François; Brune, Harald

    2014-03-01

    The appeal of inelastic electron tunneling spectroscopy with the scanning tunneling microscope (STM) stems from its unmatched spatial resolution and the ability to measure the magnetic, electronic and vibrational properties of individual atoms and molecules. Rotational excitations of molecules could provide additional information of surface processes but have hitherto remained elusive. Here we demonstrate rotational excitation spectroscopy (RES) with the STM for hydrogen and its isotopes on graphene and hexagonal boron nitride. Since the Pauli principle imposes restrictions on the allowed rotational levels J for molecules with identical nuclei, a certain alignment of the nuclear spins entails a specific set of rotational levels. Conversely, measuring the rotational levels allows characterizing the molecular nuclear spin state. We measured excitation energies at 44 meV and 21 meV, corresponding to rotational transitions J = 0 --> 2 for hydrogen and deuterium. We thereby identify the nuclear spin isomers para-H2 and ortho-D2. For HD, we observe J = 0 --> 1 and J = 0 --> 2 transitions, as expected for heteronuclear diatomics. Our measurements demonstrate the potential of STM-RES in the study of nuclear spin states with unprecedented spatial resolution. We acknowledge funding from the Swiss National Science Foundation under Projects No. 140479 and No. 148891.

  10. Broadband 7-fs diffractive-optic-based 2D electronic spectroscopy using hollow-core fiber compression.

    PubMed

    Ma, Xiaonan; Dostál, Jakub; Brixner, Tobias

    2016-09-01

    We demonstrate noncollinear coherent two-dimensional (2D) electronic spectroscopy for which broadband pulses are generated in an argon-filled hollow-core fiber pumped by a 1-kHz Ti:Sapphire laser. Compression is achieved to 7 fs duration (TG-FROG) using dispersive mirrors. The hollow fiber provides a clean spatial profile and smooth spectral shape in the 500-700 nm region. The diffractive-optic-based design of the 2D spectrometer avoids directional filtering distortions and temporal broadening from time smearing. For demonstration we record data of cresyl-violet perchlorate in ethanol and use phasing to obtain broadband absorptive 2D spectra. The resulting quantum beating as a function of population time is consistent with literature data. PMID:27607681

  11. High Momentum Transfer Shallow Core-to-valence Spectroscopy in the Actinides

    NASA Astrophysics Data System (ADS)

    Gupta, Subhra Sen; Bradley, J. A.; Haverkort, M. W.; Seidler, G. T.; Sawatzky, G. A.

    2010-03-01

    We calculate the dynamic structure factor S(q,φ) within a renormalized atomic multiplet approach, to describe the 5d->5f non-resonant inelastic x-ray scattering (NIXS) in actinide compounds ThO2 (5f^0) and UO2 (5f^2). For small q, the spectra select the dipole-allowed transitions which are degenerate with continuum states, hindering their use in ground electronic structure determination. However dipole-forbidden multiplets reached with large q are strongly bound to the core-hole, enabling the use of a renormalized atom approach to extract the ground state electronic structure. This crossover from unbound to bound states, reachable by low-q and high-q experiments respectively, is a result of the large multiplet spread of the 5d^95f^N+1 multiplets exceeding the attractive core-hole potential. We discuss the details of the calculations and emphasize the importance of high-q experiments in studies of the ground state electronic structure of actinides.

  12. Optimization of Extreme Ultraviolet Light Source from High Harmonic Generation for Condensed-Phase Core-Level Spectroscopy

    NASA Astrophysics Data System (ADS)

    Lin, Ming-Fu; Verkamp, Max A.; Ryland, Elizabeth S.; Benke, Kristin; Zhang, Kaili; Carlson, Michaela; Vura-Weis, Josh

    2015-06-01

    Extreme ultraviolet (XUV) light source from high-order harmonic generation has been shown to be a powerful tool for core-level spectroscopy. In addition, this light source provides very high temporal resolution (10-18 s to 10-15 s) for time-resolved transient absorption spectroscopy. Most applications of the light source have been limited to the studies of atomic and molecular systems, with technique development focused on optimizing for shorter pulses (i.e. tens of attoseconds) or higher XUV energy (i.e. ~keV range). For the application to general molecular systems in solid and liquid forms, however, the XUV photon flux and stability are highly demanded due to the strong absorption by substrates and solvents. In this case, the main limitation is due to the stability of the high order generation process and the limited bandwidth of the XUV source that gives only discrete even/odd order peaks. Consequently, this results in harmonic artifact noise that overlaps with the resonant signal. In our current study, we utilize a semi-infinite cell for high harmonic generation from two quantum trajectories (i.e. short and long) at over-driven NIR power. This condition, produces broad XUV spectrum without using complicated optics (e.g. hollow-core fibers and double optical gating). This light source allows us to measure the static absorption spectrum of the iron M-edge from a Fe(acac)3 molecular solid film, which shows a resonant feature of 0.01 OD (~2.3% absorption). Moreover, we also investigate how sample roughness affects the static absorption spectrum. We are able to make smooth solar cell precursor materials (i.e. PbI2 and PbBr2) by spin casting and observe iodine (50 eV) and bromine (70 eV) absorption edges in the order of 0.05 OD with minimal harmonic artifact noise.

  13. Selective catalytic reduction of NO over Fe-ZSM-5: mechanistic insights by operando HERFD-XANES and valence-to-core X-ray emission spectroscopy.

    PubMed

    Boubnov, Alexey; Carvalho, Hudson W P; Doronkin, Dmitry E; Günter, Tobias; Gallo, Erik; Atkins, Andrew J; Jacob, Christoph R; Grunwaldt, Jan-Dierk

    2014-09-17

    An in-depth understanding of the active site requires advanced operando techniques and the preparation of defined catalysts. We elucidate here the mechanism of the selective catalytic reduction of NO by NH3 (NH3-SCR) over a Fe-ZSM-5 zeolite catalyst. 1.3 wt % Fe-ZSM-5 with low nuclearity Fe sites was synthesized, tested in the SCR reaction and characterized by UV-vis, X-ray absorption near edge structure (XANES), and extended X-ray absorption fine structure (EXAFS) spectroscopy. Next, this defined Fe-zeolite catalyst was studied by complementary high-energy-resolution fluorescence-detected XANES (HERFD-XANES) and valence-to-core X-ray emission spectroscopy (V2C XES) under different model in situ and realistic working (operando) conditions identical to the catalyst test bench including the presence of water vapor. HERFD-XANES uncovered that the coordination (between 4 and 5), geometry (tetrahedral, partly 5-fold), and oxidation state of the Fe centers (reduced in NH3, partly in SCR mixture, slight reduction in NO) strongly changed. V2C XES supported by DFT calculations provided important insight into the chemical nature of the species adsorbed on Fe sites. The unique combination of techniques applied under realistic reaction conditions and the corresponding catalytic data unraveled the adsorption of ammonia via oxygen on the iron site. The derived reaction model supports a mechanism where adsorbed NOx reacts with ammonia coordinated to the Fe(3+) site yielding Fe(2+) whose reoxidation is slow. PMID:25105343

  14. Differential high-resolution stimulated CW Raman spectroscopy of hydrogen in a hollow-core fiber.

    PubMed

    Westergaard, Philip G; Lassen, Mikael; Petersen, Jan C

    2015-06-15

    We demonstrate sensitive high-resolution stimulated Raman measurements of hydrogen using a hollow-core photonic crystal fiber (HC-PCF). The Raman transition is pumped by a narrow linewidth (< 50 kHz) 1064 nm continuous-wave (CW) fiber laser. The probe light is produced by a homebuilt CW optical parametric oscillator (OPO), tunable from around 800 nm to 1300 nm (linewidth ∼ 5 MHz). These narrow linewidth lasers allow for an excellent spectral resolution of approximately 10(-4) cm(-1). The setup employs a differential measurement technique for noise rejection in the probe beam, which also eliminates background signals from the fiber. With the high sensitivity obtained, Raman signals were observed with only a few mW of optical power in both the pump and probe beams. This demonstration allows for high resolution Raman identification of molecules and quantification of Raman signal strengths. PMID:26193604

  15. Occupied and unoccupied electronic structures of an L-cysteine film studied by core-absorption and resonant photoelectron spectroscopies

    NASA Astrophysics Data System (ADS)

    Kamada, M.; Hideshima, T.; Azuma, J.; Yamamoto, I.; Imamura, M.; Takahashi, K.

    2016-04-01

    Unoccupied and occupied electronic structures of an L-cysteine film have been studied by absorption and resonant photoelectron spectroscopies. Core absorptions at S-L, C-K, N-K, and O-K levels indicate that the lower unoccupied states are predominantly composed of oxygen-2p, carbon-2p, and sulfur-4s+3d orbitals, while higher unoccupied states may be attributed dominantly to nitrogen-np (n ≥ 3), oxygen-np (n ≥ 3), and sulfur-ns+md (n ≥ 4, m ≥ 3) orbitals. Resonant photoelectron spectra at S-L23 and O-K levels indicate that the highest occupied state is originated from sulfur-3sp orbitals, while oxygen-2sp orbitals contribute to the deeper valence states. The delocalization lifetimes of the oxygen-1s and sulfur-2p excited states are estimated from a core-hole clock method to be about 9 ± 1 and 125 ± 25 fs, respectively.

  16. Multiphysics Analysis of a Solid-Core Nuclear Thermal Engine Thrust Chamber

    NASA Technical Reports Server (NTRS)

    Wang, Ten-See; Canabal, Francisco; Cheng, Gary; Chen, Yen-Sen

    2006-01-01

    The objective of this effort is to develop an efficient and accurate thermo-fluid computational methodology to predict environments for a hypothetical solid-core, nuclear thermal engine thrust chamber. The computational methodology is based on an unstructured-grid, pressure-based computational fluid dynamics methodology. Formulations for heat transfer in solids and porous media were implemented and anchored. A two-pronged approach was employed in this effort: A detailed thermo-fluid analysis on a multi-channel flow element for mid-section corrosion investigation; and a global modeling of the thrust chamber to understand the effect of hydrogen dissociation and recombination on heat transfer and thrust performance. The formulations and preliminary results on both aspects are presented.

  17. Bleed cycle propellant pumping in a gas-core nuclear rocket engine system

    NASA Technical Reports Server (NTRS)

    Kascak, A. F.; Easley, A. J.

    1972-01-01

    The performance of ideal and real staged primary propellant pumps and bleed-powered turbines was calculated for gas-core nuclear rocket engines over a range of operating pressures from 500 to 5000 atm. This study showed that for a required engine operating pressure of 1000 atm the pump work was about 0.8 hp/(lb/sec), the specific impulse penalty resulting from the turbine propellant bleed flow as about 10 percent; and the heat required to preheat the propellant was about 7.8 MN/(lb/sec). For a specific impulse above 2400 sec, there is an excess of energy available in the moderator due to the gamma and neutron heating that occurs there. Possible alternative pumping cycles are the Rankine or Brayton cycles.

  18. Fuel/propellant mixing in an open-cycle gas core nuclear rocket engine

    SciTech Connect

    Guo, X.; Wehrmeyer, J.A.

    1997-01-01

    A numerical investigation of the mixing of gaseous uranium and hydrogen inside an open-cycle gas core nuclear rocket engine (spherical geometry) is presented. The gaseous uranium fuel is injected near the centerline of the spherical engine cavity at a constant mass flow rate, and the hydrogen propellant is injected around the periphery of the engine at a five degree angle to the wall, at a constant mass flow rate. The main objective is to seek ways to minimize the mixing of uranium and hydrogen by choosing a suitable injector geometry for the mixing of light and heavy gas streams. Three different uranium inlet areas are presented, and also three different turbulent models (k-{var_epsilon} model, RNG k-{var_epsilon} model, and RSM model) are investigated. The commercial CFD code, FLUENT, is used to model the flow field. Uranium mole fraction, axial mass flux, and radial mass flux contours are obtained. {copyright} {ital 1997 American Institute of Physics.}

  19. Fuel/propellant mixing in an open-cycle gas core nuclear rocket engine

    NASA Astrophysics Data System (ADS)

    Guo, Xu; Wehrmeyer, Joseph A.

    1997-01-01

    A numerical investigation of the mixing of gaseous uranium and hydrogen inside an open-cycle gas core nuclear rocket engine (spherical geometry) is presented. The gaseous uranium fuel is injected near the centerline of the spherical engine cavity at a constant mass flow rate, and the hydrogen propellant is injected around the periphery of the engine at a five degree angle to the wall, at a constant mass flow rate. The main objective is to seek ways to minimize the mixing of uranium and hydrogen by choosing a suitable injector geometry for the mixing of light and heavy gas streams. Three different uranium inlet areas are presented, and also three different turbulent models (k-ɛ model, RNG k-V model, and RSM model) are investigated. The commercial CFD code, FLUENT, is used to model the flow field. Uranium mole fraction, axial mass flux, and radial mass flux contours are obtained.

  20. Instabilities in uranium plasma and the gas-core nuclear rocket engine

    NASA Technical Reports Server (NTRS)

    Tidman, D. A.

    1972-01-01

    The nonlinear evolution of unstable sound waves in a uranium plasma has been calculated using a multiple time-scale asymptotic expansion scheme. The fluid equations used include the fission power density, radiation diffusion, and the effects of the changing degree of ionization of the uranium atoms. The nonlinear growth of unstable waves is shown to be limited by mode coupling to shorter wavelength waves which are damped by radiation diffusion. This mechanism limits the wave pressure fluctuations to values of order delta P/P approximates 0.00001 in the plasma of a typical gas-core nuclear rocket engine. The instability is thus not expected to present a control problem for this engine.

  1. High-resolution continuous-flow analysis setup for water isotopic measurement from ice cores using laser spectroscopy

    NASA Astrophysics Data System (ADS)

    Emanuelsson, B. D.; Baisden, W. T.; Bertler, N. A. N.; Keller, E. D.; Gkinis, V.

    2015-07-01

    Here we present an experimental setup for water stable isotope (δ18O and δD) continuous-flow measurements and provide metrics defining the performance of the setup during a major ice core measurement campaign (Roosevelt Island Climate Evolution; RICE). We also use the metrics to compare alternate systems. Our setup is the first continuous-flow laser spectroscopy system that is using off-axis integrated cavity output spectroscopy (OA-ICOS; analyzer manufactured by Los Gatos Research, LGR) in combination with an evaporation unit to continuously analyze water samples from an ice core. A Water Vapor Isotope Standard Source (WVISS) calibration unit, manufactured by LGR, was modified to (1) enable measurements on several water standards, (2) increase the temporal resolution by reducing the response time and (3) reduce the influence from memory effects. While this setup was designed for the continuous-flow analysis (CFA) of ice cores, it can also continuously analyze other liquid or vapor sources. The custom setups provide a shorter response time (~ 54 and 18 s for 2013 and 2014 setup, respectively) compared to the original WVISS unit (~ 62 s), which is an improvement in measurement resolution. Another improvement compared to the original WVISS is that the custom setups have a reduced memory effect. Stability tests comparing the custom and WVISS setups were performed and Allan deviations (σAllan) were calculated to determine precision at different averaging times. For the custom 2013 setup the precision after integration times of 103 s is 0.060 and 0.070 ‰ for δ18O and δD, respectively. The corresponding σAllan values for the custom 2014 setup are 0.030, 0.060 and 0.043 ‰ for δ18O, δD and δ17O, respectively. For the WVISS setup the precision is 0.035, 0.070 and 0.042 ‰ after 103 s for δ18O, δD and δ17O, respectively. Both the custom setups and WVISS setup are influenced by instrumental drift with δ18O being more drift sensitive than δD. The

  2. Star-formation in nuclear clusters and the origin of the Galactic center apparent core distribution

    NASA Astrophysics Data System (ADS)

    Aharon, Danor; Perets, Hagai B.

    2016-02-01

    Nuclear stellar clusters (NSCs) are known to exist around massive black holes (MBHs) in galactic nuclei. Two formation scenarios were suggested for their origin: build-up of NSCs and Continuous in-situ star-formation. Here we study the effects of star formation on the build-up of NSCs and its implications for their long term evolution and their resulting structure. We show that continuous star-formation can lead to the build-up of an NSC with properties similar to those of the Milky-way NSC. We also find that the general structure of the old stellar population in the NSC with in-situ star-formation could be very similar to the steady-state Bahcall-Wolf cuspy structure. However, its younger stellar population does not yet achieve a steady state. In particular, formed/evolved NSCs with in-situ star-formation contain differential age-segregated stellar populations which are not yet fully mixed. Younger stellar populations formed in the outer regions of the NSC have a cuspy structure towards the NSC outskirts, while showing a core-like distribution inwards; with younger populations having larger core sizes.

  3. The behavior of ANGRA 2 nuclear power plant core for a small break LOCA simulated with RELAP5 code

    SciTech Connect

    Sabundjian, Gaiane; Andrade, Delvonei A.; Belchior, Antonio Jr.; Silva Rocha, Marcelo da; Conti, Thadeu N.; Torres, Walmir M.; Macedo, Luiz A.; Umbehaun, Pedro E.; Mesquita, Roberto N.; Masotti, Paulo H. F.; Souza Lima, Ana Cecilia de

    2013-05-06

    This work discusses the behavior of Angra 2 nuclear power plant core, for a postulate Loss of Coolant Accident (LOCA) in the primary circuit for Small Break Loss Of Coolant Accident (SBLOCA). A pipe break of the hot leg Emergency Core Cooling System (ECCS) was simulated with RELAP 5 code. The considered rupture area is 380 cm{sup 2}, which represents 100% of the ECCS pipe flow area. Results showed that the cooling is enough to guarantee the integrity of the reactor core.

  4. Hollow-core fiber based linear cavity ring-down spectroscopy for gaseous oxygen detection

    NASA Astrophysics Data System (ADS)

    Munzke, Dorit; Böhm, Michael; Reich, Oliver

    2014-05-01

    We present a spectroscopic technique that combines the benefits of cavity ring-down spectroscopy and a hollowcore photonic crystal fiber. The 10m fiber is placed inside an optical cavity and acts both as the sample cell (volume = 442 nL) and as a waveguide. Due to the high reflectivity of the cavity mirrors and rather small coupling losses, the effective optical path length can be increased up to 70m. Therefore, as a figure of merit the volume per optical interaction path length is calculated to 6.3 nL m-1. Oxygen detection is performed at 760 nm while scanning across an absorption line. The optical loss due to sample absorption is determined by measuring the ring-down time of light traveling inside the cavity. Results are compared to HITRAN database showing a discrepancy of only 2.5% of the absorption coefficient. This method is of interest for applications that require sensitive measurements on sample volumes of few nanoliters to microliters without the need of calibration.

  5. Reactor moderator, pressure vessel, and heat rejection system of an open-cycle gas core nuclear rocket concept

    NASA Technical Reports Server (NTRS)

    Taylor, M. F.; Whitmarsh, C. L., Jr.; Sirocky, P. J., Jr.; Iwanczyke, L. C.

    1973-01-01

    A preliminary design study of a conceptual 6000-megawatt open-cycle gas-core nuclear rocket engine system was made. The engine has a thrust of 196,600 newtons (44,200 lb) and a specific impulse of 4400 seconds. The nuclear fuel is uranium-235 and the propellant is hydrogen. Critical fuel mass was calculated for several reactor configurations. Major components of the reactor (reflector, pressure vessel, and waste heat rejection system) were considered conceptually and were sized.

  6. Assessment of transient effects on the x-ray spectroscopy of implosion cores at OMEGA

    NASA Astrophysics Data System (ADS)

    Florido, R.; Mancini, R. C.

    2015-11-01

    An assessment of transient effects on the atomic kinetics of argon tracers in inertial confinement fusion implosion cores is carried out. The focus is on typical electron temperature and density conditions achieved in high- and low-adiabat, and shock-ignition implosion experiments performed at the OMEGA laser facility (Laboratory for Laser Energetics, USA). The results show that no significant time-dependent effects are present through the deceleration and burning phases of the implosion, and thus justify the use of steady-state atomic kinetics models in the spectroscopic analysis of sets of time-resolved x-ray spectra recorded with streaked or gated spectrometers. Modeling calculations suggest an onset for time-dependent effects to become important at electron densities ≲1022 cm-3. A physical interpretation of these results is given based on the atomic kinetics timescales extracted from the eigenvalue spectrum of the collisional-radiative rate matrix. This study is also relevant for past implosion experiments performed at the GEKKO XII laser (Institute of Laser Engineering, Japan), as well as those currently being performed at the National Ignition Facility (Lawrence Livermore National Laboratory, USA).

  7. Enhancement of resolution in core-loss and low-loss spectroscopy in a monochromated microscope.

    PubMed

    Lazar, S; Botton, G A; Zandbergen, H W

    2006-01-01

    The significant enhancement of the energy resolution in the new generation of commercially available monochromated transmission electron microscopes presents new challenges in term of selecting the correct experimental conditions and understanding the various effects that can potentially influence the quality of the EELS data. In this respect we investigated the effect of point spread function of the detector and spectrum-diffraction mixing on the energy resolution and the intensity of the zero loss peak tails. Alternative approaches to improve the energy resolution by mathematical methods have been tested. By using a simple and commonly available test case (Si L(2,3) edges) we assessed the efficiency of the deconvolution algorithms to improve the resolution. The results show that the deconvolution is not always successful in improving the resolution of the core loss EELS data and the results may not always be reliable. Contrary to this, the application of the Richardson-Lucy deconvolution algorithm on some bandgap measurements data appears to be very effective. The procedure proved successful in removing the contribution of the zero-loss peak tails and allows an easier access to spectroscopic information starting at energy losses as low as of 0.5 eV with monochromated spectra and 1 eV with the non-monochromated spectra. PMID:16872750

  8. Absorption measurements in liquid core waveguides using cavity ring-down spectroscopy.

    PubMed

    Bescherer, Klaus; Barnes, Jack A; Loock, Hans-Peter

    2013-05-01

    Short liquid core waveguides (LCWs) were included into a fiber-loop cavity ring-down absorption spectrometer to reduce the detection limit over, both, single pass absorption in a LCW and cavity-enhanced absorption using a conventional fiber-loop cavity. LCWs of 5 and 10 cm length were interfaced with a pressure-flow system and a multimode fiber-loop cavity using concave fiber lenses with matching numerical apertures and diameters. Two red dyes, Allura Red AC and Congo Red, were detected with a 532 nm pulsed laser at a 5 nM limit of detection in a detection volume of less than 1 μL, corresponding to a minimal detectable absorbance of less than 4 × 10(-4) cm(-1) and a minimal detectable change in absorption cross section, σ(min) = V(det) × ε × C(LOD), of about 14 μm(2) (Allura Red AC) and 37 μm(2) (Congo Red). PMID:23480430

  9. Safety apparatus for nuclear reactor to prevent structural damage from overheating by core debris

    DOEpatents

    Gabor, John D.; Cassulo, John C.; Pedersen, Dean R.; Baker Jr., Louis

    1986-07-01

    The invention teaches safety apparatus that can be included in a nuclear reactor, either when newly fabricated or as a retrofit add-on, that will minimize proliferation of structural damage to the reactor in the event the reactor is experiencing an overheating malfunction whereby radioactive nuclear debris might break away from and be discharged from the reactor core. The invention provides a porous bed or sublayer on the lower surface of the reactor containment vessel so that the debris falls on and piles up on the bed. Vapor release elements upstand from the bed in some laterally spaced array. Thus should the high heat flux of the debris interior vaporize the coolant at that location, the vaporized coolant can be vented downwardly to and laterally through the bed to the vapor release elements and in turn via the release elements upwardly through the debris. This minimizes the pressure buildup in the debris and allows for continuing infiltration of the liquid coolant into the debris interior.

  10. Safety apparatus for nuclear reactor to prevent structural damage from overheating by core debris

    DOEpatents

    Gabor, J.D.; Cassulo, J.C.; Pedersen, D.R.; Baker, L. Jr.

    The invention teaches safety apparatus that can be included in a nuclear reactor, either when newly fabricated or as a retrofit add-on, that will minimize proliferation of structural damage to the reactor in the event the reactor is experiencing an overheating malfunction whereby radioactive nuclear debris might break away from and can be discharged from the reactor core. The invention provides a porous bed of sublayer on the lower surface of the reactor containment vessel so that the debris falls on and piles up on the bed. Vapor release elements upstand from the bed in some laterally spaced array. Thus should the high heat flux of the debris interior vaporize the coolant at that location, the vaporized coolant can be vented downwardly to and laterally through the bed to the vapor release elements and in turn via the release elements upwardly through the debris. This minimizes the pressure buildup in the debris and allows for continuing infiltration of the liquid coolant into the debris interior.

  11. Safety apparatus for nuclear reactor to prevent structural damage from overheating by core debris

    DOEpatents

    Gabor, John D.; Cassulo, John C.; Pedersen, Dean R.; Baker, Jr., Louis

    1986-01-01

    The invention teaches safety apparatus that can be included in a nuclear reactor, either when newly fabricated or as a retrofit add-on, that will minimize proliferation of structural damage to the reactor in the event the reactor is experiencing an overheating malfunction whereby radioactive nuclear debris might break away from and be discharged from the reactor core. The invention provides a porous bed or sublayer on the lower surface of the reactor containment vessel so that the debris falls on and piles up on the bed. Vapor release elements upstand from the bed in some laterally spaced array. Thus should the high heat flux of the debris interior vaporize the coolant at that location, the vaporized coolant can be vented downwardly to and laterally through the bed to the vapor release elements and in turn via the release elements upwardly through the debris. This minimizes the pressure buildup in the debris and allows for continuing infiltration of the liquid coolant into the debris interior.

  12. Information flow and protein dynamics: the interplay between nuclear magnetic resonance spectroscopy and molecular dynamics simulations.

    PubMed

    Pastor, Nina; Amero, Carlos

    2015-01-01

    Proteins participate in information pathways in cells, both as links in the chain of signals, and as the ultimate effectors. Upon ligand binding, proteins undergo conformation and motion changes, which can be sensed by the following link in the chain of information. Nuclear magnetic resonance (NMR) spectroscopy and molecular dynamics (MD) simulations represent powerful tools for examining the time-dependent function of biological molecules. The recent advances in NMR and the availability of faster computers have opened the door to more detailed analyses of structure, dynamics, and interactions. Here we briefly describe the recent applications that allow NMR spectroscopy and MD simulations to offer unique insight into the basic motions that underlie information transfer within and between cells. PMID:25999971

  13. Nuclear resonance vibrational spectroscopy (NRVS) of rubredoxin and MoFe protein crystals

    PubMed Central

    Guo, Yisong; Brecht, Eric; Aznavour, Kristen; Nix, Jay C.; Xiao, Yuming; Wang, Hongxin; George, Simon J.; Bau, Robert; Keable, Stephen; Peters, John W.; Adams, Michael W.W.; Jenney, Francis; Sturhahn, Wolfgang; Alp, Ercan E.; Zhao, Jiyong; Yoda, Yoshitaka; Cramer, Stephen P.

    2014-01-01

    We have applied 57Fe nuclear resonance vibrational spectroscopy (NRVS) for the first time to study the dynamics of Fe centers in Fe-S protein crystals, including oxidized wild type rubredoxin crystals from Pyrococcus furiosus, and the MoFe protein of nitrogenase from Azotobacter vinelandii. Thanks to the NRVS selection rule, selectively probed vibrational modes have been observed in both oriented rubredoxin and MoFe protein crystals. The NRVS work was complemented by extended X-ray absorption fine structure spectroscopy (EXAFS) measurements on oxidized wild type rubredoxin crystals from Pyrococcus furiosus. The EXAFS spectra revealed the Fe-S bond length difference in oxidized Pf Rd protein, which is qualitatively consistent with the X-ray crystal structure. PMID:26052177

  14. Information flow and protein dynamics: the interplay between nuclear magnetic resonance spectroscopy and molecular dynamics simulations

    PubMed Central

    Pastor, Nina; Amero, Carlos

    2015-01-01

    Proteins participate in information pathways in cells, both as links in the chain of signals, and as the ultimate effectors. Upon ligand binding, proteins undergo conformation and motion changes, which can be sensed by the following link in the chain of information. Nuclear magnetic resonance (NMR) spectroscopy and molecular dynamics (MD) simulations represent powerful tools for examining the time-dependent function of biological molecules. The recent advances in NMR and the availability of faster computers have opened the door to more detailed analyses of structure, dynamics, and interactions. Here we briefly describe the recent applications that allow NMR spectroscopy and MD simulations to offer unique insight into the basic motions that underlie information transfer within and between cells. PMID:25999971

  15. Delayed Gamma-Ray Spectroscopy for Non-Destructive Assay of Nuclear Materials

    SciTech Connect

    Ludewigt, Bernhard; Mozin, Vladimir; Campbell, Luke; Favalli, Andrea; Alan W. Hunt; Edward T. Reedy; Heather A. Seipel

    2015-06-01

    Modeling capabilities were added to an existing framework and codes were adapted as needed for analyzing experiments and assessing application-specific assay concepts including simulation of measurements over many short irradiation/spectroscopy cycles. The code package was benchmarked against the data collected at the IAC for small targets and assembly-scale data collected at LANL. A study of delayed gamma-ray spectroscopy for nuclear safeguards was performed for a variety of assemblies in the extensive NGSI spent fuel library. The modeling results indicate that delayed gamma-ray responses can be collected from spent fuel assemblies with statistical quality sufficient for analyzing their isotopic composition using a 1011 n/s neutron generator and COTS detector instrumentation.

  16. Nuclear magnetic resonance spectroscopy and chemometrics to identify pine nuts that cause taste disturbance.

    PubMed

    Kobler, Helmut; Monakhova, Yulia B; Kuballa, Thomas; Tschiersch, Christopher; Vancutsem, Jeroen; Thielert, Gerhard; Mohring, Arne; Lachenmeier, Dirk W

    2011-07-13

    Nontargeted 400 MHz (13)C and (1)H nuclear magnetic resonance (NMR) spectroscopy was used in the context of food surveillance to reveal Pinus species whose nuts cause taste disturbance following their consumption, the so-called pine nut syndrome (PNS). Using principal component analysis, three groups of pine nuts were distinguished. PNS-causing products were found in only one of the groups, which however also included some normal products. Sensory analysis was still required to confirm PNS, but NMR allowed the sorting of 53% of 57 samples, which belong to the two groups not containing PNS species. Furthermore, soft independent modeling of class analogy was able to classify the samples between the three groups. NMR spectroscopy was judged as suitable for the screening of pine nuts for PNS. This process may be advantageous as a means of importation control that will allow the identification of samples suitable for direct clearance and those that require further sensory analysis. PMID:21615074

  17. Nuclear resonance vibrational spectroscopy (NRVS) of rubredoxin and MoFe protein crystals

    NASA Astrophysics Data System (ADS)

    Guo, Yisong; Brecht, Eric; Aznavour, Kristen; Nix, Jay C.; Xiao, Yuming; Wang, Hongxin; George, Simon J.; Bau, Robert; Keable, Stephen; Peters, John W.; Adams, Michael W. W.; , Francis E. Jenney, Jr.; Sturhahn, Wolfgang; Alp, Ercan E.; Zhao, Jiyong; Yoda, Yoshitaka; Cramer, Stephen P.

    2013-12-01

    We have applied 57Fe nuclear resonance vibrational spectroscopy (NRVS) for the first time to study the dynamics of Fe centers in Iron-sulfur protein crystals, including oxidized wild type rubredoxin crystals from Pyrococcus furiosus, and the MoFe protein of nitrogenase from Azotobacter vinelandii. Thanks to the NRVS selection rule, selectively probed vibrational modes have been observed in both oriented rubredoxin and MoFe protein crystals. The NRVS work was complemented by extended X-ray absorption fine structure spectroscopy (EXAFS) measurements on oxidized wild type rubredoxin crystals from Pyrococcus furiosus. The EXAFS spectra revealed the Fe-S bond length difference in oxidized Pf Rd protein, which is qualitatively consistent with the crystal structure.

  18. Reflectance spectroscopy with polarized light: is it sensitive to cellular and nuclear morphology

    NASA Astrophysics Data System (ADS)

    Sokolov, Konstantin; Drezek, Rebekah A.; Gossage, Kirk; Richards-Kortum, Rebecca R.

    1999-12-01

    We present a method for selective detection of size-dependent scattering characteristics of epithelial cells in vivo based on polarized illumination and polarization sensitive detection of scattered light. We illustrate the method using phantoms designed to simulate squamous epithelial tissue and progressing to epithelial tissue in vitro and in vivo. Elastic light scattering spectroscopy with polarized illumination/detection dramatically reduces background signals due to both diffuse stromal scattering and hemoglobin absorption. Resulting spectra can be described as a linear combination of forward and backscattering components determined from Mie theory. Nuclear sizes and refractive indices extracted by fitting experimental spectra to this model agree well with previous measurements. Reflectance spectroscopy with polarized light can provide quantitative morphological information which could potentially be used for non-invasive detection of neoplastic changes.

  19. Surface Binding of TOTAPOL Assists Structural Investigations of Amyloid Fibrils by Dynamic Nuclear Polarization NMR Spectroscopy.

    PubMed

    Nagaraj, Madhu; Franks, Trent W; Saeidpour, Siavash; Schubeis, Tobias; Oschkinat, Hartmut; Ritter, Christiane; van Rossum, Barth-Jan

    2016-07-15

    Dynamic nuclear polarization (DNP) NMR can enhance sensitivity but often comes at the price of a substantial loss of resolution. Two major factors affect spectral quality: low-temperature heterogeneous line broadening and paramagnetic relaxation enhancement (PRE) effects. Investigations by NMR spectroscopy, isothermal titration calorimetry (ITC), and EPR revealed a new substantial affinity of TOTAPOL to amyloid surfaces, very similar to that shown by the fluorescent dye thioflavin-T (ThT). As a consequence, DNP spectra with remarkably good resolution and still reasonable enhancement could be obtained at very low TOTAPOL concentrations, typically 400 times lower than commonly employed. These spectra yielded several long-range constraints that were difficult to obtain without DNP. Our findings open up new strategies for structural studies with DNP NMR spectroscopy on amyloids that can bind the biradical with affinity similar to that shown towards ThT. PMID:27147408

  20. Intermediate Coupling For Core-Level Excited States: Consequences For X-Ray Absorption Spectroscopy

    SciTech Connect

    Bagus, Paul S.; Sassi, Michel JPC; Rosso, Kevin M.

    2015-04-15

    The origin of the complex NEXAFS features of X-Ray Absorption, XAS, spectra in transition metal complexes is analyzed and interpreted in terms of the angular momentum coupling of the open shell electrons. Especially for excited configurations where a core-electron is promoted to an open valence shell, the angular momentum coupling is intermediate between the two limits of Russell- Saunders, RS, coupling where spin-orbit splitting of the electron shells is neglected and j-j coupling where this splitting is taken as dominant. The XAS intensities can be understood in terms of two factors: (1) The dipole selection rules that give the allowed excited RS multiplets and (2) The contributions of these allowed multiplets to the wavefunctions of the intermediate coupled levels. It is shown that the origin of the complex XAS spectra is due to the distribution of the RS allowed multiplets over several different intermediate coupled excited levels. The specific case that is analyzed is the L2,3 edge XAS of an Fe3+ cation, because this cation allows a focus on the angular momentum coupling to the exclusion of other effects; e.g., chemical bonding. Arguments are made that the properties identified for this atomic case are relevant for more complex materials. The analysis is based on the properties of fully relativistic, ab initio, many-body wavefunctions for the initial and final states of the XAS process. The wavefunction properties considered include the composition of the wavefunctions in terms of RS multiplets and the occupations of the spin-orbit split open shells; the latter vividly show whether the coupling is j-j or not.

  1. Characterization of humic acid fractions by C-13 nuclear magnetic resonance spectroscopy

    USGS Publications Warehouse

    Wershaw, R. L.; Thorn, K.A.; Pinckney, D.J.

    1988-01-01

    Soil humic acids from different environments were fractionated by adsorption chromatography on Sephadex and characterized by C-13 nuclear magnetic resonance (NMR) spectroscopy. The C-13 NMR spectra of the fractions consist of some sharp, well-resolved lines and some broad bands in contrast to the spectra of the unfractionated humic acids, where the bands are broader and less well-resolved. The marked increase in resolution is apparently due to increased homogeneity of the fractions. These spectra are compared to the spectra of model compounds.

  2. Analyses of the Dynamic Properties of Nuclear Lamins by Fluorescence Recovery After Photobleaching (FRAP) and Fluorescence Correlation Spectroscopy (FCS).

    PubMed

    Takeshi, Shimi; Pack, Chan-Gi; Goldman, Robert D

    2016-01-01

    The major structural components of the nuclear lamina are the A- and B-type nuclear lamin proteins which are also present in the nucleoplasm. Studies of molecular movements of the lamins in both the lamina and nucleoplasm of living cell nuclei have provided insights into their roles in maintaining nuclear architecture. In this chapter, we present protocols for quantitatively measuring the mobilities of lamin proteins by fluorescence recovery after photobleaching (FRAP) and fluorescence correlation spectroscopy (FCS) in mammalian cell nuclei. PMID:27147036

  3. Nuclear safety analyses and core design calculations to convert the Texas A & M University Nuclear Science Center reactor to low enrichment uranium fuel. Final report

    SciTech Connect

    Parish, T.A.

    1995-03-02

    This project involved performing the nuclear design and safety analyses needed to modify the license issued by the Nuclear Regulatory Commission to allow operation of the Texas A& M University Nuclear Science Center Reactor (NSCR) with a core containing low enrichment uranium (LEU) fuel. The specific type of LEU fuel to be considered was the TRIGA 20-20 fuel produced by General Atomic. Computer codes for the neutronic analyses were provided by Argonne National Laboratory (ANL) and the assistance of William Woodruff of ANL in helping the NSCR staff to learn the proper use of the codes is gratefully acknowledged. The codes applied in the LEU analyses were WIMSd4/m, DIF3D, NCTRIGA and PARET. These codes allowed full three dimensional, temperature and burnup dependent calculations modelling the NSCR core to be performed for the first time. In addition, temperature coefficients of reactivity and pulsing calculations were carried out in-house, whereas in the past this modelling had been performed at General Atomic. In order to benchmark the newly acquired codes, modelling of the current NSCR core with highly enriched uranium fuel was also carried out. Calculated results were compared to both earlier licensing calculations and experimental data and the new methods were found to achieve excellent agreement with both. Therefore, even if an LEU core is never loaded at the NSCR, this project has resulted in a significant improvement in the nuclear safety analysis capabilities established and maintained at the NSCR.

  4. Temperature dependent electron delocalization in CdSe/CdS type-I core-shell systems: An insight from scanning tunneling spectroscopy

    NASA Astrophysics Data System (ADS)

    Kundu, Biswajit; Chakrabarti, Sudipto; Pal, Amlan J.

    2016-03-01

    Core-shell nanocrystals having a type-I band-alignment confine charge carriers to the core. In this work, we choose CdSe/CdS core-shell nano-heterostructures that evidence confinement of holes only. Such a selective confinement occurs in the core-shell nanocrystals due to a low energy-offset of conduction band (CB) edges resulting in delocalization of electrons and thus a decrease in the conduction band-edge. Since the delocalization occurs through a thermal assistance, we study temperature dependence of selective delocalization process through scanning tunneling spectroscopy. From the density of states (DOS), we observe that the electrons are confined to the core at low temperatures. Above a certain temperature, they become delocalized up to the shell leading to a decrease in the CB of the core-shell system due to widening of quantum confinement effect. With holes remaining confined to the core due to a large offset in the valence band (VB), we record the topography of the core-shell nanocrystals by probing their CB and VB edges separately. The topographies recorded at different temperatures representing wave-functions of electrons and holes corresponded to the results obtained from the DOS spectra. The results evidence temperature-dependent wave-function delocalization of one-type of carriers up to the shell layer in core-shell nano-heterostructures.

  5. Single and double core-hole ion emission spectroscopy of transient neon plasmas produced by ultraintense x-ray laser pulses

    NASA Astrophysics Data System (ADS)

    Gao, Cheng; Zeng, Jiaolong; Yuan, Jianmin

    2016-05-01

    Single core-hole (SCH) and double core-hole (DCH) spectroscopy is investigated systematically for neon gas in the interaction with ultraintense x-ray pulses with photon energy from 937 eV to 2000 eV. A time-dependent rate equation, implemented in the detailed level accounting approximation, is utilized to study the dynamical evolution of the level population and emission properties of the laser-produced highly transient plasmas. The plasma density effects on level populations are demonstrated with an x-ray photon energy of 2000 eV. For laser photon energy in the range of 937 - 1360 eV, resonant absorptions (RA) of 1s-np (n> = 2) transitions play important roles in time evolution of the population and DCH emission spectroscopy. For x-ray photon energy larger than 1360 eV, no RA exist and transient plasmas show different features in the DCH spectroscopy.

  6. Phonon effects on x-ray absorption and nuclear magnetic resonance spectroscopies

    NASA Astrophysics Data System (ADS)

    Nemausat, Ruidy; Cabaret, Delphine; Gervais, Christel; Brouder, Christian; Trcera, Nicolas; Bordage, Amélie; Errea, Ion; Mauri, Francesco

    2015-10-01

    In material sciences, spectroscopic approaches combining ab initio calculations with experiments are commonly used to accurately analyze the experimental spectral data. Most state-of-the-art first-principles calculations are usually performed assuming an equilibrium static lattice. Yet, nuclear motion affects spectra even when reduced to the zero-point motion at 0 K. We propose a framework based on density-functional theory that includes quantum thermal fluctuations in theoretical x-ray absorption near-edge structure (XANES) and solid-state nuclear magnetic resonance (NMR) spectroscopies and allows to well describe temperature effects observed experimentally. Within the Born-Oppenheimer and quasiharmonic approximations, we incorporate the nuclear motion by generating several nonequilibrium configurations from the dynamical matrix. The averaged calculated XANES and NMR spectral data have been compared to experiments in MgO. The good agreement obtained between experiments and calculations validates the developed approach, which suggests that calculating the XANES spectra at finite temperature by averaging individual nonequilibrium configurations is a suitable approximation. This study highlights the relevance of phonon renormalization and the relative contributions of thermal expansion and nuclear dynamics on NMR and XANES spectra on a wide range of temperatures.

  7. Heat shock-induced interactions among nuclear HSFs detected by fluorescence cross-correlation spectroscopy

    SciTech Connect

    Pack, Chan-Gi; Ahn, Sang-Gun

    2015-07-31

    The cellular response to stress is primarily controlled in cells via transcriptional activation by heat shock factor 1 (HSF1). HSF1 is well-known to form homotrimers for activation upon heat shock and subsequently bind to target DNAs, such as heat-shock elements, by forming stress granules. A previous study demonstrated that nuclear HSF1 and HSF2 molecules in live cells interacted with target DNAs on the stress granules. However, the process underlying the binding interactions of HSF family in cells upon heat shock remains unclear. This study demonstrate for the first time that the interaction kinetics among nuclear HSF1, HSF2, and HSF4 upon heat shock can be detected directly in live cells using dual color fluorescence cross-correlation spectroscopy (FCCS). FCCS analyses indicated that the binding between HSFs was dramatically changed by heat shock. Interestingly, the recovery kinetics of interaction between HSF1 molecules after heat shock could be represented by changes in the relative interaction amplitude and mobility. - Highlights: • The binding interactions among nuclear HSFs were successfully detected. • The binding kinetics between HSF1s during recovery was quantified. • HSF2 and HSF4 strongly formed hetero-complex, even before heat shock. • Nuclear HSF2 and HSF4 bound to HSF1 only after heat shock.

  8. Time differentiated nuclear resonance spectroscopy coupled with pulsed laser heating in diamond anvil cells.

    PubMed

    Kupenko, I; Strohm, C; McCammon, C; Cerantola, V; Glazyrin, K; Petitgirard, S; Vasiukov, D; Aprilis, G; Chumakov, A I; Rüffer, R; Dubrovinsky, L

    2015-11-01

    Developments in pulsed laser heating applied to nuclear resonance techniques are presented together with their applications to studies of geophysically relevant materials. Continuous laser heating in diamond anvil cells is a widely used method to generate extreme temperatures at static high pressure conditions in order to study the structure and properties of materials found in deep planetary interiors. The pulsed laser heating technique has advantages over continuous heating, including prevention of the spreading of heated sample and/or the pressure medium and, thus, a better stability of the heating process. Time differentiated data acquisition coupled with pulsed laser heating in diamond anvil cells was successfully tested at the Nuclear Resonance beamline (ID18) of the European Synchrotron Radiation Facility. We show examples applying the method to investigation of an assemblage containing ε-Fe, FeO, and Fe3C using synchrotron Mössbauer source spectroscopy, FeCO3 using nuclear inelastic scattering, and Fe2O3 using nuclear forward scattering. These examples demonstrate the applicability of pulsed laser heating in diamond anvil cells to spectroscopic techniques with long data acquisition times, because it enables stable pulsed heating with data collection at specific time intervals that are synchronized with laser pulses. PMID:26628151

  9. Time differentiated nuclear resonance spectroscopy coupled with pulsed laser heating in diamond anvil cells

    SciTech Connect

    Kupenko, I. Strohm, C.; McCammon, C.; Cerantola, V.; Petitgirard, S.; Dubrovinsky, L.; Glazyrin, K.; Vasiukov, D.; Aprilis, G.; Chumakov, A. I.; Rüffer, R.

    2015-11-15

    Developments in pulsed laser heating applied to nuclear resonance techniques are presented together with their applications to studies of geophysically relevant materials. Continuous laser heating in diamond anvil cells is a widely used method to generate extreme temperatures at static high pressure conditions in order to study the structure and properties of materials found in deep planetary interiors. The pulsed laser heating technique has advantages over continuous heating, including prevention of the spreading of heated sample and/or the pressure medium and, thus, a better stability of the heating process. Time differentiated data acquisition coupled with pulsed laser heating in diamond anvil cells was successfully tested at the Nuclear Resonance beamline (ID18) of the European Synchrotron Radiation Facility. We show examples applying the method to investigation of an assemblage containing ε-Fe, FeO, and Fe{sub 3}C using synchrotron Mössbauer source spectroscopy, FeCO{sub 3} using nuclear inelastic scattering, and Fe{sub 2}O{sub 3} using nuclear forward scattering. These examples demonstrate the applicability of pulsed laser heating in diamond anvil cells to spectroscopic techniques with long data acquisition times, because it enables stable pulsed heating with data collection at specific time intervals that are synchronized with laser pulses.

  10. GPU Based General-Purpose Parallel computing to Solve Nuclear Reactor In-Core fuel Management Design and Operation Problem

    SciTech Connect

    Prayudhatama, D.; Waris, A.; Kurniasih, N.; Kurniadi, R.

    2010-06-22

    In-core fuel management study is a crucial activity in nuclear power plant design and operation. Its common problem is to find an optimum arrangement of fuel assemblies inside the reactor core. Main objective for this activity is to reduce the cost of generating electricity, which can be done by altering several physical properties of the nuclear reactor without violating any of the constraints imposed by operational and safety considerations. This research try to address the problem of nuclear fuel arrangement problem, which is, leads to the multi-objective optimization problem. However, the calculation of the reactor core physical properties itself is a heavy computation, which became obstacle in solving the optimization problem by using genetic algorithm optimization.This research tends to address that problem by using the emerging General Purpose Computation on Graphics Processing Units (GPGPU) techniques implemented by C language for CUDA (Compute Unified Device Architecture) parallel programming. By using this parallel programming technique, we develop parallelized nuclear reactor fitness calculation, which is involving numerical finite difference computation. This paper describes current prototype of the parallel algorithm code we have developed on CUDA, that performs one hundreds finite difference calculation for nuclear reactor fitness evaluation in parallel by using GPU G9 Hardware Series developed by NVIDIA.

  11. Osiris: A Modern, High-Performance, Coupled, Multi-Physics Code For Nuclear Reactor Core Analysis

    SciTech Connect

    Procassini, R J; Chand, K K; Clouse, C J; Ferencz, R M; Grandy, J M; Henshaw, W D; Kramer, K J; Parsons, I D

    2007-02-26

    To meet the simulation needs of the GNEP program, LLNL is leveraging a suite of high-performance codes to be used in the development of a multi-physics tool for modeling nuclear reactor cores. The Osiris code project, which began last summer, is employing modern computational science techniques in the development of the individual physics modules and the coupling framework. Initial development is focused on coupling thermal-hydraulics and neutral-particle transport, while later phases of the project will add thermal-structural mechanics and isotope depletion. Osiris will be applicable to the design of existing and future reactor systems through the use of first-principles, coupled physics models with fine-scale spatial resolution in three dimensions and fine-scale particle-energy resolution. Our intent is to replace an existing set of legacy, serial codes which require significant approximations and assumptions, with an integrated, coupled code that permits the design of a reactor core using a first-principles physics approach on a wide range of computing platforms, including the world's most powerful parallel computers. A key research activity of this effort deals with the efficient and scalable coupling of physics modules which utilize rather disparate mesh topologies. Our approach allows each code module to use a mesh topology and resolution that is optimal for the physics being solved, and employs a mesh-mapping and data-transfer module to effect the coupling. Additional research is planned in the area of scalable, parallel thermal-hydraulics, high-spatial-accuracy depletion and coupled-physics simulation using Monte Carlo transport.

  12. Monitoring lactic acid production during milk fermentation by in situ quantitative proton nuclear magnetic resonance spectroscopy.

    PubMed

    Bouteille, R; Gaudet, M; Lecanu, B; This, H

    2013-04-01

    When fermenting milk, lactic bacteria convert part of α- and β-lactoses into d- and l- lactic acids, causing a pH decrease responsible for casein coagulation. Lactic acid monitoring during fermentation is essential for the control of dairy gel textural and organoleptic properties, and is a way to evaluate strain efficiency. Currently, titrations are used to follow the quantity of acids formed during jellification of milk but they are not specific to lactic acid. An analytical method without the use of any reagent was investigated to quantify lactic acid during milk fermentation: in situ quantitative proton nuclear magnetic resonance spectroscopy. Two methods using in situ quantitative proton nuclear magnetic resonance spectroscopy were compared: (1) d- and l-lactic acids content determination, using the resonance of their methyl protons, showing an increase from 2.06 ± 0.02 to 8.16 ± 0.74 g/L during 240 min of fermentation; and (2) the determination of the α- and β-lactoses content, decreasing from 42.68 ± 0.02 to 30.76 ± 1.75 g/L for the same fermentation duration. The ratio between the molar concentrations of produced lactic acids and consumed lactoses enabled cross-validation, as the value (2.02 ± 0.18) is consistent with lactic acid bacteria metabolism. PMID:23403188

  13. UV and blue-enhanced avalanche photodiodes for nuclear spectroscopy applications

    NASA Astrophysics Data System (ADS)

    Gramsch, Ernesto; Avila, R. E.

    Avalanche photodiodes of the bevel-edge type have been developed with improved blue and UV response. The detectors have been characterized for use in low-light level applications such as nuclear spectroscopy. An etching technique not used before in avalanche photodiodes has been used to obtain improved blue and UV response. Quantum efficiency up to 40% has been obtained above 200 nm. The gain and dark current are dependent on external voltage, and gains up to 400 are obtained at 1980 V without excess noise, and breakdown occurs at ˜2000 V. The detector exhibits low noise and fast response, necessary for use in nuclear spectroscopy systems. The energy resolution from a 57Co gamma-ray source was measured to be 942 eV (6.4 keV X-rays), which corresponds to 111 r.m.s. noise electrons at the input. We measured the energy resolution of the detector coupled with a 3×3×3 mm 3 BGO scintillator from a 22Na gamma-ray source. The energy resolution at the 511 keV line was 12.5%, which is comparable to photomultiplier tubes coupled to a scintillator of the same size. The resolution with a 3×3×25 mm 3 LSO scintillator was also measured, the energy resolution at 511 keV was 12.1%.

  14. A fast, programmable, stand-alone pulse generator emulating spectroscopy nuclear events

    SciTech Connect

    Imperiale, C.

    1996-10-01

    The design of a fast, programmable, stand-alone pulse generator emulating spectroscopy nuclear events is described. The generator is one unit in a system aiming to test the validity of the simulation and theoretical work relating to the shaping, acquisition, and processing of spectroscopy signals in different experimental situations arising from different technical and scientific fields. The generator output, which also includes piled-up shapes, can be used in many different ways. For example, it can be used: (1) as an input to a charge sensitive preamplifier and shaping amplifier system; (2) as an input to a module for real-time digital shaping of spectroscopy pulses; and (3) it can generate a digital sequence emulating a digitally sampled analog pulse. The signals that it can emulate include those from simple charge sensitive preamplifiers, from more refined analog shapers, and the signals generated directly from scintillation detectors. The main element of the generator is the Analog Devices 21060, a fast and flexible digital signal processor (DSP). This paper considers various generator configurations arising from the need to reach a compromise among generator speed, shape resolution, and memory requirements. It is possible to program both the emulated average counting rate and the time interval between two consecutive samples (tns) using a predetermined pulse shape. The minimum tns value is equal to 10 ns in parallel configurations.

  15. Insights into the nature of radar attenuation through impure ice from broadband dielectric spectroscopy of polar ice cores

    NASA Astrophysics Data System (ADS)

    Stillman, D.; MacGregor, J. A.; Grimm, R. E.

    2011-12-01

    Water ice is ubiquitous in our solar system and is a key target for planetary radar sounders. A primary unknown in many radar surveys is the energy loss due to conduction (attenuation) within the medium being studied. Electrical conduction through ice is controlled by the mobility, concentration and charge of lattice- and water-soluble impurities. Despite extensive study of the physical and chemical characteristics of lab-frozen and naturally forming ices, several questions have remained as to which impurities can increase conduction and the mechanisms by which this conduction occurs. Here we investigate the role of impurities in electrical conduction using broadband dielectric spectroscopy of terrestrial polar ice cores and report several findings of interest to present and future radar investigations of extraterrestrial ice masses. 1. The dielectric strength of meteoric ice-core samples we studied was often much less than that of pure lab-frozen ice, which suggests that the balance of minority and majority charge carriers in naturally forming ice is much closer to being "crossed-over" than previously realized. 2. Samples with high acid concentrations also have high HF conductivities due to an increase in L-defects caused by chloride, i.e., the ionic defects induced by acid in the lattice partition more chloride into the lattice for charge balance. This behavior explains the larger HF conductivity of acids per unit concentration versus that of chloride and their similar activation energies. 3. The DC conductivity of polar ice is much lower than reported previously from in situ Antarctic field surveys, and is best explained if conduction from acids arises from ionic defects in the ice lattice, rather than through liquid networks. Its conductivity is much less than that of single crystal ice because of the low conductivity of grain boundaries through which charges must migrate. 4. In nearly all the meteoric ice-core samples that we studied, we observed two

  16. Orbital dependent ultrafast charge transfer dynamics of ferrocenyl-functionalized SAMs on gold studied by core-hole clock spectroscopy

    NASA Astrophysics Data System (ADS)

    Cao, Liang; Yang, Ming; Yuan, Li; Nerngchamnong, Nisachol; Feng, Yuan-Ping; Wee, Andrew T. S.; Qi, Dong-Chen; Nijhuis, Christian A.

    2016-03-01

    Understanding the charge transport properties in general of different molecular components in a self-assembled monolayer (SAM) is of importance for the rational design of SAM molecular structures for molecular electronics. In this study, we study an important aspect of the charge transport properties, i.e. the charge transfer (CT) dynamics between the active molecular component (in this case, the ferrocenyl moieties of a ferrocenyl-n-alkanethiol SAM) and the electrode using synchrotron-based core-hole clock (CHC) spectroscopy. The characteristic CT times are found to depend strongly on the character of the ferrocenyl-derived molecular orbitals (MOs) which mediate the CT process. Furthermore, by systemically shifting the position of the ferrocenyl moiety in the SAM, it is found that the CT characteristics of the ferrocenyl MOs display distinct dependence on its distance to the electrode. These results demonstrate experimentally that the efficiency and rate of charge transport through the molecular backbone can be modulated by resonant injection of charge carriers into specific MOs.

  17. Dynamic Nuclear Polarization (DNP) solid-state NMR spectroscopy, a new approach to study humic material?

    NASA Astrophysics Data System (ADS)

    Knicker, Heike; Lange, Sascha; van Rossum, Barth; Oschkinat, Hartmut

    2016-04-01

    Compared to solution NMR spectroscopy, solid-state NMR spectra suffer from broad resonance lines and low resolution. This could be overcome by the use of 2-dimenstional solid-state NMR pulse sequences. Until recently, this approach has been unfeasible as a routine tool in soil chemistry, mainly because of the low NMR sensitivity of the respective samples. A possibility to circumvent those sensitivity problems represents high-field Dynamic Nuclear Polarization (DNP) solid-state NMR spectroscopy (Barnes et al., 2008), allowing considerable signal enhancements (Akbey et al., 2010). This is achieved by a microwave-driven transfer of polarization from a paramagnetic center to nuclear spins. Application of DNP to MAS spectra of biological systems (frozen solutions) showed enhancements of the factor 40 to 50 (Hall et al., 1997). Enhancements of this magnitude, thus may enable the use of at least some of the 2D solid-state NMR techniques that are presently already applied for pure proteins but are difficult to apply to soil peptides in their complex matrix. After adjusting the required acquisition parameters to the system "soil organic matter", lower but still promising enhancement factors were achieved. Additional optimization was performed and allowed the acquisition of 2D 13C and 15N solid-state NMR spectra of humified 13C and 15N enriched plant residues. Within the present contribution, the first solid-state DNP NMR spectra of humic material are presented. Those data demonstrate the great potential of this approach which certainly opens new doors for a better understanding of biochemical processes in soils, sediments and water. Akbey, Ü., Franks, W.T., Linden, A., Lange, S., Griffin, R.G., van Rossum, B.-J., Oschkinat, H., 2010. Dynamic nuclear polarization of deuterated proteins. Angewandte Chemie International Edition 49, 7803-7806. Barnes, A.B., De Paëpe, G., van der Wel, P.C.A., Hu, K.N., Joo, C.G., Bajaj, V.S., Mak-Jurkauskas, M.L., Sirigiri, J.R., Herzfeld, J

  18. Physics-based multiscale coupling for full core nuclear reactor simulation

    SciTech Connect

    Gaston, Derek R.; Permann, Cody J.; Peterson, John W.; Slaughter, Andrew E.; Andrš, David; Wang, Yaqi; Short, Michael P.; Perez, Danielle M.; Tonks, Michael R.; Ortensi, Javier; Zou, Ling; Martineau, Richard C.

    2015-10-01

    Numerical simulation of nuclear reactors is a key technology in the quest for improvements in efficiency, safety, and reliability of both existing and future reactor designs. Historically, simulation of an entire reactor was accomplished by linking together multiple existing codes that each simulated a subset of the relevant multiphysics phenomena. Recent advances in the MOOSE (Multiphysics Object Oriented Simulation Environment) framework have enabled a new approach: multiple domain-specific applications, all built on the same software framework, are efficiently linked to create a cohesive application. This is accomplished with a flexible coupling capability that allows for a variety of different data exchanges to occur simultaneously on high performance parallel computational hardware. Examples based on the KAIST-3A benchmark core, as well as a simplified Westinghouse AP-1000 configuration, demonstrate the power of this new framework for tackling—in a coupled, multiscale manner—crucial reactor phenomena such as CRUD-induced power shift and fuel shuffle. 2014 The Authors. Published by Elsevier Ltd. This is an open access article under the CC BY-NC-SA license

  19. Physics-based multiscale coupling for full core nuclear reactor simulation

    DOE PAGESBeta

    Gaston, Derek R.; Permann, Cody J.; Peterson, John W.; Slaughter, Andrew E.; Andrš, David; Wang, Yaqi; Short, Michael P.; Perez, Danielle M.; Tonks, Michael R.; Ortensi, Javier; et al

    2015-10-01

    Numerical simulation of nuclear reactors is a key technology in the quest for improvements in efficiency, safety, and reliability of both existing and future reactor designs. Historically, simulation of an entire reactor was accomplished by linking together multiple existing codes that each simulated a subset of the relevant multiphysics phenomena. Recent advances in the MOOSE (Multiphysics Object Oriented Simulation Environment) framework have enabled a new approach: multiple domain-specific applications, all built on the same software framework, are efficiently linked to create a cohesive application. This is accomplished with a flexible coupling capability that allows for a variety of different datamore » exchanges to occur simultaneously on high performance parallel computational hardware. Examples based on the KAIST-3A benchmark core, as well as a simplified Westinghouse AP-1000 configuration, demonstrate the power of this new framework for tackling—in a coupled, multiscale manner—crucial reactor phenomena such as CRUD-induced power shift and fuel shuffle. 2014 The Authors. Published by Elsevier Ltd. This is an open access article under the CC BY-NC-SA license« less

  20. The use of nuclear magnetic resonance spectroscopy in the detection of drug intoxication.

    PubMed

    Komoroski, E M; Komoroski, R A; Valentine, J L; Pearce, J M; Kearns, G L

    2000-04-01

    The use of nuclear magnetic resonance (NMR) spectroscopy as a method for drug analysis has the advantages of reduced pre-analytical preparation time and the potential to detect and quantitate drug conjugates and metabolites simultaneously. NMR was investigated as a method to screen for organic substances (and metabolites) in 25 patients who presented to the Emergency Department with clinical indications of a drug overdose. Urine specimens were examined by 1H NMR spectroscopy at 300 MHz and the results compared with gas chromatography-mass spectrometry (GC-MS) results. There was a 56% concordance (14 of 25 samples) between NMR and GC-MS. NMR identified acetaminophen, ibuprofen, aspirin, valproate, carbamazepine, and pseudoephedrine as parent compounds or metabolites. For a patient for whom GC-MS results were negative, NMR strongly suggested the presence of erythromycin. NMR was most successful in identifying analgesics and antiepileptic drugs (sensitivity 83-100%). In 10 patients, signals from 1,2-propanediol, a common vehicle for some pediatric medications, were observed by NMR spectroscopy. NMR had 0% sensitivity in identifying tricyclic antidepressants and antipsychotic drugs. In these samples, GC-MS detected a variety of compounds, including tricyclic antidepressants and their metabolites and chlorpromazine. In addition, other substances that had not been disclosed as having been ingested, such as caffeine, diphenhydramine, and nicotine, were detected by GC-MS. NMR spectroscopy represents an emerging supplementary analytical technique that is applicable to a wide range of possible intoxicants and to the evaluation of the intoxicated patient, particularly when larger amounts of the intoxicant (> 200 mg) are ingested. PMID:10774537

  1. Core-level spectroscopy investigation of the Mo{sub 0.75}Re{sub 0.25}(100) surface

    SciTech Connect

    Lyman, P.F.; Zehner, D.M.

    1993-10-01

    Preferential surface segregation in the Mo{sub 0.75}(100) surface region was investigated using high-resolution core-level spectroscopy with synchrotron radiation. The magnitude and direction of the surface core-level shifts observed in this study can be qualitatively understood by comparison to W and Mo core-level shifts. Measured core-level intensities are found to be consistent with the segregation of Mo to the surface of the alloy, with an enrichment of Re in the second layer (as found in previous investigations). It is inferred that both Tc and Os will segregate to the Mo{sub 0.75}Re{sub 0.25}(100) surface.

  2. Exploring laser-induced breakdown spectroscopy for nuclear materials analysis and in-situ applications

    SciTech Connect

    Martin, Madhavi Z; Allman, Steve L; Brice, Deanne Jane; Martin, Rodger Carl; Andre, Nicolas O

    2012-01-01

    Laser-induced breakdown spectroscopy (LIBS) has been used to determine the limits of detection of strontium (Sr) and cesium (Cs), common nuclear fission products. Additionally, detection limits were determined for cerium (Ce), often used as a surrogate for radioactive plutonium in laboratory studies. Results were obtained using a laboratory instrument with a Nd:YAG laser at fundamental wavelength of 1064 nm, frequency doubled to 532 nm with energy of 50 mJ/pulse. The data was compared for different concentrations of Sr and Ce dispersed in a CaCO3 (white) and carbon (black) matrix. We have addressed the sampling errors, limits of detection, reproducibility, and accuracy of measurements as they relate to multivariate analysis in pellets that were doped with the different elements at various concentrations. These results demonstrate that LIBS technique is inherently well suited for in situ analysis of nuclear materials in hot cells. Three key advantages are evident: (1) small samples (mg) can be evaluated; (2) nuclear materials can be analyzed with minimal sample preparation; and (3) samples can be remotely analyzed very rapidly (ms-seconds). Our studies also show that the methods can be made quantitative. Very robust multivariate models have been used to provide quantitative measurement and statistical evaluation of complex materials derived from our previous research on wood and soil samples.

  3. Exploring laser-induced breakdown spectroscopy for nuclear materials analysis and in-situ applications

    NASA Astrophysics Data System (ADS)

    Martin, Madhavi Z.; Allman, Steve; Brice, Deanne J.; Martin, Rodger C.; Andre, Nicolas O.

    2012-08-01

    Laser-induced breakdown spectroscopy (LIBS) has been used to determine the limits of detection of strontium (Sr) and cesium (Cs), common nuclear fission products. Additionally, detection limits were determined for cerium (Ce), often used as a surrogate for radioactive plutonium in laboratory studies. Results were obtained using a laboratory instrument with a Nd:YAG laser at fundamental wavelength of 1064 nm, frequency doubled to 532 nm with energy of 50 mJ/pulse. The data was compared for different concentrations of Sr and Ce dispersed in a CaCO3 (white) and carbon (black) matrix. We have addressed the sampling errors, limits of detection, reproducibility, and accuracy of measurements as they relate to multivariate analysis in pellets that were doped with the different elements at various concentrations. These results demonstrate that LIBS technique is inherently well suited for in situ analysis of nuclear materials in hot cells. Three key advantages are evident: (1) small samples (mg) can be evaluated; (2) nuclear materials can be analyzed with minimal sample preparation; and (3) samples can be remotely analyzed very rapidly (ms-seconds). Our studies also show that the methods can be made quantitative. Very robust multivariate models have been used to provide quantitative measurement and statistical evaluation of complex materials derived from our previous research on wood and soil samples.

  4. Nuclear dynamics in the core-excited state of aqueous ammonia probed by resonant inelastic soft x-ray scattering

    SciTech Connect

    Weinhardt, L.; Weigand, M.; Fuchs, O.; Baer, M.; Blum, M.; Denlinger, J. D.; Yang, W.; Umbach, E.; Heske, C.

    2011-09-01

    The electronic structure of aqueous NH{sub 3} and ND{sub 3} has been investigated using resonant inelastic soft x-ray scattering. Spectral features of different processes involving nuclear dynamics in the core-excited state can be identified. When exciting into the lowest core-excited state, we find a strong isotope effect and clear evidence for ultrafast proton dynamics. Furthermore, a strong vibronic coupling is observed and, in the case of aqueous NH{sub 3}, a vibrational fine structure can be resolved.

  5. 3D collapse of rotating stellar iron cores in general relativity including deleptonization and a nuclear equation of state.

    PubMed

    Ott, C D; Dimmelmeier, H; Marek, A; Janka, H-T; Hawke, I; Zink, B; Schnetter, E

    2007-06-29

    We present 2D and 3D simulations of the collapse of rotating stellar iron cores in general relativity employing a nuclear equation of state and an approximate treatment of deleptonization. We compare fully general relativistic and conformally flat evolutions and find that the latter treatment is sufficiently accurate for the core-collapse supernova problem. We focus on gravitational wave (GW) emission from rotating collapse, bounce, and early postbounce phases. Our results indicate that the GW signature of these phases is much more generic than previously estimated. We also track the growth of a nonaxisymmetric instability in one model, leading to strong narrow-band GW emission. PMID:17678077

  6. High accuracy modeling for advanced nuclear reactor core designs using Monte Carlo based coupled calculations

    NASA Astrophysics Data System (ADS)

    Espel, Federico Puente

    The main objective of this PhD research is to develop a high accuracy modeling tool using a Monte Carlo based coupled system. The presented research comprises the development of models to include the thermal-hydraulic feedback to the Monte Carlo method and speed-up mechanisms to accelerate the Monte Carlo criticality calculation. Presently, deterministic codes based on the diffusion approximation of the Boltzmann transport equation, coupled with channel-based (or sub-channel based) thermal-hydraulic codes, carry out the three-dimensional (3-D) reactor core calculations of the Light Water Reactors (LWRs). These deterministic codes utilize nuclear homogenized data (normally over large spatial zones, consisting of fuel assembly or parts of fuel assembly, and in the best case, over small spatial zones, consisting of pin cell), which is functionalized in terms of thermal-hydraulic feedback parameters (in the form of off-line pre-generated cross-section libraries). High accuracy modeling is required for advanced nuclear reactor core designs that present increased geometry complexity and material heterogeneity. Such high-fidelity methods take advantage of the recent progress in computation technology and coupled neutron transport solutions with thermal-hydraulic feedback models on pin or even on sub-pin level (in terms of spatial scale). The continuous energy Monte Carlo method is well suited for solving such core environments with the detailed representation of the complicated 3-D problem. The major advantages of the Monte Carlo method over the deterministic methods are the continuous energy treatment and the exact 3-D geometry modeling. However, the Monte Carlo method involves vast computational time. The interest in Monte Carlo methods has increased thanks to the improvements of the capabilities of high performance computers. Coupled Monte-Carlo calculations can serve as reference solutions for verifying high-fidelity coupled deterministic neutron transport methods

  7. Padé-Froissart exact signal-noise separation in nuclear magnetic resonance spectroscopy

    NASA Astrophysics Data System (ADS)

    Belkić, Dževad; Belkić, Karen

    2011-06-01

    Nuclear magnetic resonance spectroscopy is one of the key methods for studying the structure of matter on different levels (sub-nuclear, nuclear, atomic, molecular, cellular, etc). Its overall success critically depends upon reliable mathematical analysis and interpretation of the studied data. This is especially aided by parametric signal processing with the ensuing data quantification, which can yield the abundance or concentrations of the constituents in the examined matter. The sought reliability of signal processing rests upon the possibility of an accurate solution of the quantification problem alongside the unambiguous separation of true from false information in the spectrally analysed data. We presently demonstrate that the fast Padé transform (FPT), as the unique ratio of two polynomials for a given Maclaurin series, can yield exact signal-noise separation for a synthesized free induction decay curve built from 25 molecules. This is achieved by using the concept of Froissart doublets or pole-zero cancellations. Unphysical/spurious (noise or noise-like) resonances have coincident or near-coincident poles and zeros. They possess either zero- or near-zero-valued amplitudes. Such spectral structures never converge due to their instability against even the smallest perturbations. By contrast, upon convergence of the FPT, physical/genuine resonances are identified by their persistent stability against external perturbations, such as signal truncation or addition of random noise, etc. In practice, the computation is carried out by gradually and systematically increasing the common degree of the Padé numerator and denominator polynomials in the diagonal FPT. As this degree changes, the reconstructed parameters and spectra fluctuate until stabilization occurs. The polynomial degree at which this full stabilization is achieved represents the sought exact number of resonances. An illustrative set of results is reported in this work to show the exact separation of

  8. QED, Nuclear Size, and the Cosmos: Applications of High Precision Atomic Spectroscopy

    NASA Astrophysics Data System (ADS)

    Gillaspy, John

    2013-04-01

    I will survey some recent results from the Atomic Spectroscopy Group at NIST, focusing on topics that are most relevant to this Meeting, including evidence for a discrepancy between experiment and calculation based on three-body quantum electrodynamics (QED) [PRL, 109, 153001 (2012)], testing a method for determining nuclear sizes at the sub-attometer scale [PRL, 107, 023001 (2011)], and determining x-ray line ratios for astrophysical plasma diagnostics [ApJ, 728, 132 (2011)]. A common theme underlying these studies is to establish a basis for understanding discrepancies between prior results from various groups. This work was done in collaboration with S. Brewer, N. Brickhouse, R. Brown, C. Chantler, G.-X. Chen, A. Henins, L. Hudson, J. Kimpton, M. Kinnane, J. Laming, T. Lin, K. Makonyi, A. Payne, J. Pomeroy, J. Porto, C. Sansonetti, E. Silver, C. Simien, L. Smale, E. Takacs, J. Tan, L. Tedesco, and S. Wu.

  9. Communication: Vibrational and vibronic coherences in the two dimensional spectroscopy of coupled electron-nuclear motion

    NASA Astrophysics Data System (ADS)

    Albert, Julian; Falge, Mirjam; Gomez, Sandra; Sola, Ignacio R.; Hildenbrand, Heiko; Engel, Volker

    2015-07-01

    We theoretically investigate the photon-echo spectroscopy of coupled electron-nuclear quantum dynamics. Two situations are treated. In the first case, the Born-Oppenheimer (adiabatic) approximation holds. It is then possible to interpret the two-dimensional (2D) spectra in terms of vibrational motion taking place in different electronic states. In particular, pure vibrational coherences which are related to oscillations in the time-dependent third-order polarization can be identified. This concept fails in the second case, where strong non-adiabatic coupling leads to the breakdown of the Born-Oppenheimer-approximation. Then, the 2D-spectra reveal a complicated vibronic structure and vibrational coherences cannot be disentangled from the electronic motion.

  10. High-performance gamma spectroscopy for equipment retrieval from Hanford high-level nuclear waste tanks

    NASA Astrophysics Data System (ADS)

    Troyer, Gary L.; Hillesand, K. E.; Goodwin, S. G.; Kessler, S. F.; Killian, E. W.; Legare, D.; Nelson, Joseph V., Jr.; Richard, R. F.; Nordquist, E. M.

    1999-01-01

    The cleanup of high level defense nuclear waste at the Hanford site presents several progressive challenges. Among these is the removal and disposal of various components from buried active waste tanks to allow new equipment insertion or hazards mitigation. A unique automated retrieval system at the tank provides for retrieval, high pressure washing, inventory measurement, and containment for disposal. Key to the inventory measurement is a three detector HPGe high performance gamma spectroscopy system capable of recovering data at up to ninety per cent saturation (200,000 counts per second). Data recovery is based on a unique embedded electronic pulser and specialized software to report the inventory. Each of the detectors have different shielding specified through Monte Carlo simulation with the MCNP program. This shielding provides performance over a dynamic range of eight orders of magnitude. System description, calibration issues and operational experiences are discussed.

  11. Electron energy-loss spectroscopy of anomalous plutonium behavior in nuclear waste materials.

    PubMed

    Buck, Edgar C; Finn, Patricia A; Bates, John K

    2004-01-01

    Plutonium-enriched layer has been observed in corroded spent uranium oxide fuel (CSNF). These Pu-enriched regions were examined with analytical transmission electron microscopy combined with electron energy-loss spectroscopy (EELS). The enriched region also contained U, Am, Ru, Zr, but only minor enrichment of rare earth elements. The Pu, possibly as Pu(V) according to EELS measurements, was dispersed within re-precipitated uranium oxide (identified as U3O8) nano-crystals between U(VI) secondary phases and the CSNF surface. The U, Pu, and Am enrichment was observed in the corrosion products with tests on different nuclear fuels. This may have implications for the long-term behavior of CSNF under storage in a geologic waste repository. Furthermore, there may be an increased potential for the generation of Pu-bearing colloids from this type of weathered CSNF. PMID:15003610

  12. Electron Energy-loss Spectroscopy of Anomalous Plutonium Behavior in Nuclear Waste Materials

    SciTech Connect

    Buck, Edgar C.; Finn, patricia A.; Bates, John K.

    2004-06-01

    Plutonium-enriched layer has been observed in corroded spent uranium oxide fuel (CSNF). These Pu-enriched regions were examined with analytical transmission electron microscopy combined with electron energy-loss spectroscopy. The enriched region also contained U, Am, Ru, Zr, but only minor enrichment of rare earth elements. The Pu, possibly as Pu(V) according to EELS measurements, was dispersed within re-precipitated uranium oxide (identified as U3O8) nano-crystals between U(VI) secondary phases and the CSNF surface. The U, Pu, and Am enrichment was observed in the corrosion products with tests on different nuclear fuels. This may have implications for the long-term behavior of CSNF under storage in a geologic waste repository. Furthermore, there may be an increased potential for the generation of Pu-bearing colloids from this type of weathered CSNF.

  13. Nature versus nurture: functional assessment of restoration effects on wetland services using Nuclear Magnetic Resonance Spectroscopy

    USGS Publications Warehouse

    Sundareshwar, P.V.; Richardson, C.J.; Gleason, R.A.; Pellechia, P.J.; Honomichl, S.

    2009-01-01

    Land-use change has altered the ability of wetlands to provide vital services such as nutrient retention. While compensatory practices attempt to restore degraded wetlands and their functions, it is difficult to evaluate the recovery of soil biogeochemical functions that are critical for restoration of ecosystem services. Using solution 31P Nuclear Magnetic Resonance Spectroscopy, we examined the chemical forms of phosphorus (P) in soils from wetlands located across a land-use gradient. We report that soil P diversity, a functional attribute, was lowest in farmland, and greatest in native wetlands. Soil P diversity increased with age of restoration, indicating restoration of biogeochemical function. The trend in soil P diversity was similar to documented trends in soil bacterial taxonomic composition but opposite that of soil bacterial diversity at our study sites. These findings provide insights into links between ecosystem structure and function and provide a tool for evaluating the success of ecosystem restoration efforts. Copyright 2009 by the American Geophysical Union.

  14. Nuclear magnetic resonance spectroscopy in the Earth sciences: structure and dynamics.

    PubMed

    Stebbins, J F; Farnan, I

    1989-07-21

    Detailed knowledge of the structure and dynamics of the materials that make up the earth is necessary for fundamental understanding of most geological processes. Nuclear magnetic resonance spectroscopy is beginning to play an important role in investigations of inorganic solid materials, as well as of liquids and organic compounds; it has already contributed substantially to our knowledge of minerals and rocks, compositionally simplified analogs of magmas, and the surfaces of silicate crystals. The technique is particularly useful for determining local structure and ordering state in crystals, glasses, and liquids, and is sensitive to atomic motion at the time scales of diffusion and viscosity in silicates. New techniques offer promise for increased resolution for quadrupolar nuclei and for extension of experiments to high temperature and pressure. PMID:17834676

  15. Development of multichannel analyzer using sound card ADC for nuclear spectroscopy system

    SciTech Connect

    Ibrahim, Maslina Mohd; Yussup, Nolida; Lombigit, Lojius; Rahman, Nur Aira Abdul; Jaafar, Zainudin

    2014-02-12

    This paper describes the development of Multi-Channel Analyzer (MCA) using sound card analogue to digital converter (ADC) for nuclear spectroscopy system. The system was divided into a hardware module and a software module. Hardware module consist of detector NaI (Tl) 2” by 2”, Pulse Shaping Amplifier (PSA) and a build in ADC chip from readily available in any computers’ sound system. The software module is divided into two parts which are a pre-processing of raw digital input and the development of the MCA software. Band-pass filter and baseline stabilization and correction were implemented for the pre-processing. For the MCA development, the pulse height analysis method was used to process the signal before displaying it using histogram technique. The development and tested result for using the sound card as an MCA are discussed.

  16. Development of multichannel analyzer using sound card ADC for nuclear spectroscopy system

    NASA Astrophysics Data System (ADS)

    Ibrahim, Maslina Mohd; Yussup, Nolida; Lombigit, Lojius; Rahman, Nur Aira Abdul; Jaafar, Zainudin

    2014-02-01

    This paper describes the development of Multi-Channel Analyzer (MCA) using sound card analogue to digital converter (ADC) for nuclear spectroscopy system. The system was divided into a hardware module and a software module. Hardware module consist of detector NaI (Tl) 2" by 2", Pulse Shaping Amplifier (PSA) and a build in ADC chip from readily available in any computers' sound system. The software module is divided into two parts which are a pre-processing of raw digital input and the development of the MCA software. Band-pass filter and baseline stabilization and correction were implemented for the pre-processing. For the MCA development, the pulse height analysis method was used to process the signal before displaying it using histogram technique. The development and tested result for using the sound card as an MCA are discussed.

  17. Stability of succinylcholine solutions stored at room temperature studied by nuclear magnetic resonance spectroscopy.

    PubMed

    Adnet, Frederic; Le Moyec, Laurence; Smith, Charles E; Galinski, Michel; Jabre, Patricia; Lapostolle, Frederic

    2007-03-01

    The effect of storage temperature on the stability of two succinylcholine chloride solutions (20 and 50 mg/ml) was evaluated. Molecular composition was analysed using nuclear magnetic resonance spectroscopy. At room temperature, the degradation rate constant was 1.2%/month for the 20 mg/ml solution and 2.1%/month for the 50 mg/ml solution. The corresponding monthly degradation rates for the two solutions were 0.18% and 0.30% when stored at 4 degrees C, and 5.4% and 8.1% when stored at 37 degrees C. If a 10% loss of potency is considered acceptable, then the 20 and 50 mg/ml succinylcholine solutions can be stored in emergency resuscitation carts at room temperature for 8.3 and 4.8 months, respectively. PMID:17351219

  18. High-resolution (13)C nuclear magnetic resonance spectroscopy pattern recognition of fish oil capsules.

    PubMed

    Aursand, Marit; Standal, Inger B; Axelson, David E

    2007-01-10

    13C NMR (nuclear magnetic resonance) spectroscopy, in conjunction with multivariate analysis of commercial fish oil-related health food products, have been used to provide discrimination concerning the nature, composition, refinement, and/or adulteration or authentication of the products. Supervised (probabilistic neural networks, PNN) and unsupervised (principal component analysis, PCA; Kohonen neural networks; generative topographic mapping, GTM) pattern recognition techniques were used to visualize and classify samples. Simple PCA score plots demonstrated excellent, but not totally unambiguous, class distinctions, whereas Kohonen and GTM visualization provided better results. Quantitative class predictions with accuracies >95% were achieved with PNN analysis. Trout, salmon, and cod oils were completely and correctly classified. Samples reported to be salmon oils and cod liver oils did not cluster with true salmon and cod liver oil samples, indicating mislabeling or adulteration. PMID:17199311

  19. Communication: Vibrational and vibronic coherences in the two dimensional spectroscopy of coupled electron-nuclear motion

    SciTech Connect

    Albert, Julian; Falge, Mirjam; Hildenbrand, Heiko; Engel, Volker; Gomez, Sandra; Sola, Ignacio R.

    2015-07-28

    We theoretically investigate the photon-echo spectroscopy of coupled electron-nuclear quantum dynamics. Two situations are treated. In the first case, the Born-Oppenheimer (adiabatic) approximation holds. It is then possible to interpret the two-dimensional (2D) spectra in terms of vibrational motion taking place in different electronic states. In particular, pure vibrational coherences which are related to oscillations in the time-dependent third-order polarization can be identified. This concept fails in the second case, where strong non-adiabatic coupling leads to the breakdown of the Born-Oppenheimer-approximation. Then, the 2D-spectra reveal a complicated vibronic structure and vibrational coherences cannot be disentangled from the electronic motion.

  20. Generation IV nuclear energy system initiative. Pin core subassembly designfor the Gas-Cooled Fast Reactor.

    SciTech Connect

    Farmer, M. T.; Hoffman, E. A.; Pfeiffer, P. F.; Therios, I. U.

    2006-07-31

    The Gas-Cooled Fast Reactor (GFR) is one of six systems selected for viability assessment in the Generation IV program. It features a closed nuclear fuel cycle, consisting of a high-temperature helium-cooled fast spectrum reactor, coupled to a direct-cycle helium turbine for electricity production. The GFR combines the advances of fast spectrum systems with those of high-temperature systems. It was clear from the very beginning that GFR design should be driven by the objective to offer a complementary approach to liquid metal cooling. On this basis, CEA and the US DOE decided to collaborate on the pre-conceptual design of a GFR. This reactor design will provide a high level of safety and full recycling of the actinides, and will also be highly proliferation resistant and economically attractive. The status of this collaborative project is that two unit sizes, 600 MWt and 2400 MWt were selected as the focus of the design and safety studies. Researchers studied fuel forms, fuel assembly/element designs, core configurations, primary and balance-of-plant layouts, and safety approaches for both of these unit sizes. Results regarding the feasibility of this GFR design are encouraging. For example, sustainability and non-proliferation goals can be met and the proposed concept has attractive safety features. These features take advantage of the helium in terms of its neutronic quasi-transparency as well as the enhanced Doppler effect in connection with candidate fuel and structural materials. The current design trend is to consider high unit power for the GFR (2400 MWt), an attractive level for the power density (100 MW/m{sup 3}), and the implementation of an innovative plate type fuel or pin type sub-assembly with carbide-based actinide compounds and SiC-based structural materials. Work is still needed to refine the safety approach, to select the main system options, and to more definitively establish economic parameters.

  1. Strategies for optimizing the phase correction algorithms in Nuclear Magnetic Resonance spectroscopy

    PubMed Central

    2015-01-01

    Nuclear Magnetic Resonance (NMR) spectroscopy is a popular medical diagnostic technique. NMR is also the favourite tool of chemists/biochemists to elucidate the molecular structure of small or big molecules; it is also a widely used tool in material science, in food science etc. In the case of medical diagnosis it allows for determining a metabolic composition of analysed tissue which may support the identification of tumour cells. Precession signal, that is a crucial part of MR phenomenon, contains distortions that must be filtered out before signal analysis. One of such distortions is phase error. Five popular algorithms: Automics, Shanon's entropy minimization, Ernst's method, Dispa and eDispa are presented and discussed. A novel adaptive tuning algorithm for Automics method was developed and numerically optimal solutions to automatic tuning of the other four algorithms were proposed. To validate the performance of the proposed techniques, two experiments were performed - the first one was done with the use of in silico generated data. For all presented methods, the fine tuning strategies significantly increased the correction accuracy. The highest improvement was observed for Automics algorithm, independently of noise level, with relative phase error dropping by average from 10.25% to 2.40% for low noise level and from 12.45% to 2.66% for high noise level. The second validation experiment, done with the use of phantom data, confirmed the in silico results. The obtained accuracy of the estimation of metabolite concentration was at 99.5%. Conclusions The proposed strategies for optimizing the phase correction algorithms significantly improve the accuracy of Nuclear Magnetic Resonance spectroscopy signal analysis. PMID:26329486

  2. Dynamics of asymmetric binary glass formers. I. A dielectric and nuclear magnetic resonance spectroscopy study

    NASA Astrophysics Data System (ADS)

    Kahlau, R.; Bock, D.; Schmidtke, B.; Rössler, E. A.

    2014-01-01

    Dielectric spectroscopy as well as 2H and 31P nuclear magnetic resonance spectroscopy (NMR) are applied to probe the component dynamics of the binary glass former tripropyl phosphate (TPP)/polystyrene (PS/PS-d3) in the full concentration (cTPP) range. In addition, depolarized light scattering and differential scanning calorimetry experiments are performed. Two glass transition temperatures are found: Tg1(cTPP) reflects PS dynamics and shows a monotonic plasticizer effect, while the lower Tg2(cTPP) exhibits a maximum and is attributed to (faster) TPP dynamics, occurring in a slowly moving or immobilized PS matrix. Dielectric spectroscopy probing solely TPP identifies two different time scales, which are attributed to two sub-ensembles. One of them, again, shows fast TPP dynamics (α2-process), the other (α1-process) displays time constants identical with those of the slow PS matrix. Upon heating the α1-fraction of TPP decreases until above some temperature Tc only a single α2-population exists. Inversely, below Tc a fraction of the TPP molecules is trapped by the PS matrix. At low cTPP the α2-relaxation does not follow frequency-temperature superposition (FTS), instead it is governed by a temperature independent distribution of activation energies leading to correlation times which follow Arrhenius laws, i.e., the α2-relaxation resembles a secondary process. Yet, 31P NMR demonstrates that it involves isotropic reorientations of TPP molecules within a slowly moving or rigid matrix of PS. At high cTPP the super-Arrhenius temperature dependence of τ2(T), as well as FTS are recovered, known as typical of the glass transition in neat systems.

  3. Dynamics of asymmetric binary glass formers. I. A dielectric and nuclear magnetic resonance spectroscopy study

    SciTech Connect

    Kahlau, R.; Bock, D.; Schmidtke, B.; Rössler, E. A.

    2014-01-28

    Dielectric spectroscopy as well as {sup 2}H and {sup 31}P nuclear magnetic resonance spectroscopy (NMR) are applied to probe the component dynamics of the binary glass former tripropyl phosphate (TPP)/polystyrene (PS/PS-d{sub 3}) in the full concentration (c{sub TPP}) range. In addition, depolarized light scattering and differential scanning calorimetry experiments are performed. Two glass transition temperatures are found: T{sub g1}(c{sub TPP}) reflects PS dynamics and shows a monotonic plasticizer effect, while the lower T{sub g2}(c{sub TPP}) exhibits a maximum and is attributed to (faster) TPP dynamics, occurring in a slowly moving or immobilized PS matrix. Dielectric spectroscopy probing solely TPP identifies two different time scales, which are attributed to two sub-ensembles. One of them, again, shows fast TPP dynamics (α{sub 2}-process), the other (α{sub 1}-process) displays time constants identical with those of the slow PS matrix. Upon heating the α{sub 1}-fraction of TPP decreases until above some temperature T{sub c} only a single α{sub 2}-population exists. Inversely, below T{sub c} a fraction of the TPP molecules is trapped by the PS matrix. At low c{sub TPP} the α{sub 2}-relaxation does not follow frequency-temperature superposition (FTS), instead it is governed by a temperature independent distribution of activation energies leading to correlation times which follow Arrhenius laws, i.e., the α{sub 2}-relaxation resembles a secondary process. Yet, {sup 31}P NMR demonstrates that it involves isotropic reorientations of TPP molecules within a slowly moving or rigid matrix of PS. At high c{sub TPP} the super-Arrhenius temperature dependence of τ{sub 2}(T), as well as FTS are recovered, known as typical of the glass transition in neat systems.

  4. Source attribution of water-soluble organic aerosol by nuclear magnetic resonance spectroscopy.

    PubMed

    Decesari, Stefano; Mircea, Mihaiela; Cavalli, Fabrizia; Fuzzi, Sandro; Moretti, Fabio; Tagliavini, Emilio; Facchini, Maria Cristina

    2007-04-01

    The functional group compositions of atmospheric aerosol water-soluble organic compoundswere obtained employing proton nuclear magnetic resonance (1H NMR) spectroscopy in a series of recent experiments in several areas of the world characterized by different aerosol sources and pollution levels. Here, we discuss the possibility of using 1H NMR functional group distributions to identifythe sources of aerosol in the different areas. Despite the limited variability of functional group compositions of atmospheric aerosol samples, characteristic 1H NMR fingerprints were derived for three major aerosol sources: biomass burning, secondary formation from anthropogenic and biogenic VOCs, and emission from the ocean. The functional group patterns obtained in areas characterized by one of the above dominant source processes were then compared to identify the dominant sources for samples coming from mixed sources. This analysis shows that H NMR spectroscopy can profitably be used as a valuable tool for aerosol source identification. In addition, compared to other existing methodologies, it is able to relate the source fingerprints to integral chemical properties of the organic mixtures, which determine their reactivity and their physicochemical properties and ultimately the fate of the organic particles in the atmosphere. PMID:17438803

  5. Dynamics of asymmetric binary glass formers. II. Results from nuclear magnetic resonance spectroscopy

    NASA Astrophysics Data System (ADS)

    Bock, D.; Kahlau, R.; Pötzschner, B.; Körber, T.; Wagner, E.; Rössler, E. A.

    2014-03-01

    Various 2H and 31P nuclear magnetic resonance (NMR) spectroscopy techniques are applied to probe the component dynamics of the binary glass former tripropyl phosphate (TPP)/polystyrene-d3 (PS) over the full concentration range. The results are quantitatively compared to those of a dielectric spectroscopy (DS) study on the same system previously published [R. Kahlau, D. Bock, B. Schmidtke, and E. A. Rössler, J. Chem. Phys. 140, 044509 (2014)]. While the PS dynamics does not significantly change in the mixtures compared to that of neat PS, two fractions of TPP molecules are identified, one joining the glass transition of PS in the mixture (α1-process), the second reorienting isotropically (α2-process) even in the rigid matrix of PS, although at low concentration resembling a secondary process regarding its manifestation in the DS spectra. Pronounced dynamical heterogeneities are found for the TPP α2-process, showing up in extremely stretched, quasi-logarithmic stimulated echo decays. While the time window of NMR is insufficient for recording the full correlation functions, DS results, covering a larger dynamical range, provide a satisfactory interpolation of the NMR data. Two-dimensional 31P NMR spectra prove exchange within the broadly distributed α2-process. As demonstrated by 2H NMR, the PS matrix reflects the faster α2-process of TPP by performing a spatially highly hindered motion on the same timescale.

  6. Corrosion at Nuclear Power Plant from Mössbauer Spectroscopy Point of View

    NASA Astrophysics Data System (ADS)

    Slugeň, V.; Lipka, J.; Dekan, J.; Tóth, I.; Smieško, I.

    2010-07-01

    Steam generators of four VVER-440 units at nuclear power plants V-1 and V-2 in Jaslovske Bohunice (Slovakia) were gradually changed by new original "Bohunice" design in the 1994-1998 period. Corrosion processes before and after these design and material changes in Bohunice secondary circuit were studied using Mössbauer spectroscopy during the last 25 years. Innovations in the feed water pipeline design as well as material composition improvements were evaluated positively. Mössbauer spectroscopy studies of phase composition of corrosion products were performed on real specimens scrapped from water pipelines or in the form of filters deposits. The corrosion of new feed water pipelines system (from austenitic steel) in combination to innovated operation regimes goes dominantly to magnetite. The hematite presence is mostly on the internal surface of steam generator body and its concentration increases towards the top of the body. In the results interpretation it is necessary to consider also erosion as well as scope and type of maintenance activities. The long-term study of phase composition of corrosion products at VVER reactors is one of precondition for the safe operation over the projected NPP lifetime. Keywords: Enter Keywords here. Text should remain 10-pt.

  7. A Novel Variable Field System for Field-Cycled Dynamic Nuclear Polarization Spectroscopy

    PubMed Central

    Shet, Keerthi; Caia, George L.; Kesselring, Eric; Samouilov, Alexandre; Petryakov, Sergey; Lurie, David J.; Zweier, Jay L.

    2014-01-01

    Dynamic nuclear polarization (DNP) is an NMR-based technique which enables detection and spectral characterization of endogenous and exogenous paramagnetic substances measured via transfer of polarization from the saturated unpaired electron spin system to the NMR active nuclei. A variable field system capable of performing DNP spectroscopy with NMR detection at any magnetic field in the range 0 - 0.38 T is described. The system is built around a clinical open-MRI system. To obtain EPR spectra via DNP, partial cancellation of the detection field B0NMR is required to alter the evolution field B0EPR at which the EPR excitation is achieved. The addition of resistive actively shielded field cancellation coils in the gap of the primary magnet provides this field offset in the range of 0–100 mT. A description of the primary magnet, cancellation coils, power supplies, interfacing hardware, RF electronics and console are included. Performance of the instrument has been evaluated by acquiring DNP spectra of phantoms with aqueous nitroxide solutions (TEMPOL) at three NMR detection fields of 97 G, 200 G and 587 G corresponding to 413 kHz, 851.6 kHz and 2.5 MHz respectively and fixed EPR evolution field of 100 G corresponding to an irradiation frequency of 282.3 MHz. This variable field DNP system offers great flexibility for the performance of DNP spectroscopy with independent optimum choice of EPR excitation and NMR detection fields. PMID:20570197

  8. Dynamics of asymmetric binary glass formers. II. Results from nuclear magnetic resonance spectroscopy

    SciTech Connect

    Bock, D.; Kahlau, R.; Pötzschner, B.; Körber, T.; Wagner, E.; Rössler, E. A.

    2014-03-07

    Various {sup 2}H and {sup 31}P nuclear magnetic resonance (NMR) spectroscopy techniques are applied to probe the component dynamics of the binary glass former tripropyl phosphate (TPP)/polystyrene-d{sub 3} (PS) over the full concentration range. The results are quantitatively compared to those of a dielectric spectroscopy (DS) study on the same system previously published [R. Kahlau, D. Bock, B. Schmidtke, and E. A. Rössler, J. Chem. Phys. 140, 044509 (2014)]. While the PS dynamics does not significantly change in the mixtures compared to that of neat PS, two fractions of TPP molecules are identified, one joining the glass transition of PS in the mixture (α{sub 1}-process), the second reorienting isotropically (α{sub 2}-process) even in the rigid matrix of PS, although at low concentration resembling a secondary process regarding its manifestation in the DS spectra. Pronounced dynamical heterogeneities are found for the TPP α{sub 2}-process, showing up in extremely stretched, quasi-logarithmic stimulated echo decays. While the time window of NMR is insufficient for recording the full correlation functions, DS results, covering a larger dynamical range, provide a satisfactory interpolation of the NMR data. Two-dimensional {sup 31}P NMR spectra prove exchange within the broadly distributed α{sub 2}-process. As demonstrated by {sup 2}H NMR, the PS matrix reflects the faster α{sub 2}-process of TPP by performing a spatially highly hindered motion on the same timescale.

  9. Profiling planktonic biomass using element-specific, multicomponent nuclear magnetic resonance spectroscopy.

    PubMed

    Komatsu, Takanori; Kobayashi, Toshiya; Hatanaka, Minoru; Kikuchi, Jun

    2015-06-01

    Planktonic metabolism plays crucial roles in Earth's elemental cycles. Chemical speciation as well as elemental stoichiometry is important for advancing our understanding of planktonic roles in biogeochemical cycles. In this study, a multicomponent solid-state nuclear magnetic resonance (NMR) approach is proposed for chemical speciation of cellular components, using several advanced NMR techniques. Measurements by ssNMR were performed on (13)C and (15)N-labeled Euglena gracilis, a flagellated protist. 3D dipolar-assisted rotational resonance, double-cross-polarization (1)H-(13)C correlation spectroscopy, and (1)H-(13)C solid-state heteronuclear single quantum correlation spectroscopy successively allowed characterization of cellular components. These techniques were then applied to E. gracilis cultured in high and low ammonium media to demonstrate the power of this method for profiling and comparing cellular components. Cellular NMR spectra indicated that ammonium induced both paramylon degradation and amination. Arginine was stored as a nitrogen reserve and ammonium replaced by arginine catabolism via the arginine dihydrolase pathway. (15)N and (31)P cellular ssNMR indicated arginine and polyphosphate accumulation in E. gracilis, respectively. This chemical speciation technique will contribute to environmental research by providing detailed information on environmental chemical properties. PMID:25973714

  10. Simulated Verification of Fuel Element Inventory in a Small Reactor Core Using the Nuclear Materials Identification System (NMIS)

    SciTech Connect

    Grogan, Brandon R; Mihalczo, John T

    2009-01-01

    The International Panel on Climate Change projects that by 2050 the world energy demand may double. Although the primary focus for new nuclear power plants in industrialized nations is on large plants in the 1000-1600 MWe range, there is an increasing demand for small and medium reactors (SMRs). About half of the innovative SMR concepts are for small (<300 MWe) reactors with a 5-30 year life without on-site refueling. This type of reactor is also known as a battery-type reactor. These reactors are particularly attractive to countries with small power grids and for non-electrical purposes such as heating, hydrogen production, and seawater desalination. Traditionally, this type of reactor has been used in a nautical propulsion role. This type of reactor is designed as a permanently sealed unit to prevent the diversion of the uranium in the core by the user. However, after initial fabrication it will be necessary to verify that the newly fabricated reactor core contains the quantity of uranium that initially entered the fuel fabrication plant. In most instances, traditional inspection techniques can be used to perform this verification, but in certain situations the core design will be considered sensitive. Non-intrusive verification techniques must be utilized in these situations. The Nuclear Materials Identification System (NMIS) with imaging uses active interrogation and a fast time correlation processor to characterize fissile material. The MCNP-PoliMi computer code was used to simulate NMIS measurements of a small, sealed reactor core. Because most battery-type reactor designs are still in the early design phase, a more traditional design based on a Russian icebreaker core was used in the simulations. These simulations show how the radiography capabilities of the NMIS could be used to detect the diversion of fissile material by detecting void areas in the assembled core where fuel elements have been removed.

  11. Thermal Hydraulics Design and Analysis Methodology for a Solid-Core Nuclear Thermal Rocket Engine Thrust Chamber

    NASA Technical Reports Server (NTRS)

    Wang, Ten-See; Canabal, Francisco; Chen, Yen-Sen; Cheng, Gary; Ito, Yasushi

    2013-01-01

    Nuclear thermal propulsion is a leading candidate for in-space propulsion for human Mars missions. This chapter describes a thermal hydraulics design and analysis methodology developed at the NASA Marshall Space Flight Center, in support of the nuclear thermal propulsion development effort. The objective of this campaign is to bridge the design methods in the Rover/NERVA era, with a modern computational fluid dynamics and heat transfer methodology, to predict thermal, fluid, and hydrogen environments of a hypothetical solid-core, nuclear thermal engine the Small Engine, designed in the 1960s. The computational methodology is based on an unstructured-grid, pressure-based, all speeds, chemically reacting, computational fluid dynamics and heat transfer platform, while formulations of flow and heat transfer through porous and solid media were implemented to describe those of hydrogen flow channels inside the solid24 core. Design analyses of a single flow element and the entire solid-core thrust chamber of the Small Engine were performed and the results are presented herein

  12. TNPO3 Is Required for HIV-1 Replication after Nuclear Import but prior to Integration and Binds the HIV-1 Core

    PubMed Central

    Valle-Casuso, Jose Carlos; Di Nunzio, Francesca; Yang, Yang; Reszka, Natalia; Lienlaf, Maritza; Arhel, Nathalie; Perez, Patricio; Brass, Abraham L.

    2012-01-01

    TNPO3 is a nuclear importer required for HIV-1 infection. Here, we show that depletion of TNPO3 leads to an HIV-1 block after nuclear import but prior to integration. To investigate the mechanistic requirement of TNPO3 in HIV-1 infection, we tested the binding of TNPO3 to the HIV-1 core and found that TNPO3 binds to the HIV-1 core. Overall, this work suggests that TNPO3 interacts with the incoming HIV-1 core in the cytoplasm to assist a process that is important for HIV-1 infection after nuclear import. PMID:22398280

  13. Core-level spectroscopy of the Ni/W(110) interface: Correlation of W interfacial core-level shifts with first-layer Ni phases

    SciTech Connect

    Riffe,D.; Franckowiak, R.; Shinn, N.; Kim, B.; Kim, K.; Kang, T.

    2008-01-01

    We have measured W 4f7/2 core-level photoemission spectra from W(1 1 0) in the presence of Ni overlayers, from {approx}0.2 to {approx}3 monolayers. Interfacial core-level shifts associated with first-layer Ni phases have been identified: -230 {+-} 15 meV for the 1 x 1 pseudomorphic phase and -70 {+-} 7 meV for the 7 x 1 close-packed commensurate phase. At higher Ni coverages the interfacial core-level shift is -100 {+-} 10 meV. These shifts are analyzed using the partial-shift model of Nilsson et al.; the analysis indicates that the difference in binding energies between the 1 x 1 and 7 x 1 phases has a large contribution from structural differences between the two phases.

  14. Investigation of enzymatic C-P bond formation using multiple quantum HCP nuclear magnetic resonance spectroscopy.

    PubMed

    Hu, Kaifeng; Werner, Williard J; Allen, Kylie D; Wang, Susan C

    2015-04-01

    The biochemical mechanism for the formation of the C-P-C bond sequence found in l-phosphinothricin, a natural product with antibiotic and herbicidal activity, remains unclear. To obtain further insight into the catalytic mechanism of PhpK, the P-methyltransferase responsible for the formation of the second C-P bond in l-phosphinothricin, we utilized a combination of stable isotopes and two-dimensional nuclear magnetic resonance spectroscopy. Exploiting the newly emerged Bruker QCI probe (Bruker Corp.), we specifically designed and ran a (13) C-(31) P multiple quantum (1) H-(13) C-(31) P (HCP) experiment in (1) H-(31) P two-dimensional mode directly on a PhpK-catalyzed reaction mixture using (13) CH3 -labeled methylcobalamin as the methyl group donor. This method is particularly advantageous because minimal sample purification is needed to maximize product visualization. The observed 3:1:1:3 multiplet specifically and unequivocally illustrates direct bond formation between (13) CH3 and (31) P. Related nuclear magnetic resonance experiments based upon these principles may be designed for the study of enzymatic and/or synthetic chemical reaction mechanisms. PMID:25594737

  15. Study of fluorine in silicate glass with 19F nuclear magnetic resonance spectroscopy

    NASA Astrophysics Data System (ADS)

    Duncan, T. M.; Douglass, D. C.; Csencsits, R.; Walker, K. L.

    1986-07-01

    We report an application of nuclear magnetic resonance (NMR) spectroscopy to the study of fluorine-doped silicate glass prepared by the modified chemical vapor deposition process, prior to drawing the rod into fibers. The silica contains 1.03-wt. % fluorine, as determined by the calibrated intensity of the 19F NMR spectrum. The isotropic chemical shift of the 19F spectrum shows that fluorine bonds only to silicon; there is no evidence of oxyfluorides. Analysis of the distribution of nuclear dipolar couplings between fluorine nuclei reveals that the relative populations of silicon monofluoride sites [Si(O-)3F] and species having near-neighbor fluorines, such as silicon difluoride sites [Si(O-)2F2], are nearly statistically random. That is, to a good approximation, the fluorine substitutes randomly into the oxygen sites of the silica network. There is no evidence of local clusters of fluorine sites, silicon trifluoride sites [Si(O-)F3], or silicon tetrafluoride (SiF4).

  16. Characterization of borate glasses by W-band pulse electron-nuclear double resonance spectroscopy

    SciTech Connect

    Kordas, George; Goldfarb, Daniella

    2008-10-21

    (100-x) mol % B{sub 2}O{sub 3} x mol %Me{sub 2}O (Me=Li,Na,K) glasses, exposed to {gamma}-{sup 60}Co irradiation to produce paramagnetic states, were characterized by W-band (95 GHz) pulse electron-nuclear double resonance (ENDOR) spectroscopy in order to characterize local structures occurring in the range of compositions between x=16 and x=25 at which the 'boron oxide' anomaly occurs. The high resolution of nuclear frequencies allowed resolving the {sup 7}Li and {sup 11}B ENDOR lines. In the samples with x=16 and x=20 glasses, {sup 11}B hyperfine couplings of 16, 24, and 36 MHz were observed and attributed to the tetraborate, triborate, and boron oxygen hole center (BOHC) structures, respectively. The x=25 samples showed hyperfine couplings of 15 MHz for the tetraborate and 36 MHz for BOHC. Density functional theory (DFT) calculations predicted for these structures negative hyperfine couplings, which were confirmed by W-band ENDOR. This suggests that a spin polarization mechanism accounts for the negative hyperfine structure splitting.

  17. Characterization of borate glasses by W-band pulse electron-nuclear double resonance spectroscopy.

    PubMed

    Kordas, George; Goldfarb, Daniella

    2008-10-21

    (100-x) mol % B(2)O(3) x mol % Me(2)O (Me = Li,Na,K) glasses, exposed to gamma-(60)Co irradiation to produce paramagnetic states, were characterized by W-band (95 GHz) pulse electron-nuclear double resonance (ENDOR) spectroscopy in order to characterize local structures occurring in the range of compositions between x=16 and x=25 at which the "boron oxide" anomaly occurs. The high resolution of nuclear frequencies allowed resolving the (7)Li and (11)B ENDOR lines. In the samples with x=16 and x=20 glasses, (11)B hyperfine couplings of 16, 24, and 36 MHz were observed and attributed to the tetraborate, triborate, and boron oxygen hole center (BOHC) structures, respectively. The x=25 samples showed hyperfine couplings of 15 MHz for the tetraborate and 36 MHz for BOHC. Density functional theory (DFT) calculations predicted for these structures negative hyperfine couplings, which were confirmed by W-band ENDOR. This suggests that a spin polarization mechanism accounts for the negative hyperfine structure splitting. PMID:19045204

  18. Investigation of enzymatic C–P bond formation using multiple quantum HCP nuclear magnetic resonance spectroscopy

    PubMed Central

    Hu, Kaifeng; Werner, Williard J.; Allen, Kylie D.; Wang, Susan C.

    2015-01-01

    The biochemical mechanism for the formation of the C–P–C bond sequence found in L-phosphinothricin, a natural product with antibiotic and herbicidal activity, remains unclear. To obtain further insight into the catalytic mechanism of PhpK, the P-methyltransferase responsible for the formation of the second C–P bond in L-phosphinothricin, we utilized a combination of stable isotopes and two-dimensional nuclear magnetic resonance spectroscopy. Exploiting the newly emerged Bruker QCI probe (Bruker Corp.), we specifically designed and ran a 13C-31P multiple quantum 1H-13C-31P (HCP) experiment in 1H-31P two-dimensional mode directly on a PhpK-catalyzed reaction mixture using 13CH3-labeled methylcobalamin as the methyl group donor. This method is particularly advantageous because minimal sample purification is needed to maximize product visualization. The observed 3:1:1:3 multiplet specifically and unequivocally illustrates direct bond formation between 13CH3 and 31P. Related nuclear magnetic resonance experiments based upon these principles may be designed for the study of enzymatic and/or synthetic chemical reaction mechanisms. PMID:25594737

  19. 3D spectroscopy of merger Seyfert galaxy Mrk 334: nuclear starburst, superwind and the circumnuclear cavern

    NASA Astrophysics Data System (ADS)

    Smirnova, Aleksandrina; Moiseev, Alexei

    2010-01-01

    We are presenting new results on kinematics and structure of the Mrk 334 Seyfert galaxy. Panoramic (3D) spectroscopy is performed at the 6-m telescope of the Special Astrophysical Observatory of the Russian Academy of Sciences using the integral-field Multi-Pupil Fiber Spectrograph (MPFS) and scanning Fabry-Pérot interferometer. The deep images have revealed that Mrk 334 is observed during the final stage of its merging with a massive companion. A possible mass ratio ranges from 1/5 to 1/3. The merger has triggered mass redistribution in the disc resulting in an intensification of nuclear activity and in a burst of star formation in the inner region of the galaxy. The circumnuclear starburst is so intense that its contribution to the gas ionization exceeds that contribution of the active galactic nuclei (AGN). We interpret the nuclear gas outflow with velocities of ~200kms-1 as a galactic superwind that accompanies the violent star formation. This suggestion is consistent with the asymmetric X-ray brightness distribution in Mrk 334. The trajectory of the fragments of the disrupted satellite in the vicinity of the main galaxy nucleus can be traced. In the galaxy disc, a cavern is found that is filled with a low-density ionized gas. We consider this region to be the place where the remnants of the companion have recently penetrated through the gaseous disc of the main galaxy.

  20. The Chemistry os Spent Nuclear Fuel From X-Ray Absorption Spectroscopy

    SciTech Connect

    F.A. Fortner; A.J. Kropf; J.C. Cunnane

    2006-09-21

    Present and future nuclear fuel cycles will require an understanding of the complex chemistry of trace fission products and transuranium actinides in spent nuclear fuel (SNF). Because of the unique analytical challenges presented by SNF to the materials scientist, many of its fundamental physical and chemical properties remain poorly understood, especially on the microscopic scale. Such an understanding of the chemical states of radionuclides in SNF would benefit development of technologies for fuel monitoring, fuel performance improvement and modeling, fuel reprocessing, and spent fuel storage and disposal. We have recently demonstrated the use of synchrotron x-ray absorption spectroscopy (XAS) to examine crystal chemical properties of actinides and fission products in extracted specimens of SNF. Information obtained includes oxidation state, chemical bond coordination, and quantitative elemental concentration and distribution. We have also used XAS in a scanning mode to obtain x-ray spectral micrographs with resolution approaching 1 micron. A brief overview of the technique will be presented, along with findings on uranium, plutonium, neptunium, technetium, and molybdenum in commercial PWR SNF specimens.

  1. Germination of Saccharomyces cerevisiae ascospores without trehalose mobilization as revealed by in vivo 13C nuclear magnetic resonance spectroscopy.

    PubMed Central

    Donnini, C; Puglisi, P P; Vecli, A; Marmiroli, N

    1988-01-01

    Saccharomyces cerevisiae ascospores germinate in the presence of acetate without any detectable trehalose degradation, as revealed by high-resolution nuclear magnetic resonance spectroscopy and by a standard colorimetric assay. The results presented here substantiate the hypothesis that in S. cerevisiae trehalose supplies energy during dormancy of the spores and not during the germination process. PMID:3042762

  2. Delayed Gamma-Ray Spectroscopy for Non-Destructive Assay of Nuclear Materials

    SciTech Connect

    Ludewigt, Bernhard; Mozin, Vladimir; Campbell, Luke; Favalli, Andrea; Alan W. Hunt; Reedy, Edward T.E.; Seipel, Heather

    2015-06-01

    High-­energy, beta-delayed gamma-­ray spectroscopy is a potential, non-­destructive assay techniques for the independent verification of declared quantities of special nuclear materials at key stages of the fuel cycle and for directly assaying nuclear material inventories for spent fuel handling, interim storage, reprocessing facilities, repository sites, and final disposal. Other potential applications include determination of MOX fuel composition, characterization of nuclear waste packages, and challenges in homeland security and arms control verification. Experimental measurements were performed to evaluate fission fragment yields, to test methods for determining isotopic fractions, and to benchmark the modeling code package. Experimental measurement campaigns were carried out at the IAC using a photo-­neutron source and at OSU using a thermal neutron beam from the TRIGA reactor to characterize the emission of high-­energy delayed gamma rays from 235U, 239Pu, and 241Pu targets following neutron induced fission. Data were collected for pure and combined targets for several irradiation/spectroscopy cycle times ranging from 10/10 seconds to 15/30 minutes.The delayed gamma-ray signature of 241Pu, a significant fissile constituent in spent fuel, was measured and compared to 239Pu. The 241Pu/239Pu ratios varied between 0.5 and 1.2 for ten prominent lines in the 2700-­3600 keV energy range. Such significant differences in relative peak intensities make it possible to determine relative fractions of these isotopes in a mixed sample. A method for determining fission product yields by fitting the energy and time dependence of the delayed gamma-­ray emission was developed and demonstrated on a limited 235U data set. De-­convolution methods for determining fissile fractions were developed and tested on the experimental data. The use of high count-­rate LaBr3 detectors

  3. Optical and Nuclear Spin Spectroscopy in PRASEODYMIUM(3+):LANTHANUM Fluoride by Optical Pumping

    NASA Astrophysics Data System (ADS)

    Wald, Lawrence Leroy

    A Stark Modulated Optical Pumping (SMOP) technique was used as a sensitive probe of optical hole-burning to study the effects of nuclear spin interactions in Pr ^{3+}:LaF_3. The results of two experiments are reported. In the first experiment, the SMOP technique is applied for optical detection of the NQR spectrum of the Pr^{3+} optical ground state. Frequency and linewidth variations of the Pr ^{3+} ground state hyperfine levels for different positions within the main ^3 H_4(Gamma1) -^1D_2(Gamma 1) inhomogeneous optical line and satellite transitions of Pr^{3+}:LaF _3 are observed. A linear increase in the broadening of the Pr^{3+} hyperfine transitions, without a shift of central frequency, is measured as the laser is tuned toward the wings of the inhomogeneous optical transition. The linear variation is attributed to electric quadrupole broadening caused by changes in local density of point defects across the Stark broadened optical transition. The optically detected NQR spectra of the satellite transitions associated with Pr ion pairs are shifted in frequency, and for most satellites are narrower in width than the NQR spectra found in the wings of the main inhomogeneous optical line. In the second experiment, direct evidence for the presence of a spin diffusion barrier or "frozen core" in Pr^{3+}:LaF _3 is observed by examining the cross relaxation between the Pr and F nuclei in a magnetic field chosen so that a pair of the optical ground state Pr^ {3+} hyperfine energy levels matches the F splitting or a multiple of the F splitting. This level crossing condition allows resonant flip-flop interactions with the nearest neighbor frozen core fluorine spins to re-populate Pr^{3+} hyperfine levels emptied by laser hole-burning, and is detected as enhanced absorption of the laser beam. The coupling of core fluorine spins to bulk fluorine spins during Pr-F cross-relaxation is measured by NMR of the bulk fluorine spin magnetization. The rate of cross relaxation between

  4. OSIRIS-Gamma-ray spectroscopy software for on-site inspections under the Comprehensive Nuclear-Test-Ban Treaty

    NASA Astrophysics Data System (ADS)

    Caffrey, A. J.; Bowyer, T. W.; Egger, A. E.; Hall, J. C.; Kelly, S. M.; Krebs, K. M.; Kreek, S. A.; Jordan, D. V.; Milbrath, B. D.; Padgett, S. W.; Wharton, C. J.; Wimer, N. G.

    2015-06-01

    We have designed and tested software for the acquisition and analysis of high-resolution gamma-ray spectra during on-site inspections under the Comprehensive Nuclear-Test-Ban Treaty (CTBT). The On-Site Inspection RadioIsotopic Spectroscopy-OSIRIS-software filters the spectral data to display only radioisotopic information relevant to CTBT on-site inspections, e.g.,131I. A set of over 100 fission-product spectra was employed for OSIRIS testing. These spectra were measured where possible, or generated by modeling. The test spectral compositions include non-nuclear-explosion scenarios, e.g., a severe nuclear reactor accident, and nuclear-explosion scenarios such as a vented underground nuclear test. Comparing its computer-based analyses to expert visual analyses of the test spectra, OSIRIS correctly identifies CTBT-relevant fission product isotopes at the 95% level or better.

  5. High-resolution core-level spectroscopy of Si(100)c(4 × 2) and some metal-induced Si(111)√3 × √3 surfaces

    NASA Astrophysics Data System (ADS)

    Uhrberg, R. I. G.

    2001-12-01

    High-resolution core-level spectroscopy has been applied to the Si(100)c(4 × 2) surface. A correct decomposition of the Si 2p spectrum of the clean surface is important for studies of adsorption of different species and the formation of various surface reconstructions. A very well-resolved Si 2p spectrum is presented for the Si(100)c(4 × 2) surface. The decomposition of this spectrum verifies the original decomposition scheme introduced by Landemark et al (Landemark E, Karlsson C J, Chao Y-C and Uhrberg R I G 1992 Phys. Rev. Lett. 69 1588). Core-level spectra of some metal-induced Si(111)√3 × √3 surfaces are also presented. A comparison is made between the √3 × √3 reconstructions formed on Si(111) by In, a group III atom, and by Sn, a group IV atom. Both the 4d core levels of the adatoms and the Si 2p core-level spectra are discussed. Different kinds of deviation from an ideal surface may introduce a significant broadening of the core-level spectra. The effect of additional Ag atoms is discussed in the case of the Ag/Si(111)√3 × √3 surface. By reducing the surplus of Ag atoms on this surface, a Si 2p spectrum with extremely narrow components has been obtained.

  6. [Characterization of biochar by X-ray photoelectron spectroscopy and 13C nuclear magnetic resonance].

    PubMed

    Xu, Dong-yu; Jin, Jie; Yan, Yu; Han, Lan-fang; Kang, Ming-jie; Wang, Zi-ying; Zhao, Ye; Sun, Ke

    2014-12-01

    The wood (willow branch) and grass (rice straw) materials were pyrolyzed at different temperatures (300, 450 and 600 °C) to obtain the biochars used in the present study. The biochars were characterized using elementary analysis, X-ray photoelectron spectroscopy (XPS) and solid state 13C cross-polarization and magic angle spinning nuclear magnetic resonance spectroscopy (13C NMR) to illuminate the structure and composition of the biochars which were derived from the different thermal temperatures and biomass. The results showed that the H/C, O/C and (O+N)/C ratios of the biochars decreased with the increase in the pyrolysis temperatures. The surface polarity and ash content of the grass-derived biochars were higher than those of the wood-derived biochars. The minerals of the wood-derived biochars were mainly covered by the organic matter; in contrast, parts of the mineral surfaces of the grass-derived biochars were not covered by organic matter? The 13C NMR of the low temperature-derived biochars revealed a large contribution of aromatic carbon, aliphatic carbon, carboxyl and carbonyl carbon, while the high temperature-derived biochars contained a large amount of aromatic carbon. Moreover, the wood-derived biochars produced at low heat treatment temperatures contained more lignin residues than grass-derived ones, probably due to the existence of high lignin content in the feedstock soures of wood-derived biochars. The results of the study would be useful for environmental application of biochars. PMID:25881450

  7. Multisectional linear ion trap and novel loading method for optical spectroscopy of electron and nuclear transitions.

    PubMed

    Sysoev, Alexey A; Troyan, Victor I; Borisyuk, Peter V; Krasavin, Andrey V; Vasiliev, Oleg S; Palchikov, Vitaly G; Avdeev, Ivan A; Chernyshev, Denis M; Poteshin, Sergey S

    2015-01-01

    There is a growing need for the development of atomic and nuclear frequency standards because of the important contribution of methods for precision time and frequency measurements to the development of fundamental science, technology, and the economy. It is also conditioned by their potential use in optical clocks and quantum logic applications. It is especially important to develop a universal method that could allow one to use ions of most elements effectively (including ones that are not easily evaporated) proposed for the above-mentioned applications. A linear quadrupole ion trap for the optical spectroscopy of electron and nuclear transitions has been developed and evaluated experimentally. An ion source construction is based on an ultra-high vacuum evaporator in which a metal sample is subjected to an electron beam of energy up to 1 keV, resulting in the appearance of gaseous atoms and ions of various charge state. The linear ion trap consists of five successive quadrupole sections including an entrance quadrupole section, quadrupole mass filter, quadrupole ion guide, ion-trap section, and exit quadrupole section. The same radiofrequency but a different direct current voltage feeds the quadrupole sections. The instrument allows the mass and energy selected trapping of ions from ion beams of various intensities and their localization in the area of laser irradiation. The preliminary results presented show that the proposed instrument and methods allow one to produce effectively up to triply charged thorium ions as well as to trap ions for future spectroscopic study. The instrument is proposed for future use in optical clocks and quantum logic application development. PMID:25906029

  8. Few-second-long correlation times in a quantum dot nuclear spin bath probed by frequency-comb nuclear magnetic resonance spectroscopy

    NASA Astrophysics Data System (ADS)

    Waeber, A. M.; Hopkinson, M.; Farrer, I.; Ritchie, D. A.; Nilsson, J.; Stevenson, R. M.; Bennett, A. J.; Shields, A. J.; Burkard, G.; Tartakovskii, A. I.; Skolnick, M. S.; Chekhovich, E. A.

    2016-07-01

    One of the key challenges in spectroscopy is the inhomogeneous broadening that masks the homogeneous spectral lineshape and the underlying coherent dynamics. Techniques such as four-wave mixing and spectral hole-burning are used in optical spectroscopy, and spin-echo in nuclear magnetic resonance (NMR). However, the high-power pulses used in spin-echo and other sequences often create spurious dynamics obscuring the subtle spin correlations important for quantum technologies. Here we develop NMR techniques to probe the correlation times of the fluctuations in a nuclear spin bath of individual quantum dots, using frequency-comb excitation, allowing for the homogeneous NMR lineshapes to be measured without high-power pulses. We find nuclear spin correlation times exceeding one second in self-assembled InGaAs quantum dots--four orders of magnitude longer than in strain-free III-V semiconductors. This observed freezing of the nuclear spin fluctuations suggests ways of designing quantum dot spin qubits with a well-understood, highly stable nuclear spin bath.

  9. Double-core excitations in formamide can be probed by X-ray double-quantum-coherence spectroscopy

    NASA Astrophysics Data System (ADS)

    Zhang, Yu; Healion, Daniel; Biggs, Jason D.; Mukamel, Shaul

    2013-04-01

    The attosecond, time-resolved X-ray double-quantum-coherence four-wave mixing signals of formamide at the nitrogen and oxygen K-edges are simulated using restricted excitation window time-dependent density functional theory and the excited core hole approximation. These signals, induced by core exciton coupling, are particularly sensitive to the level of treatment of electron correlation, thus providing direct experimental signatures of electron and core-hole many-body effects and a test of electronic structure theories.

  10. Energy calibration issues in nuclear resonant vibrational spectroscopy: observing small spectral shifts and making fast calibrations.

    PubMed

    Wang, Hongxin; Yoda, Yoshitaka; Dong, Weibing; Huang, Songping D

    2013-09-01

    The conventional energy calibration for nuclear resonant vibrational spectroscopy (NRVS) is usually long. Meanwhile, taking NRVS samples out of the cryostat increases the chance of sample damage, which makes it impossible to carry out an energy calibration during one NRVS measurement. In this study, by manipulating the 14.4 keV beam through the main measurement chamber without moving out the NRVS sample, two alternative calibration procedures have been proposed and established: (i) an in situ calibration procedure, which measures the main NRVS sample at stage A and the calibration sample at stage B simultaneously, and calibrates the energies for observing extremely small spectral shifts; for example, the 0.3 meV energy shift between the 100%-(57)Fe-enriched [Fe4S4Cl4](=) and 10%-(57)Fe and 90%-(54)Fe labeled [Fe4S4Cl4](=) has been well resolved; (ii) a quick-switching energy calibration procedure, which reduces each calibration time from 3-4 h to about 30 min. Although the quick-switching calibration is not in situ, it is suitable for normal NRVS measurements. PMID:23955030

  11. Absolute quantitative analysis for sorbic acid in processed foods using proton nuclear magnetic resonance spectroscopy.

    PubMed

    Ohtsuki, Takashi; Sato, Kyoko; Sugimoto, Naoki; Akiyama, Hiroshi; Kawamura, Yoko

    2012-07-13

    An analytical method using solvent extraction and quantitative proton nuclear magnetic resonance (qHNMR) spectroscopy was applied and validated for the absolute quantification of sorbic acid (SA) in processed foods. The proposed method showed good linearity. The recoveries for samples spiked at the maximum usage level specified for food in Japan and at 0.13 g kg(-1) (beverage: 0.013 g kg(-1)) were larger than 80%, whereas those for samples spiked at 0.063 g kg(-1) (beverage: 0.0063 g kg(-1)) were between 56.9 and 83.5%. The limit of quantification was 0.063 g kg(-1) for foods (and 0.0063 g kg(-1) for beverages containing Lactobacillus species). Analysis of the SA content of commercial processed foods revealed quantities equal to or greater than those measured using conventional steam-distillation extraction and high-performance liquid chromatography quantification. The proposed method was rapid, simple, accurate, and precise, and provided International System of Units traceability without the need for authentic analyte standards. It could therefore be used as an alternative to the quantification of SA in processed foods using conventional method. PMID:22704472

  12. Absolute quantification for benzoic acid in processed foods using quantitative proton nuclear magnetic resonance spectroscopy.

    PubMed

    Ohtsuki, Takashi; Sato, Kyoko; Sugimoto, Naoki; Akiyama, Hiroshi; Kawamura, Yoko

    2012-09-15

    The absolute quantification method of benzoic acid (BA) in processed foods using solvent extraction and quantitative proton nuclear magnetic resonance spectroscopy was developed and validated. BA levels were determined using proton signals (δ(H) 7.53 and 7.98) referenced to 2-dimethyl-2-silapentane-5-sulfonate-d(6) sodium salt (DSS-d(6)) after simple solvent extraction from processed foods. All recoveries from several kinds of processed foods, spiked at their specified maximum Japanese usage levels (0.6-2.5 g kg(-1)) and at 0.13 g kg(-1) and 0.063 g kg(-1), were greater than 80%. The limit of quantification was confirmed as 0.063 g kg(-1) in processed foods, which was sufficiently low for the purposes of monitoring BA. The accuracy of the proposed method is equivalent to the conventional method using steam-distillation extraction and high-performance liquid chromatography. The proposed method was both rapid and simple. Moreover, it provided International System of Units traceability without the need for authentic analyte standards. Therefore, the proposed method is a useful and practical tool for determining BA levels in processed foods. PMID:22967562

  13. Vibrational Assignments of Six-Coordinate Ferrous Heme Nitrosyls: New Insight From Nuclear Resonance Vibrational Spectroscopy

    SciTech Connect

    Paulat, F.; Berto, T.C.; George, S.DeBeer; Goodrich, L.; Praneeth, V.K.K.; Sulok, C.D.; Lehnert, N.

    2009-05-21

    This Communication addresses a long-standing problem: the exact vibrational assignments of the low-energy modes of the Fe-N-O subunit in six-coordinate ferrous heme nitrosyl model complexes. This problem is addressed using nuclear resonance vibrational spectroscopy (NRVS) coupled to {sup 15}N{sup 18}O isotope labeling and detailed simulations of the obtained data. Two isotope-sensitive features are identified at 437 and 563 cm{sup -1}. Normal coordinate analysis shows that the 437 cm{sup -1} mode corresponds to the Fe-NO stretch, whereas the 563 cm{sup -1} band is identified with the Fe-N-O bend. The relative NRVS intensities of these features determine the degree of vibrational mixing between the stretch and the bend. The implications of these results are discussed with respect to the trans effect of imidazole on the bound NO. In addition, a comparison to myoglobin-NO (Mb-NO) is made to determine the effect of the Mb active site pocket on the bound NO.

  14. Phosphorus-31 nuclear magnetic resonance spectroscopy transect study of poultry operations on the Delmarva Peninsula.

    PubMed

    Hill, Jane E; Cade-Menun, Barbara J

    2009-01-01

    Nonpoint source phosphorus (P) pollution into the Chesapeake Bay watershed from poultry operations contributes to the algal blooms, hypoxia, anoxia, and fish kill events that occur there most years. A major source of soluble, bioavailable P species is poultry litter, which is used as a crop fertilizer on fields adjacent to the tributaries of the Bay. A potentially significant source of orthophosphate in the litter is the heavily phosphorylated compound myo-inositol hexakisphosphate (phytate), which is indigestible by poultry and thus becomes a major component of their excreta. Phytate evaluation in environmental samples is expensive; hence, its impact is not captured in standard farmer-friendly eutrophication potential guides, like Delaware's Phosphorus Site Index. In this transect study of two poultry operations on the Delmarva Peninsula, we measured the incidence of all P compounds using solution 31P nuclear magnetic resonance (NMR) spectroscopy and extracts, relating them to relevant geochemical properties. The contribution of phytate to the overall pool of P declined from around 50% in manures to between 2 and 13% in down-gradient soils and sediments, corresponding to a rise in the relative proportion of orthophosphate (increasing from 39% to 65-88%). The results show that the large pool of phytate P spread onto croplands during standard operating practice at poultry farms on the Delmarva Peninsula does not appear to accumulate; rather, phytate decreases in down-gradient locations, most likely due to transport off-site and/or through in situ biological activity. PMID:19141802

  15. Nuclear structure of 37, 38Si investigated by decay spectroscopy of 37, 38Al

    NASA Astrophysics Data System (ADS)

    Steiger, K.; Nishimura, S.; Li, Z.; Gernhäuser, R.; Utsuno, Y.; Chen, R.; Faestermann, T.; Hinke, C.; Krücken, R.; Kurata-Nishimura, M.; Lorusso, G.; Miyashita, Y.; Shimizu, N.; Sugimoto, K.; Sumikama, T.; Watanabe, H.; Yoshinaga, K.

    2015-09-01

    We present a study on the β decays of the neutron-rich isotopes 37Al and 38Al, produced by projectile fragmentation of a 48Ca beam with an energy E = 345 A MeV at the RIKEN Nishina Center. The half-lives of 37Al and 38Al have been measured to 11.5(4)ms and 9.0(7)ms, respectively, using the CAITEN implantation and decay detector setup. The level schemes for 37Si and 38Si were deduced by employing γ- γ coincidence spectroscopy following the event-by-event identification of the implanted nuclei. Comparison to large scale nuclear shell model calculations allowed for a tentative assignment of spin and parity of the populated states. The data indicate that the classical shell gap at magic neutron number N = 28 between the νf 7/2 and νp 3/2 orbits gets reduced by 0.3 MeV in this region leading to low-energy states with intruder configuration in 37Si.

  16. Characterization of urban aerosol using aerosol mass spectrometry and proton nuclear magnetic resonance spectroscopy

    NASA Astrophysics Data System (ADS)

    Cleveland, M. J.; Ziemba, L. D.; Griffin, R. J.; Dibb, J. E.; Anderson, C. H.; Lefer, B.; Rappenglück, B.

    2012-07-01

    Particulate matter was measured during August and September of 2006 in Houston as part of the Texas Air Quality Study II Radical and Aerosol Measurement Project. Aerosol size and composition were determined using an Aerodyne quadrupole aerosol mass spectrometer. Aerosol was dominated by sulfate (4.1 ± 2.6 μg m-3) and organic material (5.5 ± 4.0 μg m-3), with contributions of organic material from both primary (˜32%) and secondary (˜68%) sources. Secondary organic aerosol appears to be formed locally. In addition, 29 aerosol filter samples were analyzed using proton nuclear magnetic resonance (1H NMR) spectroscopy to determine relative concentrations of organic functional groups. Houston aerosols are less oxidized than those observed elsewhere, with smaller relative contributions of carbon-oxygen double bonds. These particles do not fit 1H NMR source apportionment fingerprints for identification of secondary, marine, and biomass burning organic aerosol, suggesting that a new fingerprint for highly urbanized and industrially influenced locations be established.

  17. A new microvascular model for noninvasive nuclear magnetic resonance spectroscopy of the transplanted kidney.

    PubMed

    Haug, C E; Shapiro, J I; Chan, L; Weil, R

    1988-03-01

    The cellular biology of graft rejection is not well understood. Phosphorus-31 nuclear magnetic resonance (31P NMR) spectroscopy is a new noninvasive technique for the measurement of intracellular pH and relative amounts of phosphorus-containing compounds, such as adenosine triphosphate (ATP), inorganic phosphate, phosphocreatine, and sugar phosphates, in any tissue from which a clear signal can be obtained. Biochemical analysis of such precision, without the need for tissue destruction, represents an unusual opportunity for analysis of in vivo cellular metabolism under varying conditions, including graft rejection. 31P NMR study of intra-abdominal viscera has not been feasible in most laboratories without laparotomy because of signal interference from abdominal wall muscle. In this study, to eliminate this interference, a rat kidney was transplanted to the groin, where it could be serially studied without overlying skeletal muscle. This new vascular technique was successful in 11 of 11 attempts and maintained normal serum creatinines in 10 chronic survivors after removal of both native kidneys. The 31P NMR spectroscopic signal from the groin kidney is clear and highly reproducible. This new microvascular model will make it possible to carry out noninvasive long-term spectroscopic studies that could potentially identify a reliable marker for allograft rejection. PMID:3278404

  18. Implementation and characterization of flow injection in dissolution dynamic nuclear polarization NMR spectroscopy.

    PubMed

    Chen, Hsueh-Ying; Hilty, Christian

    2015-08-24

    The use of dissolution dynamic nuclear polarization (D-DNP) offers substantially increased signals in liquid-state NMR spectroscopy. A challenge in realizing this potential lies in the transfer of the hyperpolarized sample to the NMR detector without loss of hyperpolarization. Here, the use of a flow injection method using high-pressure liquid leads to improved performance compared to the more common gas-driven injection, by suppressing residual fluid motions during the NMR experiment while still achieving a short injection time. Apparent diffusion coefficients are determined from pulsed field gradient echo measurements, and are shown to fall below 1.5 times the value of a static sample within 0.8 s. Due to the single-scan nature of D-DNP, pulsed field gradients are often the only choice for coherence selection or encoding, but their application requires stationary fluid. Sample delivery driven by a high-pressure liquid will improve the applicability of these types of D-DNP advanced experiments. PMID:26139513

  19. Effect of buoyancy on fuel containment in an open-cycle gas-core nuclear rocket engine.

    NASA Technical Reports Server (NTRS)

    Putre, H. A.

    1971-01-01

    Analysis aimed at determining the scaling laws for the buoyancy effect on fuel containment in an open-cycle gas-core nuclear rocket engine, so conducted that experimental conditions can be related to engine conditions. The fuel volume fraction in a short coaxial flow cavity is calculated with a programmed numerical solution of the steady Navier-Stokes equations for isothermal, variable density fluid mixing. A dimensionless parameter B, called the Buoyancy number, was found to correlate the fuel volume fraction for large accelerations and various density ratios. This parameter has the value B = 0 for zero acceleration, and B = 350 for typical engine conditions.

  20. Health physics activities in support of the thermal shield removal/disposal and core support barrel repair at the St. Lucie Nuclear Power Plant

    SciTech Connect

    Maisler, J.J.; Buchanan, H.F.

    1988-02-01

    The health physics activities related to the removal and disposal of a thermal shield at a nuclear power plant and subsequent repairs to the core support barrel required increased planning relative to a normal refueling/maintenance outage. The repair of the core support barrel was a first in the nuclear power industry. Pre-job planning was of great concern because of extremely high radiation levels associated with the irradiated stainless steel thermal shield and core support barrel. ALARA techniques used in the preparation of the thermal shield for removal and shipment to the disposal site are discussed.

  1. SAS2H input for computing core activities of 4.5, 5.0, and 5.5 weight % {sup 235}U fuel for Sequoyah Nuclear Plant

    SciTech Connect

    Hermann, O.W.

    1994-08-01

    Sequoyah Nuclear Plant core activities at initial fuel enrichments of 4.5, 5.0, and 5.5 wt% {sup 235}U, required in nuclear safety evaluations, were computed by the SAS2H analysis sequence and the ORIGEN-S code within the SCALE-4.2 code system.

  2. Simulating Valence-to-Core X-ray Emission Spectroscopy of Transition Metal Complexes with Time-Dependent Density Functional Theory

    SciTech Connect

    Zhang, Yu; Mukamel, Shaul; Khalil, Munira; Govind, Niranjan

    2015-11-09

    Valence-to-core (VtC) X-ray emission spectroscopy (XES) has emerged as a power- ful technique for the structural characterization of complex organometallic compounds in realistic environments. Since the spectrum represents electronic transitions from the ligand molecular orbitals to the core holes of the metal centers, the approach is more chemically sensitive to the metal-ligand bonding character compared with con- ventional X-ray absorption techniques. In this paper we study how linear-response time-dependent density functional theory (LR-TDDFT) can be harnessed to simulate K-edge VtC X-ray emission spectra reliably. LR-TDDFT allows one to go beyond the single-particle picture that has been extensively used to simulate VtC-XES. We con- sider seven low- and high-spin model complexes involving chromium, manganese and iron transition metal centers. Our results are in good agreement with experiment.

  3. Jahn-Teller coupling and fragmentation after core-shell excitation in CF{sub 4} investigated by partial-ion-yield spectroscopy

    SciTech Connect

    Guillemin, Renaud; Stolte, Wayne C.; Lindle, Dennis W.; Piancastelli, Maria Novella

    2010-10-15

    We investigate fragmentation processes induced by core-level photoexcitation in CF{sub 4} at both the carbon and fluorine K edges by means of partial-ion-yield spectroscopy. The molecule CF{sub 4} is a textbook example of systems in which Jahn-Teller coupling strongly manifests itself in the photoabsorption spectrum. Spectral features related to Jahn-Teller and quasi-Jahn-Teller splitting are observed, and important differences in the fragmentation pathways are revealed depending on the symmetries of the core-excited states. We interpret these experimental observations on the grounds of symmetry lowering from the T{sub d} to the C{sub 3v} point group as well as preferential orientation with respect to the polarization vector of the incident radiation.

  4. Study of the rhizobacterium Azospirillum brasilense Sp245 using Mössbauer spectroscopy with a high velocity resolution: Implication for the analysis of ferritin-like iron cores

    NASA Astrophysics Data System (ADS)

    Alenkina, I. V.; Oshtrakh, M. I.; Tugarova, A. V.; Biró, B.; Semionkin, V. A.; Kamnev, A. A.

    2014-09-01

    The results of a comparative study of two samples of the rhizobacterium Azospirillum brasilense (strain Sp245) prepared in different conditions and of human liver ferritin using Mössbauer spectroscopy with a high velocity resolution demonstrated the presence of ferritin-like iron (i.e. iron similar to that found in ferritin-like proteins) in the bacterium. Mössbauer spectra of these samples were fitted in two ways: as a rough approximation using a one quadrupole doublet fit (the homogeneous iron core model) and using a superposition of quadrupole doublets (the heterogeneous iron core model). Both results demonstrated differences in the Mössbauer parameters for mammalian ferritin and for bacterial ferritin-like iron. Moreover, some differences in the Mössbauer parameters were observed between the two samples of A. brasilense Sp245 related to the differences in their preparation conditions.

  5. Experimental verification of the surface termination in the topological insulator TlBiSe2 using core-level photoelectron spectroscopy and scanning tunneling microscopy

    NASA Astrophysics Data System (ADS)

    Kuroda, Kenta; Ye, Mao; Schwier, Eike F.; Nurmamat, Munisa; Shirai, Kaito; Nakatake, Masashi; Ueda, Shigenori; Miyamoto, Koji; Okuda, Taichi; Namatame, Hirofumi; Taniguchi, Masaki; Ueda, Yoshifumi; Kimura, Akio

    2013-12-01

    The surface termination of the promising topological insulator TlBiSe2 has been studied by surface- and bulk-sensitive probes. Our scanning tunneling microscopy has unmasked for the first time the unusual surface morphology of TlBiSe2 obtained by cleaving, where islands are formed by residual atoms on the cleaved plane. The chemical condition of these islands was identified using core-level spectroscopy. We observed thallium core-level spectra that are strongly deformed by a surface component in sharp contrast to the other elements. We propose a simple explanation for this behavior by assuming that the sample cleaving breaks the bonding between thallium and selenium atoms, leaving the thallium layer partially covering the selenium layer. These findings will assist the interpretation of future experimental and theoretical studies of this surface.

  6. Electronic Charges and Electric Potential at LaAlO3/SrTiO3 Interfaces Studied by Core-Level Photoemission Spectroscopy

    SciTech Connect

    Hwang, Harold

    2011-08-19

    We studied LaAlO{sub 3}/SrTiO{sub 3} interfaces for varying LaAlO{sub 3} thickness by core-level photoemission spectroscopy. In Ti 2p spectra for conducting 'n-type' interfaces, Ti{sup 3+} signals appeared, which were absent for insulating 'p-type' interfaces. The Ti{sup 3+} signals increased with LaAlO{sub 3} thickness, but started well below the critical thickness of 4 unit cells for metallic transport. Core-level shifts with LaAlO{sub 3} thickness were much smaller than predicted by the polar catastrophe model. We attribute these observations to surface defects/adsorbates providing charges to the interface even below the critical thickness.

  7. Improvement of Nuclear Heating Evaluation Inside the Core of the OSIRIS Material Testing Reactor

    NASA Astrophysics Data System (ADS)

    Péron, Arthur; Malouch, Fadhel; Diop, Cheikh M.

    2016-02-01

    In this paper we present a nuclear heating from neutron and photon rays calculation scheme mainly based on the Monte-Carlo neutral particle transport code TRIPOLI-4® which takes into account the axial distributions of fuel element compositions. This calculation scheme is applied to the OSIRIS reactor in order to evaluate the effect of using realistic axially heterogeneous compositions instead of uniform ones. After a description of nuclear heating evaluation, the calculation scheme is described. Numerical simulations and related results are detailed and analysed to determine the impact of axially heterogeneous compositions on fluxes, power and nuclear heating.

  8. Thermal stability of the Rh(110) missing-row reconstruction: Combination of real-time core-level spectroscopy and ab initio modeling

    SciTech Connect

    Baraldi, A.; Comelli, G.; Rosei, R.; Lizzit, S.; Bondino, F.; Sbraccia, C.; Bonini, N.; Baroni, S.; Mikkelsen, A.; Andersen, J.N.

    2005-08-15

    The thermal stability of the (1x2) missing-row phase of Rh(110), whose first layer is an ordered array of one-dimensional atomic chains, is investigated using high-resolution core-level spectroscopy and density functional calculations. The time evolution of the spectra indicates that this phase is metastable towards deconstruction into a (1x1) phase. Our calculations unveil the mechanism of this process, which is shown to be ignited by surface defects, and provide a value for the activation energy in good agreement with experimental findings.

  9. Single- and double-core-hole ion emission spectroscopy of transient neon plasmas produced by ultraintense x-ray laser pulses

    NASA Astrophysics Data System (ADS)

    Gao, Cheng; Zeng, Jiaolong; Yuan, Jianmin

    2016-02-01

    Single-core-hole (SCH) and double-core-hole (DCH) spectroscopy is investigated systematically for neon gas in the interaction with ultraintense x-ray pulses with photon energy from 937 eV to 2000 eV. A time-dependent rate equation, implemented in detailed level accounting approximation, is utilized to study the dynamical evolution of the level population and emission properties of the laser-produced highly transient plasmas. The plasma-density effects on level populations and charge-state distribution are demonstrated with an x-ray photon energy of 2000 eV. It is shown that atomic number density of relevant experiment is about 1 × 1018 cm-3, which is comparable to a recent experiment. At this density, we systematically investigate the emissivity of the transient neon plasmas. For laser photon energy in the range 937-1360 eV, resonant absorptions (RA) of 1s\\to {np} (n≥slant 2) transitions play important roles in time evolution of the population and DCH emission spectroscopy. The RA effects are illustrated in detail for an x-ray pulse of 944 eV photon energy, which creates the 1s\\to 2p RA from the SCH states (1s2{s}22{p}4, 1s2s2p5, and 1s2p6) of Ne3+. After averaging over the space and time distribution of x-ray pulse, DCH emission spectroscopy is studied at x-ray photon energies of 937, 944, 955, 968, 980, and 990 eV, where there exist 1s\\to 2p resonances from SCH states of Ne2+-Ne7+. The processes with producing DCH states are discussed. For x-ray photon energy larger than 1360 eV, no RA exist and transient plasmas show different features in the DCH spectroscopy.

  10. Dynamic Nuclear Polarization Enhanced MAS NMR Spectroscopy for Structural Analysis of HIV-1 Protein Assemblies.

    PubMed

    Gupta, Rupal; Lu, Manman; Hou, Guangjin; Caporini, Marc A; Rosay, Melanie; Maas, Werner; Struppe, Jochem; Suiter, Christopher; Ahn, Jinwoo; Byeon, In-Ja L; Franks, W Trent; Orwick-Rydmark, Marcella; Bertarello, Andrea; Oschkinat, Hartmut; Lesage, Anne; Pintacuda, Guido; Gronenborn, Angela M; Polenova, Tatyana

    2016-01-21

    Mature infectious HIV-1 virions contain conical capsids composed of CA protein, generated by the proteolytic cleavage cascade of the Gag polyprotein, termed maturation. The mechanism of capsid core formation through the maturation process remains poorly understood. We present DNP-enhanced MAS NMR studies of tubular assemblies of CA and Gag CA-SP1 maturation intermediate and report 20-64-fold sensitivity enhancements due to DNP at 14.1 T. These sensitivity enhancements enabled direct observation of spacer peptide 1 (SP1) resonances in CA-SP1 by dipolar-based correlation experiments, unequivocally indicating that the SP1 peptide is unstructured in assembled CA-SP1 at cryogenic temperatures, corroborating our earlier results. Furthermore, the dependence of DNP enhancements and spectral resolution on magnetic field strength (9.4-18.8 T) and temperature (109-180 K) was investigated. Our results suggest that DNP-based measurements could potentially provide residue-specific dynamics information by allowing for the extraction of the temperature dependence of the anisotropic tensorial or relaxation parameters. With DNP, we were able to detect multiple well-resolved isoleucine side-chain conformers; unique intermolecular correlations across two CA molecules; and functionally relevant conformationally disordered states such as the 14-residue SP1 peptide, none of which are visible at ambient temperatures. The detection of isolated conformers and intermolecular correlations can provide crucial constraints for structure determination of these assemblies. Overall, our results establish DNP-based MAS NMR spectroscopy as an excellent tool for the characterization of HIV-1 assemblies. PMID:26709853

  11. Characterization of bubble core and cloudiness in Yb3+:Sr5(PO4)3F crystals using Micro-Raman spectroscopy

    SciTech Connect

    Cui, Y; Roy, U N; Bai, L; Burger, A; Qiu, S R; Schaffers, K

    2006-11-15

    Ytterbium doped strontium fluoroapatite Yb{sup 3+}:Sr{sub 5}(PO{sub 4}){sub 3}F (Yb: S-FAP) crystals have been used in High Average Power Laser systems as gain medium. Growth induced defects associated with the crystal often affect their performance. In order to improve the crystal quality and its optical applications, it is imperative to understand the nature of these defects. In this study, we utilize Micro-Raman spectroscopy to characterize two common growth-induced defects: bubble core and cloudiness. We find the bubble core consist of voids and microcrystals of Yb: S-FAP. These microcrystals have very different orientation from that of the pure crystal outside the bubble core. In contrast to a previous report, neither Sr{sub 3}(PO{sub 4}){sub 2} nor Yb{sub 2}O{sub 3} are observed in the bubble core regions. On the other hand, the cloudy regions are made up of the host materials blended with a structural deformation along with impurities which include CaCO{sub 3}, YbPO{sub 4}, SrHPO{sub 4} and Sr{sub 2}P{sub 2}O{sub 7}. The impurities are randomly distributed in the cloudy regions. This analysis is necessary for understanding and eliminating these growth defects in Yb:S-FAP crystals.

  12. Determining the stable isotope composition of pore water from saturated and unsaturated zone core: improvements to the direct vapor equilibration laser spectroscopy method

    NASA Astrophysics Data System (ADS)

    Hendry, M. J.; Schmeling, E.; Wassenaar, L. I.; Barbour, S. L.; Pratt, D.

    2015-06-01

    A method to measure the δ2H and δ18O composition of pore waters in saturated and unsaturated geologic core samples using direct vapor equilibration and laser spectroscopy (DVE-LS) was first described in 2008, and has since been widely adopted by others. Here, we describe a number of important methodological improvements and limitations encountered in routine application of DVE-LS over several years. Generally, good comparative agreement and accuracy is obtained between core pore water isotopic data obtained using DVE-LS and that measured on water squeezed from the same core. In complex hydrogeologic settings, high-resolution DVE-LS depth profiles provide greater spatial resolution of isotopic profiles compared to long-screened or nested piezometers. When fluid is used during drilling and coring (e.g., water rotary or wet sonic drill methods), spiking the drill fluid with 2H can be conducted to identify core contamination. DVE-LS analyses yield accurate formational isotopic data for fine-textured core (e.g., clay, shale) samples, but are less effective for cores obtained from saturated permeable (e.g., sand, gravels) geologic media or on chip samples that are easily contaminated by wet rotary drilling fluid. Data obtained from DVE-LS analyses of core samples collected using wet (contamination by drill water) and dry sonic (water loss by heating) methods were also problematic. Accurate DVE-LS results can be obtained on core samples with gravimetric water contents < 5 % by increasing the sample size tested. Inexpensive Ziploc™ gas sampling bags were determined to be as good as, if not better, than other, more expensive bags. Sample storage in gas tight sample bags provides acceptable results for up to 10 days of storage; however, measureable water loss and evaporitic isotopic enrichment occurs for samples stored for up to 6 months. With appropriate care taken during sample collection and storage, the DVE-LS approach for obtaining high resolution pore water

  13. Fast characterization of functionalized silica materials by silicon-29 surface-enhanced NMR spectroscopy using dynamic nuclear polarization.

    PubMed

    Lelli, Moreno; Gajan, David; Lesage, Anne; Caporini, Marc A; Vitzthum, Veronika; Miéville, Pascal; Héroguel, Florent; Rascón, Fernando; Roussey, Arthur; Thieuleux, Chloé; Boualleg, Malika; Veyre, Laurent; Bodenhausen, Geoffrey; Copéret, Christophe; Emsley, Lyndon

    2011-02-23

    We demonstrate fast characterization of the distribution of surface bonding modes and interactions in a series of functionalized materials via surface-enhanced nuclear magnetic resonance spectroscopy using dynamic nuclear polarization (DNP). Surface-enhanced silicon-29 DNP NMR spectra were obtained by using incipient wetness impregnation of the sample with a solution containing a polarizing radical (TOTAPOL). We identify and compare the bonding topology of functional groups in materials obtained via a sol-gel process and in materials prepared by post-grafting reactions. Furthermore, the remarkable gain in time provided by surface-enhanced silicon-29 DNP NMR spectroscopy (typically on the order of a factor 400) allows the facile acquisition of two-dimensional correlation spectra. PMID:21280606

  14. Chromatographic and spectroscopic analysis of heavy crude oil mixtures with emphasis in nuclear magnetic resonance spectroscopy: a review.

    PubMed

    Silva, Sandra L; Silva, Artur M S; Ribeiro, Jorge C; Martins, Fernando G; Da Silva, Francisco A; Silva, Carlos M

    2011-11-30

    The state of the art in the characterization of heavy crude oil mixtures is presented. This characterization can be done by different techniques, such as gas chromatography (GC), high performance liquid chromatography (HPLC), thin layer chromatography (TLC), infrared spectroscopy (IR), Raman spectroscopy, nuclear magnetic resonance (NMR) spectroscopy and mass spectrometry (MS). Nuclear magnetic resonance spectroscopy is the technique of choice due to its capability to provide information on the chemical nature of individual types of hydrogen and carbon atoms in different and complex mixtures of crude oils. The progress made in the interpretation of the NMR spectra with the development of new NMR techniques and different multivariate data analyses could give relevant information about the identification and characterization of hydrocarbons and their physical and chemical properties. These progresses can improve the refining industries operation as a result of the better knowledge on the crude composition that is fed in the refining process, as well as in the prediction of better operating conditions to obtain refined products with desired specifications and in quantities desirable to meet the market demands. The improvement in the refining operation conditions is reflected in economical benefits. PMID:22027116

  15. Nuclear chemistry research and spectroscopy with radioactive sources. Twenty-first annual progress report, February 1, 1985-January 31, 1986

    SciTech Connect

    Fink, R.W.

    1985-08-31

    The nuclear chemistry group in the School of Chemistry continues investigating the radioactive decay of nuclei far from stability under this DOE contract. These nuclei are produced with heavy ions from the Holifield Heavy Ion Research Facility (HHIRF) and studied on-line with the University Isotope Separator at Oak Ridge (UNISOR). Radioactive decay represents a unique method for the population of low-energy, low-spin structures in nuclei, and new phenomena which do not occur near stability can be explored. Our research encompasses three aspects of nuclear structure: (1) nuclear spectroscopy with detailed elelt, e elt, Xelt, etc., multiparameter coincidence spectrometry; (2) on-line laser hyperfine structure (hfs) and isotope shift measurements for the determination of nuclear quadrupole moments, nuclear spins, and changes in mean nuclear charge radii as a means of revealing systematic shape changes in nuclei; and (3) theoretical calculations of predictions of nuclear models for comparison with experimental level structures in nuclei studied at UNISOR. 20 refs., 9 figs., 2 tabs.

  16. Exo- and endoribonucleolytic activities of yeast cytoplasmic and nuclear RNA exosomes are dependent on the noncatalytic core and central channel.

    PubMed

    Wasmuth, Elizabeth V; Lima, Christopher D

    2012-10-12

    The RNA exosome is an essential multisubunit ribonuclease (RNase) that contributes to cytoplasmic and nuclear RNA decay and quality control. The 9-subunit exosome core (Exo9) features a prominent central channel formed by stacked asymmetric rings of six RNase PH-like proteins and three S1/KH domain proteins. Exo9 is catalytically inert but associates with Rrp44, an endoribonuclease and processive 3'→5' exoribonuclease, and Rrp6, a distributive 3'→5' exoribonuclease. We show that Exo9 and its central channel modulate all three yeast exosome RNase activities because channel occlusion attenuates RNA binding and RNase activities in vitro and fails to complement exosome functions in vivo. We find that Rrp6 stimulates Rrp44 RNase activities and that Rrp6 is inhibited by a mutation in the Rrp44 exoribonuclease active site in 11-subunit nuclear exosomes. These results suggest the exosome core and central channel is essential because it modulates each of the known RNase activities of the yeast RNA exosome. PMID:22902556

  17. Fuel containment and stability in the gas core nuclear rocket. Final report, April 15, 1993--April 14, 1994

    SciTech Connect

    Kammash, T.

    1996-02-01

    One of the most promising approaches to advanced propulsion that could meet the objectives of the Space Exploration Initiative (SEI) is the open cycle gas core nuclear rocket (GCR). The energy in this device is generated by a fissioning uranium plasma which heats, through radiation, a propellant that flows around the core and exits through a nozzle, thereby converting thermal energy into thrust. Although such a scheme can produce very attractive propulsion parameters in the form of high specific impulse and high thrust, it does suffer from serious physics and engineering problems that must be addressed if it is to become a viable propulsion system. Among the major problems that must be solved are the confinement of the uranium plasma, potential instabilities and control problems associated with the dynamics of the uranium core, and the question of startup and fueling of such a reactor. In this paper, the authors focus their attention on the problems of equilibria and stability of the uranium care, and examine the potential use of an externally applied magnetic field for these purposes. They find that steady state operation of the reactor is possible only for certain care profiles that may not be compatible with the radiative aspect of the system. The authors also find that the system is susceptible to hydrodynamic and acoustic instabilities that could deplete the uranium fuel in a short time if not properly suppressed.

  18. Determination of apomorphine freebase in sublingual tablets by proton nuclear magnetic resonance spectroscopy.

    PubMed

    Tan, Li; Chin, Shook F; Miner, Virginia W; Dong, Liang; Gupta, Suneel; Fields, Steven M

    2016-09-10

    An apomorphine sublingual tablet formulation under development contains mixtures of apomorphine freebase (FB) and apomorphine hydrochloride salt. It is important to have a reliable analytical method to determine the ratio of the base and salt forms to ensure accuracy, reproducibility and robustness of the manufacturing processes as well as to meet the requirements of the quality target product profile. A Proton Nuclear Magnetic Resonance ((1)H NMR) spectroscopy method based on the proton shift of the amine methyl group (N-CH3) in apomorphine has been developed to determine the mole percentage of freebase to the total mole of freebase and hydrochloride salt in the drug product. The method was evaluated in terms of specificity, linearity, and variability. The presence of excipients does not interfere with the analysis. A standard calibration curve of the chemical shift as a function of the proportion of freebase forms of apomorphine was established, covering the range of 100% apomorphine freebase to 100% apomorhine hydrochloride. The correlation coefficient (r(2)), slope, and Y-intercept of the regression line are 0.998, -0.00596, and 3.191, respectively. The day-to-day variability of the (1)H shift in two instruments in the standard is less than 1% RSD. Three lots of the sublingual tablet drug product were examined and quantified by the standard. The mole percent apomorphine freebase was determined to be 73.8%, 75.2%, and 76.2%, respectively, within 100.0%±2.0% of the target value of 75.0%. The method is a new avenue to use the (1)H NMR technique for determination of apomorphine freebase and salt ratio in a solid drug product dosage form for release testing and in-process control. PMID:27454089

  19. On-line monitoring of chemical reactions by using bench-top nuclear magnetic resonance spectroscopy.

    PubMed

    Danieli, E; Perlo, J; Duchateau, A L L; Verzijl, G K M; Litvinov, V M; Blümich, B; Casanova, F

    2014-10-01

    Real-time nuclear magnetic resonance (NMR) spectroscopy measurements carried out with a bench-top system installed next to the reactor inside the fume hood of the chemistry laboratory are presented. To test the system for on-line monitoring, a transfer hydrogenation reaction was studied by continuously pumping the reaction mixture from the reactor to the magnet and back in a closed loop. In addition to improving the time resolution provided by standard sampling methods, the use of such a flow setup eliminates the need for sample preparation. Owing to the progress in terms of field homogeneity and sensitivity now available with compact NMR spectrometers, small molecules dissolved at concentrations on the order of 1 mmol L(-1) can be characterized in single-scan measurements with 1 Hz resolution. Owing to the reduced field strength of compact low-field systems compared to that of conventional high-field magnets, the overlap in the spectrum of different NMR signals is a typical situation. The data processing required to obtain concentrations in the presence of signal overlap are discussed in detail, methods such as plain integration and line-fitting approaches are compared, and the accuracy of each method is determined. The kinetic rates measured for different catalytic concentrations show good agreement with those obtained with gas chromatography as a reference analytical method. Finally, as the measurements are performed under continuous flow conditions, the experimental setup and the flow parameters are optimized to maximize time resolution and signal-to-noise ratio. PMID:25111845

  20. Dynamic nuclear polarization-enhanced 13C NMR spectroscopy of static biological solids

    PubMed Central

    Potapov, Alexey; Yau, Wai-Ming; Tycko, Robert

    2013-01-01

    We explore the possibility of using dynamic nuclear polarization (DNP) to enhance signals in structural studies of biological solids by solid state NMR without sample spinning. Specifically, we use 2D 13C-13C exchange spectroscopy to probe the peptide backbone torsion angles (ϕ,ψ) in a series of selectively 13C-labeled 40-residue β-amyloid (Aβ1–40) samples, in both fibrillar and non-fibrillar states. Experiments are carried out at 9.39 T and 8 K, using a static double-resonance NMR probe and low-power microwave irradiation at 264 GHz. In frozen solutions of Aβ1–40 fibrils doped with DOTOPA-TEMPO, we observe DNP signal enhancement factors of 16–21. We show that the orientation- and frequency-dependent spin polarization exchange between sequential backbone carbonyl 13C labels can be simulated accurately using a simple expression for the exchange rate, after experimentally determined homogeneous 13C lineshapes are incorporated in the simulations. The experimental 2D 13C-13C exchange spectra place constraints on the ϕ and ψ angles between the two carbonyl labels. Although the data are not sufficient to determine ϕ and ψ uniquely, the data do provide non-trivial constraints that could be included in structure calculations. With DNP at low temperatures, 2D 13C-13C exchange spectra can be obtained from a 3.5 mg sample of Aβ1–40 fibrils in 4 hr or less, despite the broad 13C chemical shift anisotropy line shapes that are observed in static samples. PMID:23562665

  1. Application of resonance Raman spectroscopy as a nuclear proliferation detection technology

    SciTech Connect

    Sedlacek, A.J. III; Chen, C.L.; Dougherty, D.R.

    1993-03-01

    Resonance Raman spectroscopy (RRS) potentially possesses many of the characteristics of an ideal verification technology. Some of these ideal traits are: very high selectivity and specificity to allow the deconvolution of a mixture of the chemicals of interest, high sensitivity in order to measure a species at trace levels, high reliability and long-term durability, applicability to a wide range of chemicals capability for sensing in a variety of environmental conditions, independence of the physical state of the chemical capability for quantitative analysis, and finally, but no less important capability for full signal development within seconds. In this presentation, the potential of RRS as a detection/identification technology for chemicals pertinent to nuclear materials production and processing will be assessed. A review of the basic principles behind this technique, both theoretical and experimental, will be discussed along with some recent results obtained in this laboratory. Raman scattering is a coherent, inelastic, two-photon scattering process where an exciting photon of energy hv promotes a molecule to a virtual level and the subsequently emitted photon is shifted in frequency in accordance with the rotational-vibrational structure of the irradiated species, therefore providing a unique fingerprint of the molecule. The enhancement of a Raman signal occurs when the excitation frequency is isoenergetic with an allowed electronic transition. Under resonance conditions, scattering cross-sections have been enhanced up to 6 orders of magnitude, thereby allowing the measurement of resonance Raman spectra from concentrations as dilute as 20 ppb for PAHs (with the potential of pptr). In detection/verification programs, this condition translates to increased sensitivity (ppm/ppb) and increased probing distance (m/km).

  2. Application of resonance Raman spectroscopy as a nuclear proliferation detection technology

    SciTech Connect

    Sedlacek, A.J. III; Chen, C.L.; Dougherty, D.R.

    1993-01-01

    Resonance Raman spectroscopy (RRS) potentially possesses many of the characteristics of an ideal verification technology. Some of these ideal traits are: very high selectivity and specificity to allow the deconvolution of a mixture of the chemicals of interest, high sensitivity in order to measure a species at trace levels, high reliability and long-term durability, applicability to a wide range of chemicals capability for sensing in a variety of environmental conditions, independence of the physical state of the chemical capability for quantitative analysis, and finally, but no less important capability for full signal development within seconds. In this presentation, the potential of RRS as a detection/identification technology for chemicals pertinent to nuclear materials production and processing will be assessed. A review of the basic principles behind this technique, both theoretical and experimental, will be discussed along with some recent results obtained in this laboratory. Raman scattering is a coherent, inelastic, two-photon scattering process where an exciting photon of energy hv promotes a molecule to a virtual level and the subsequently emitted photon is shifted in frequency in accordance with the rotational-vibrational structure of the irradiated species, therefore providing a unique fingerprint of the molecule. The enhancement of a Raman signal occurs when the excitation frequency is isoenergetic with an allowed electronic transition. Under resonance conditions, scattering cross-sections have been enhanced up to 6 orders of magnitude, thereby allowing the measurement of resonance Raman spectra from concentrations as dilute as 20 ppb for PAHs (with the potential of pptr). In detection/verification programs, this condition translates to increased sensitivity (ppm/ppb) and increased probing distance (m/km).

  3. Dynamic nuclear polarization-enhanced 13C NMR spectroscopy of static biological solids

    NASA Astrophysics Data System (ADS)

    Potapov, Alexey; Yau, Wai-Ming; Tycko, Robert

    2013-06-01

    We explore the possibility of using dynamic nuclear polarization (DNP) to enhance signals in structural studies of biological solids by solid state NMR without sample spinning. Specifically, we use 2D 13C-13C exchange spectroscopy to probe the peptide backbone torsion angles (ϕ, ψ) in a series of selectively 13C-labeled 40-residue β-amyloid (Aβ1-40) samples, in both fibrillar and non-fibrillar states. Experiments are carried out at 9.39 T and 8 K, using a static double-resonance NMR probe and low-power microwave irradiation at 264 GHz. In frozen solutions of Aβ1-40 fibrils doped with DOTOPA-TEMPO, we observe DNP signal enhancement factors of 16-21. We show that the orientation- and frequency-dependent spin polarization exchange between sequential backbone carbonyl 13C labels can be simulated accurately using a simple expression for the exchange rate, after experimentally determined homogeneous 13C lineshapes are incorporated in the simulations. The experimental 2D 13C-13C exchange spectra place constraints on the ϕ and ψ angles between the two carbonyl labels. Although the data are not sufficient to determine ϕ and ψ uniquely, the data do provide non-trivial constraints that could be included in structure calculations. With DNP at low temperatures, 2D 13C-13C exchange spectra can be obtained from a 3.5 mg sample of Aβ1-40 fibrils in 4 h or less, despite the broad 13C chemical shift anisotropy line shapes that are observed in static samples.

  4. HIGH ANGULAR RESOLUTION INTEGRAL-FIELD SPECTROSCOPY OF THE GALAXY'S NUCLEAR CLUSTER: A MISSING STELLAR CUSP?

    SciTech Connect

    Do, T.; Ghez, A. M.; Morris, M. R.; Yelda, S.; Larkin, J.; Lu, J. R.; Matthews, K.

    2009-10-01

    We report on the structure of the nuclear star cluster in the innermost 0.16 pc of the Galaxy as measured by the number density profile of late-type giants. Using laser guide star adaptive optics in conjunction with the integral field spectrograph, OSIRIS, at the Keck II telescope, we are able to differentiate between the older, late-type (approx 1 Gyr) stars, which are presumed to be dynamically relaxed, and the unrelaxed young (approx 6 Myr) population. This distinction is crucial for testing models of stellar cusp formation in the vicinity of a black hole, as the models assume that the cusp stars are in dynamical equilibrium in the black hole potential. In the survey region, we classified 60 stars as early-type (22 newly identified) and 74 stars as late-type (61 newly identified). We find that contamination from young stars is significant, with more than twice as many young stars as old stars in our sensitivity range (K' < 15.5) within the central arcsecond. Based on the late-type stars alone, the surface stellar number density profile, SIGMA(R) propor to R {sup -G}AMMA, is flat, with GAMMA = -0.27 +- 0.19. Monte Carlo simulations of the possible de-projected volume density profile, n(r) propor tor {sup -g}amma, show that gamma is less than 1.0 at the 99.7% confidence level. These results are consistent with the nuclear star cluster having no cusp, with a core profile that is significantly flatter than that predicted by most cusp formation theories, and even allows for the presence of a central hole in the stellar distribution. Of the possible dynamical interactions that can lead to the depletion of the red giants observable in this survey-stellar collisions, mass segregation from stellar remnants, or a recent merger event-mass segregation is the only one that can be ruled out as the dominant depletion mechanism. The lack of a stellar cusp around a supermassive black hole would have important implications for black hole growth models and inferences on the

  5. First-principles core-level X-ray photoelectron spectroscopy calculation on arsenic defects in silicon crystal

    SciTech Connect

    Kishi, Hiroki; Miyazawa, Miki; Matsushima, Naoki; Yamauchi, Jun

    2014-02-21

    We investigate the X-ray photoelectron spectroscopy (XPS) binding energies of As 3d in Si for various defects in neutral and charged states by first-principles calculation. It is found that the complexes of a substitutional As and a vacancy in charged and neutral states explain the experimentally observed unknown peak very well.

  6. Characterization of the low-temperature triplet state of chlorophyll in photosystem II core complexes: Application of phosphorescence measurements and Fourier transform infrared spectroscopy.

    PubMed

    Zabelin, Alexey A; Neverov, Konstantin V; Krasnovsky, Alexander A; Shkuropatova, Valentina A; Shuvalov, Vladimir A; Shkuropatov, Anatoly Ya

    2016-06-01

    Phosphorescence measurements at 77 K and light-induced FTIR difference spectroscopy at 95 K were applied to study of the triplet state of chlorophyll a ((3)Chl) in photosystem II (PSII) core complexes isolated from spinach. Using both methods, (3)Chl was observed in the core preparations with doubly reduced primary quinone acceptor QA. The spectral parameters of Chl phosphorescence resemble those in the isolated PSII reaction centers (RCs). The main spectral maximum and the lifetime of the phosphorescence corresponded to 955±1 nm and of 1.65±0.05 ms respectively; in the excitation spectrum, the absorption maxima of all core complex pigments (Chl, pheophytin a (Pheo), and β-carotene) were observed. The differential signal at 1667(-)/1628(+)cm(-1) reflecting a downshift of the stretching frequency of the 13(1)-keto C=O group of Chl was found to dominate in the triplet-minus-singlet FTIR difference spectrum of core complexes. Based on FTIR results and literature data, it is proposed that (3)Chl is mostly localized on the accessory chlorophyll that is in triplet equilibrium with P680. Analysis of the data suggests that the Chl triplet state responsible for the phosphorescence and the FTIR difference spectrum is mainly generated due to charge recombination in the reaction center radical pair P680(+)PheoD1(-), and the energy and temporal parameters of this triplet state as well as the molecular environment and interactions of the triplet-bearing Chl molecule are similar in the PSII core complexes and isolated PSII RCs. PMID:27040752

  7. Ellipticals with kinematically distinct cores : HST imaging of the nuclear structure of IC 1459

    NASA Technical Reports Server (NTRS)

    Forbes, Duncan A.; Franx, Marijn; Illingworth, Garth D.

    1994-01-01

    The elliptical galaxy IC 1459 has one of the strongest counter-rotating core components of any observed elliptical. Here we present Hubble Space Telescope (HST) Planetary Camera images of the center of IC 1459. Before deconvolution, our V band images reveal a bright point source at the galaxy nucleus, and dust near the nucleus. After removal of the central point source, deconvolution and model fitting, we show that the central starlight profile is better fit by a 'cusp' model than an isothermal core model. The photometric properties of the stellar light are comparable to those of other ellipticals without counter-rotating core components. There is an indication of a central stellar disk, although its detection is complicated by the extensive dust. Although the velocity field of the emission-line gas is ordered, the dust distribution is very irregular, and indicates nonequilibrium motions. The irregular dust distribution suggests that material is currently infalling and may be fueling the active nucleus. There is no direct evidence which relates the dust and gas to the peculiar stellar kinematics.

  8. ON THE TRANSITION FROM NUCLEAR-CLUSTER- TO BLACK-HOLE-DOMINATED GALAXY CORES

    SciTech Connect

    Bekki, Kenji; Graham, Alister W.

    2010-05-10

    Giant elliptical galaxies, believed to be built from the merger of lesser galaxies, are known to house a massive black hole (MBH) at their center rather than a compact star cluster. If low- and intermediate-mass galaxies do indeed partake in the hierarchical merger scenario, then one needs to explain why their dense nuclear star clusters are not preserved in merger events. A valuable clue may be the recent revelation that nuclear star clusters and MBHs frequently co-exist in intermediate-mass bulges and elliptical galaxies. In an effort to understand the physical mechanism responsible for the disappearance of nuclear star clusters, we have numerically investigated the evolution of merging star clusters with seed BHs. Using BHs that are 1%-5% of their host nuclear cluster mass, we reveal how their binary coalescence during a merger dynamically heats the newly wed star cluster, expanding it, significantly lowering its central stellar density, and thus making it susceptible to tidal destruction during galaxy merging. Moreover, this mechanism provides a pathway to explain the observed reduction in the nucleus-to-galaxy stellar mass ratio as one proceeds from dwarf to giant elliptical galaxies.

  9. HPC-enabled Nuclear Structure Studies - Description and Applications of the Symmetry-adapted No-Core Shell Model

    NASA Astrophysics Data System (ADS)

    Draayer, J. P.; Dytrych, T.; Launey, K. D.; Dreyfuss, A. C.; Langr, D.

    2015-02-01

    By exploiting symmetries that enable the accounting of vital collective correlations in nuclei, we achieve significantly reduced dimensions for equivalent ultra-large model spaces, and hence resolve the scale explosion problem in nuclear structure calculations, i.e, the explosive growth in computational resource demands with increasing number of particles and size of the spaces in which they reside. As a result, we provide - with the help of High Performance Computing (HPC) resources - first solutions for selected benchmark calculations with remarkable findings of large-deformation and low-spin dominance in low-lying nuclear states. In the framework of a complementary symmetry-adapted study, one is able, facilitated by symmetry-preserving pieces of the inter-nucleon interaction, to accommodate unprecedented shell-model spaces critical to capture the physics governing the Hoyle state in 12C, thereby addressing a 60-year-old puzzle on the emergence of cluster substructures within a no-core shell model framework. All of these findings underline the key role of symmetries in nuclear structure studies.

  10. Resonant Auger spectroscopy study of charge transfer phenomena in N 1s core-excited acetonitrile adsorbates on Si(0 0 1)-2 × 1

    NASA Astrophysics Data System (ADS)

    Gallet, J.-J.; Bournel, F.; Carniato, S.; Dufour, G.; Rochet, F.; Rangan, S.; Sirotti, F.

    2007-01-01

    Acetonitrile (CH 3CN) adsorbs on Si(0 0 1)-2 × 1 at room temperature under two forms, a cycloaddition-like adduct (Si-C dbnd N-Si) and a pendent cyano (Si-CH 2-C tbnd N) resulting from the decomposition of the molecule. Resonant Auger spectroscopy has been used to study the excited-state-dependent electron transfer from the N 1s core-excited molecular adsorbate to the silicon substrate, using the core-hole lifetime (˜6 fs) as an internal clock. It is shown that the π C dbnd N ∗ NEXAFS state lies within the silicon bandgap because of a core-excitonic effect. Therefore no charge transfer of the excited electron to the substrate is observed. On the other hand the π C tbnd N ∗ NEXAFS state is placed within the silicon conduction band. Excitation to this orbital leads to valence/Auger spectra in which both resonant and normal Auger contributions are observed. Therefore there is evidence for a charge transfer from the pendent C tbnd N to the silicon surface, on a timescale estimated to tens of femtoseconds.

  11. An intrinsically safe facility for forefront research and training on nuclear technologies — Core design

    NASA Astrophysics Data System (ADS)

    Viberti, C. M.; Ricco, G.

    2014-04-01

    The core of a subcritical, low-power research reactor in a lead matrix has been designed using the MCNPX code. The main parameters, like geometry, material composition in the fuel assembly and reflector size, have been optimized for a k eff ˜ 0.95 and a thermal power around 200 Kw. A 70 Mev, 1 mA proton beam incident on a beryllium target has been assumed as neutron source and the corresponding thermal power distribution and neutron fluxes in the reactor have been simulated.

  12. Lunar in-core thermionic nuclear reactor power system conceptual design

    NASA Technical Reports Server (NTRS)

    Mason, Lee S.; Schmitz, Paul C.; Gallup, Donald R.

    1991-01-01

    This paper presents a conceptual design of a lunar in-core thermionic reactor power system. The concept consists of a thermionic reactor located in a lunar excavation with surface mounted waste heat radiators. The system was integrated with a proposed lunar base concept representative of recent NASA Space Exploration Initiative studies. The reference mission is a permanently-inhabited lunar base requiring a 550 kWe, 7 year life central power station. Performance parameters and assumptions were based on the Thermionic Fuel Element (TFE) Verification Program. Five design cases were analyzed ranging from conservative to advanced. The cases were selected to provide sensitivity effects on the achievement of TFE program goals.

  13. Explosions in Real-Time: Ultra-Rapid UV Flash Spectroscopy of Infant Core-Collapse Supernovae

    NASA Astrophysics Data System (ADS)

    Gal-Yam, Avishay

    2014-10-01

    Recent advances in transient survey hardware, computing and operations now allow real-time alerts and rapid follow-up spectroscopy of supernovae (SNe) within hours of explosion. The spectra at such early times are a new scientific territory; the first handful of exploratory cases show that optical spectra of massive star Type II SN explosions are dominated by high-ionization recombination lines from circumstellar material ionized by the SN shock-breakout flash ("flash spectroscopy"). UV spectroscopy of infant SN explosions at such early times offers compelling science: a unique insight into the first hours of the explosion, a way to determine the initial metallicity and surface composition of the exploding star (reflected in CSM abundances) as well as a probe of the final year of mass loss leading to the terminal SN event, tracing the final stages of pre-explosion stellar evolution. This is only possible with HST in ultra-rapid ToO mode. Here we propose to undertake such a study of a single, carefully selected SN in cycle 22. This proposal can lead to yet another signature achievement by Hubble.

  14. An out-of-core thermionic-converter system for nuclear space power

    NASA Technical Reports Server (NTRS)

    Breitwieser, R.

    1972-01-01

    Design of the nuclear thermionic space power system, 40 50 70 Kw(e) power range, are given. The design configuration (1) meets the constraints of readily available launch vehicles; (2) allows for off-design operation including startup, shutdown, and possible emergency conditions; (3) provides tolerance of failure by extensive use of modular, redundant elements; (4) incorporates and uses heat pipes in a fashion that reduces the need for extensive in-pile testing of system components; and (5) uses thermionic converters, nuclear fuel elements, and heat transfer devices in a geometrical form adapted from existing incore thermionic system designs. Designs and in some cases performance data for elements and groups of the elements of the system are included. Benefits of the highly modular system approach to reliability, safety, economy of development, and flexibility are discussed.

  15. Some Nuclear Calculations of U-235-D2O Gaseous-Core Cavity Reactors

    NASA Technical Reports Server (NTRS)

    Ragsdale, Robert G.; Hyland, Robert E.

    1961-01-01

    The results of a multigroup, diffusion theory study of spherical gaseous-core cavity reactors are presented in this report. The reactor cavity of gaseous U235 is enclosed by a region of hydrogen gas and is separated from an external D2O moderator-reflector by a zirconium structural shell. Some cylindrical reactors are also investigated. A parametric study of spherical reactors indicates that, for the range of variables studied, critical mass increases as: (1) Fuel region is compressed within the reactor cavity, (2) moderator thickness is decreased, (3) structural shell thickness is increased, and (4) moderator temperature is increased. A buckling analogy is used to estimate the critical mass of fully reflected cylindrical reactors from spherical results without fuel compression. For a reactor cavity of a 120-centimeter radius uniformly filled with fuel, no structural shell, a moderator temperature of 70 F, and a moderator thickness of 100 centimeters, the critical mass of a spherical reactor is 3.1 kilograms while that of a cylinder with a length-to-diameter ratio of 1.0 (L/D = 1) is approximately 3.8 kilograms and, with L/D = 2, 5.9 kilograms. For the range of variables considered for U235-D2O gaseous-core cavity reactors, the systems are characterized by 95 to 99 percent thermal absorptions, with the flux reaching a maximum in the moderator about 10 to 15 centimeters from the reactor cavity.

  16. Exploring the nuclear pasta phase in core-collapse supernova matter.

    PubMed

    Pais, Helena; Stone, Jirina R

    2012-10-12

    The core-collapse supernova phenomenon, one of the most explosive events in the Universe, presents a challenge to theoretical astrophysics. Of the large variety of forms of matter present in core-collapse supernova, we focus on the transitional region between homogeneous (uniform) and inhomogeneous (pasta) phases. A three-dimensional, finite temperature Skyrme-Hartree-Fock (3D-SHF)+BCS calculation yields, for the first time fully self-consistently, the critical density and temperature of both the onset of the pasta in inhomogeneous matter, consisting of neutron-rich heavy nuclei and a free neutron and electron gas, and its dissolution to a homogeneous neutron, proton, and electron liquid. We also identify density regions for different pasta formations between the two limits. We employ four different forms of the Skyrme interaction, SkM*, SLy4, NRAPR, and SQMC700 and find subtle variations in the low density and high density transitions into and out of the pasta phase. One new stable pasta shape has been identified, in addition to the classic ones, on the grid of densities and temperatures used in this work. Our results are critically compared to recent calculations of pasta formation in the quantum molecular dynamics approach and Thomas-Fermi and coexisting phase approximations to relativistic mean-field models. PMID:23102290

  17. Crew radiation dose from the plume of a high impulse gas-core nuclear rocket during a Mars mission.

    NASA Technical Reports Server (NTRS)

    Masser, C. C.

    1971-01-01

    Analytical calculations are performed to determine the radiation dose rate and total dose to the crew of a gas-core nuclear rocket from the fission fragments located throughout the plume volume. The radiation dose from the plume fission fragments to two crew locations of 100 and 200 meters from the nozzle exit are calculated. It is found that, in the case of the most probable fission fragment retention time of 100 seconds, the crew must be protected from the radiation dose. Five centimeters of lead shielding would reduce the radiation dose by two orders of magnitude thereby protecting the crew. The increase in vehicle weight would be insignificant (7150 kg to a vehicle gross weight of 0.94 million kg).

  18. Core and valence excitations in resonant X-ray spectroscopy using restricted excitation window time-dependent density functional theory

    PubMed Central

    Zhang, Yu; Biggs, Jason D.; Healion, Daniel; Govind, Niranjan; Mukamel, Shaul

    2012-01-01

    We report simulations of X-ray absorption near edge structure (XANES), resonant inelastic X-ray scattering (RIXS) and 1D stimulated X-ray Raman spectroscopy (SXRS) signals of cysteine at the oxygen, nitrogen, and sulfur K and \\documentclass[12pt]{minimal}\\begin{document}$\\textrm {L}_{2,3}$\\end{document}L2,3 edges. Comparison of the simulated XANES signals with experiment shows that the restricted window time-dependent density functional theory is more accurate and computationally less expensive than the static exchange method. Simulated RIXS and 1D SXRS signals give some insights into the correlation of different excitations in the molecule. PMID:23181305

  19. Core and Valence Excitations in Resonant X-ray Spectroscopy using Restricted Excitation Window Time-dependent Density Functional Theory

    SciTech Connect

    Zhang, Yu; Biggs, Jason D.; Healion, Daniel; Govind, Niranjan; Mukamel, Shaul

    2012-11-21

    We report simulations of X-ray absorption near edge structure (XANES), resonant inelastic X-ray scattering (RIXS) and 1D stimulated X-ray Raman spectroscopy (SXRS) signals of cysteine at the oxygen, nitrogen and sulfur K and L2,3 edges. The simulated XANES signals from the restricted window time-dependent density functional theory (REW-TDDFT) and the static exchange (STEX) method are compared with experiments, showing that REW-TDDFT is more accurate and computationally less expensive than STEX. Simulated RIXS and 1D SXRS signals from REW-TDDFT give some insights on the correlation of different excitations in the molecule.

  20. Investigation of aerosols released at high temperature from nuclear reactor core models

    NASA Astrophysics Data System (ADS)

    Pintér Csordás, A.; Matus, L.; Czitrovszky, A.; Jani, P.; Maróti, L.; Hózer, Z.; Windberg, P.; Hummel, R.

    2000-12-01

    Two experiments were performed to simulate severe reactor accident with air ingress into the hot reactor core. The model bundles contained nine PWR type fuel rods. Their cladding was pre-oxidised by argon-oxygen (test 1) and steam (test 2). The released aerosol was measured continuously by laser particle counters. Morphology and elemental composition of the aerosol particles were studied on samples collected by impactors and quartz filters. The highest aerosol release was detected at the steepest rise of the bundle temperature. A second increase of the aerosol release appeared at the cooling down period. Because of the higher maximum temperature at test 2 about two orders of magnitude more uranium was released than in test 1. The highest emission was found for tin at test 1 and for zirconium and iron at test 2.

  1. Polyglutamine Amyloid Core Boundaries and Flanking Domain Dynamics in Huntingtin Fragment Fibrils Determined by Solid-State Nuclear Magnetic Resonance

    PubMed Central

    2015-01-01

    In Huntington’s disease, expansion of a polyglutamine (polyQ) domain in the huntingtin (htt) protein leads to misfolding and aggregation. There is much interest in the molecular features that distinguish monomeric, oligomeric, and fibrillar species that populate the aggregation pathway and likely differ in cytotoxicity. The mechanism and rate of aggregation are greatly affected by the domains flanking the polyQ segment within exon 1 of htt. A “protective” C-terminal proline-rich flanking domain inhibits aggregation by inducing polyproline II structure (PPII) within an extended portion of polyQ. The N-terminal flanking segment (httNT) adopts an α-helical structure as it drives aggregation, helps stabilize oligomers and fibrils, and is seemingly integral to their supramolecular assembly. Via solid-state nuclear magnetic resonance (ssNMR), we probe how, in the mature fibrils, the htt flanking domains impact the polyQ domain and in particular the localization of the β-structured amyloid core. Using residue-specific and uniformly labeled samples, we find that the amyloid core occupies most of the polyQ domain but ends just prior to the prolines. We probe the structural and dynamical features of the remarkably abrupt β-sheet to PPII transition and discuss the potential connections to certain htt-binding proteins. We also examine the httNT α-helix outside the polyQ amyloid core. Despite its presumed structural and demonstrated stabilizing roles in the fibrils, quantitative ssNMR measurements of residue-specific dynamics show that it undergoes distinct solvent-coupled motion. This dynamical feature seems reminiscent of molten-globule-like α-helix-rich features attributed to the nonfibrillar oligomeric species of various amyloidogenic proteins. PMID:25280367

  2. Site-specific hydration dynamics in the nonpolar core of a molten globule by dynamic nuclear polarization of water.

    PubMed

    Armstrong, Brandon D; Choi, Jennifer; López, Carlos; Wesener, Darryl A; Hubbell, Wayne; Cavagnero, Silvia; Han, Songi

    2011-04-20

    Water-protein interactions play a direct role in protein folding. The chain collapse that accompanies protein folding involves extrusion of water from the nonpolar core. For many proteins, including apomyoglobin (apoMb), hydrophobic interactions drive an initial collapse to an intermediate state before folding to the final structure. However, the debate continues as to whether the core of the collapsed intermediate state is hydrated and, if so, what the dynamic nature of this water is. A key challenge is that protein hydration dynamics is significantly heterogeneous, yet suitable experimental techniques for measuring hydration dynamics with site-specificity are lacking. Here, we introduce Overhauser dynamic nuclear polarization at 0.35 T via site-specific nitroxide spin labels as a unique tool to probe internal and surface protein hydration dynamics with site-specific resolution in the molten globular, native, and unfolded protein states. The (1)H NMR signal enhancement of water carries information about the local dynamics of the solvent within ∼10 Å of a spin label. EPR is used synergistically to gain insights on local polarity and mobility of the spin-labeled protein. Several buried and solvent-exposed sites of apoMb are examined, each bearing a covalently bound nitroxide spin label. We find that the nonpoloar core of the apoMb molten globule is hydrated with water bearing significant translational dynamics, only 4-6-fold slower than that of bulk water. The hydration dynamics of the native state is heterogeneous, while the acid-unfolded state bears fast-diffusing hydration water. This study provides a high-resolution glimpse at the folding-dependent nature of protein hydration dynamics. PMID:21443207

  3. A new sensor for detection of coolant leakage in nuclear power plants using off-axis integrated cavity output spectroscopy

    NASA Astrophysics Data System (ADS)

    Lee, Lim; Park, Hyunmin; Kim, Taek-Soo; Ko, Kwang-Hoon; Jeong, Do-Young

    2012-06-01

    A new sensor based on laser absorption spectroscopy was developed for the detection of coolant leakage which may happen in pressurized heavy water reactor (PHWR). Off-axis integrated output spectroscopy (OA-ICOS) technique was adopted for developing a simple and robust sensor with sufficient sensitivity. Leak events could be monitored by detecting a small change in semi-heavy water (HDO) concentration induced by the exchange reaction of leaked heavy water (D2O) with light water (H2O). From the results of feasibility tests, we have shown that the measured area of absorption features was linearly correlated with HDO concentration, and the minimum detectable change of HDO concentration with the developed sensor was evaluated as 3.2 ppm. This new sensor is expected to be a reliable and promising device for the detection of coolant leakage since it has some advantages on real-time monitoring and early detection for nuclear safety.

  4. Laser spectroscopy of atoms in superfluid helium for the measurement of nuclear spins and electromagnetic moments of radioactive atoms

    NASA Astrophysics Data System (ADS)

    Fujita, T.; Furukawa, T.; Imamura, K.; Yang, X. F.; Hatakeyama, A.; Kobayashi, T.; Ueno, H.; Asahi, K.; Shimoda, T.; Matsuo, Y.

    2015-11-01

    A new laser spectroscopic method named "OROCHI (Optical RI-atom Observation in Condensed Helium as Ion catcher)" has been developed for deriving the nuclear spins and electromagnetic moments of low-yield exotic nuclei. In this method, we observe atomic Zeeman and hyperfine structures using laser-radio-frequency/microwave double-resonance spectroscopy. In our previous works, double-resonance spectroscopy was performed successfully with laser-sputtered stable atoms including non-alkali Au atoms as well as alkali Rb and Cs atoms. Following these works, measurements with 84-87Rb energetic ion beams were carried out in the RIKEN projectile fragment separator (RIPS). In this paper, we report the present status of OROCHI and discuss its feasibility, especially for low-yield nuclei such as unstable Au isotopes.

  5. Partial-Homogeneity-Based Two-Dimensional High-Resolution Nuclear Magnetic Resonance Spectroscopy under Inhomogeneous Magnetic Fields.

    PubMed

    Qiu, Wenqi; Wei, Zhiliang; Ding, Nan; Yang, Yu; Ye, Qimiao; Lin, Yulan; Chen, Zhong

    2016-05-18

    High-resolution multidimensional nuclear magnetic resonance (NMR) spectroscopy serves as an irreplaceable and versatile tool in various chemical investigations. In this study, a method based on the concept of partial homogeneity is developed to offer two-dimensional (2D) high-resolution NMR spectra under inhomogeneous fields. Oscillating gradients are exerted to encode the high-resolution information, and a field-inhomogeneity correction algorithm based on pattern recognition is designed to recover high-resolution spectra. Under fields where inhomogeneity primarily distributes along a single orientation, the proposed method will improve performances of 2D NMR spectroscopy without increasing the experimental duration or significant loss in sensitivity, and thus may open important perspectives for studies of inhomogeneous chemical systems. PMID:26891886

  6. Organic Chemistry of Low-Mass Star-Forming Cores. I. 7 mm Spectroscopy of Chamaeleon MMSl

    NASA Technical Reports Server (NTRS)

    Cordiner, Martn A.; Charnley, Steven B.; Wirtstroem, Eva S.; Smith, Robert G.

    2012-01-01

    Observations are presented of emission lines from organic molecules at frequencies 32-50 GHz in the vicinity of Chamaeleon MMS1. This chemically rich dense cloud core harbors an extremely young, very low luminosity protostellar object and is a candidate first hydrostatic core. Column densities are derived and emission maps are presented for species including polyynes, cyanopolyynes, sulphuretted carbon chains, and methanol. The polyyne emission peak lies about 5000 AU from the protostar, whereas methanol peaks about 15,000 AU away. Averaged over the telescope beam, the molecular hydrogen number density is calculated to be 10(exp 6) / cubic cm and the gas kinetic temperature is in the range 5-7 K. The abundances of long carbon chains are very large and are indicative of a nonequilibrium carbon chemistry; C6H and HC7N column densities are 5.9(sup +2.9) (sub -1.3) x 10(exp 11) /cubic cm and 3.3 (sup +8.0)(sub -1.5) x 10(exp 12)/sq cm, respectively, which are similar to the values found in the most carbon-chain-rich protostars and prestellar cores known, and are unusually large for star-forming gas. Column density upper limits were obtained for the carbon chain anions C4H(-) and C6H(-), with anion-to-neutral ratios [C4H(-)]/[C4H] < 0.02% and [C6H(-l)]/[C6H] < 10%, consistent with previous observations in interstellar clouds and low-mass protostars. Deuterated HC,3 and c-C3H2 were detected. The [DC3N]/[HC,N] ratio of approximately 4% is consistent with the value typically found in cold interstellar gas.

  7. Development and experimental validation of a calculation scheme for nuclear heating evaluation in the core of the OSIRIS material testing reactor

    SciTech Connect

    Malouch, F.

    2011-07-01

    The control of the temperature in material samples irradiated in a material testing reactor requires the knowledge of the nuclear heating caused by the energy deposition by neutrons and photons interacting in the irradiation device structures. Thus, a neutron-photonic three-dimensional calculation scheme has been developed to evaluate the nuclear heating in experimental devices irradiated in the core of the OSIRIS MTR reactor (CEA/Saclay Center). The aim is to obtain a predictive tool for the nuclear heating estimation in irradiation devices. This calculation scheme is mainly based on the TRIPOLI-4 three-dimensional continuous-energy Monte Carlo transport code, developed by CEA (Saclay Center). An experimental validation has been carried out on the basis of nuclear heating measurements performed in the OSIRIS core. After an overview of the experimental devices irradiated in the OSIRIS reactor, we present the calculation scheme and the first results of the experimental validation. (authors)

  8. OPTICAL SPECTROSCOPY OF H{alpha} FILAMENTS IN COOL CORE CLUSTERS: KINEMATICS, REDDENING, AND SOURCES OF IONIZATION

    SciTech Connect

    McDonald, Michael; Veilleux, Sylvain; Rupke, David S. N. E-mail: veilleux@astro.umd.edu

    2012-02-20

    We have obtained deep, high spatial and spectral resolution, long-slit spectra of the H{alpha} nebulae in the cool cores of nine galaxy clusters. This sample provides a wealth of information on the ionization state, kinematics, and reddening of the warm gas in the cool cores of galaxy clusters. We find evidence for only small amounts of reddening in the extended, line-emitting filaments, with the majority of filaments having E(B - V) < 0.2. We find, in agreement with previous works, that the optical emission in cool core clusters has elevated low-ionization line ratios. The combination of [O III]/H{beta}, [N II]/H{alpha}, [S II]/H{alpha}, and [O I]/H{alpha} allow us to rule out collisional ionization by cosmic rays, thermal conduction, and photoionization by intracluster medium (ICM) X-rays and active galactic nuclei as strong contributors to the ionization in the bulk of the optical line-emitting gas in both the nuclei and filaments. The data are adequately described by a composite model of slow shocks and star formation. This model is further supported by an observed correlation between the line widths and low-ionization line ratios which becomes stronger in systems with more modest star formation activity based on far-ultraviolet observations. We find that the more extended, narrow filaments tend to have shallower velocity gradients and narrower line widths than the compact filamentary complexes. We confirm that the widths of the emission lines decrease with radius, from FWHM {approx}600 km s{sup -1} in the nuclei to FWHM {approx}100 km s{sup -1} in the most extended filaments. The variation of line width with radius is vastly different than what is measured from stellar absorption lines in a typical giant elliptical galaxy, suggesting that the velocity width of the warm gas may in fact be linked to ICM turbulence and, thus, may provide a glimpse into the amount of turbulence in cool cores. In the central regions (r < 10 kpc) of several systems the warm gas

  9. Continuous field deployable methane concentration measurements from ice cores with near-infrared cavity ring-down spectroscopy

    NASA Astrophysics Data System (ADS)

    Stowasser, Christopher; Blunier, Thomas; Gkinis, Vasileios; Popp, Trevor; Kettner, Ernesto

    2010-05-01

    The analysis of gases and chemical impurities trapped in ice provides knowledge of earth's past climate. Deep ice cores from Greenland act as climate archives with high temporal resolution for more than the last 100,000 years covering Holocene, last glacial period and part of the previous interglacial called Eemian. Traditionally methane concentrations from ice cores are measured by gas chromatography. This technique is time consuming, labor intensive and generally not field deployable. Here we present results from the first laboratory and field tests of a new method for measuring methane concentrations from deep ice cores with high temporal resolution using a commercially available but slightly modified near-infrared cavity ring-down spectrometer (NIR-CRDS; http://www.picarro.com/). The NIR-CRDS is connected to a Continuous Flow Analysis (CFA) system, where air bubbles are continuously extracted from the melted ice water stream with the help of a hydrophobic membrane. The extracted gases are forwarded into the NIR-CRDS where the methane concentration is measured every 4 to 5 seconds. As the sample is diluted with helium during the extraction process an oxygen sensor is built into the NIR-CRDS. The continuous extraction of air and the high measurement frequency yield an extremely high temporal resolution, thus better exploiting the temporal resolution available from ice cores. At a typical CFA melt rate of 35 mm/min we obtain concentration measurements approximately every 3 mm of ice. The system is robust, compact and therefore suited for field measurements in combination with a continuous melting device. It was tested on the Greenland ice sheet during the 2009 field season of the North Greenland Eemian Ice Drilling (NEEM) project coupled to the University of Bern CFA system and under laboratory conditions with NGRIP ice coupled to the Copenhagen CFA system. The precision of the measurements of the first field season is encouraging but does not match the precision

  10. Angle-resolved photoemission spectroscopy with 9-eV photon-energy pulses generated in a gas-filled hollow-core photonic crystal fiber

    SciTech Connect

    Bromberger, H. Liu, H.; Chávez-Cervantes, M.; Gierz, I.; Ermolov, A.; Belli, F.; Abdolvand, A.; Russell, P. St. J.; Travers, J. C.; Calegari, F.; Li, M. T.; Lin, C. T.; Cavalleri, A.

    2015-08-31

    A recently developed source of ultraviolet radiation, based on optical soliton propagation in a gas-filled hollow-core photonic crystal fiber, is applied here to angle-resolved photoemission spectroscopy (ARPES). Near-infrared femtosecond pulses of only few μJ energy generate vacuum ultraviolet radiation between 5.5 and 9 eV inside the gas-filled fiber. These pulses are used to measure the band structure of the topological insulator Bi{sub 2}Se{sub 3} with a signal to noise ratio comparable to that obtained with high order harmonics from a gas jet. The two-order-of-magnitude gain in efficiency promises time-resolved ARPES measurements at repetition rates of hundreds of kHz or even MHz, with photon energies that cover the first Brillouin zone of most materials.

  11. Identification of a Single Light Atom within a Multinuclear Metal Cluster using Valence-to-Core X-Ray Emission Spectroscopy

    PubMed Central

    Delgado-Jaime, Mario Ulises; Dible, Benjamin R.; Chiang, Karen P.; Brennessel, William W.; Bergmann, Uwe; Holland, Patrick L.

    2011-01-01

    Iron valence-to-core Fe Kβ x-ray emission spectroscopy (V2C XES) is established as a means to identify light atoms (C. N, O) within complex multimetallic frameworks. The ability to distinguish light atoms, particularly in the presence of heavier atoms, is a well-known limitation of both crystallography and EXAFS. Using the sensitivity of V2C XES to the ionization potential of the bound ligand energetic shifts of ~10 eV in the ligand 2s ionization energies of bound C, N and O may be observed. As V2C XES is a high-energy X-ray method, it is readily applicable to samples in any physical form. This method thus has great potential for application to multimetallic inorganic frameworks involved in both small molecule storage and activation. PMID:21954894

  12. Variation of Exciton-Vibrational Coupling in Photosystem II Core Complexes from Thermosynechococcus elongatus As Revealed by Single-Molecule Spectroscopy

    PubMed Central

    2015-01-01

    The spectral properties and dynamics of the fluorescence emission of photosystem II core complexes are investigated by single-molecule spectroscopy at 1.6 K. The emission spectra are dominated by sharp zero-phonon lines (ZPLs). The sharp ZPLs are the result of weak to intermediate exciton-vibrational coupling and slow spectral diffusion. For several data sets, it is possible to surpass the effect of spectral diffusion by applying a shifting algorithm. The increased signal-to-noise ratio enables us to determine the exciton-vibrational coupling strength (Huang–Rhys factor) with high precision. The Huang–Rhys factors vary between 0.03 and 0.8. The values of the Huang–Rhys factors show no obvious correlation between coupling strength and wavelength position. From this result, we conclude that electrostatic rather than exchange or dispersive interactions are the main contributors to the exciton-vibrational coupling in this system. PMID:25708355

  13. Angle-resolved photoemission spectroscopy with 9-eV photon-energy pulses generated in a gas-filled hollow-core photonic crystal fiber

    NASA Astrophysics Data System (ADS)

    Bromberger, H.; Ermolov, A.; Belli, F.; Liu, H.; Calegari, F.; Chávez-Cervantes, M.; Li, M. T.; Lin, C. T.; Abdolvand, A.; Russell, P. St. J.; Cavalleri, A.; Travers, J. C.; Gierz, I.

    2015-08-01

    A recently developed source of ultraviolet radiation, based on optical soliton propagation in a gas-filled hollow-core photonic crystal fiber, is applied here to angle-resolved photoemission spectroscopy (ARPES). Near-infrared femtosecond pulses of only few μJ energy generate vacuum ultraviolet radiation between 5.5 and 9 eV inside the gas-filled fiber. These pulses are used to measure the band structure of the topological insulator Bi2Se3 with a signal to noise ratio comparable to that obtained with high order harmonics from a gas jet. The two-order-of-magnitude gain in efficiency promises time-resolved ARPES measurements at repetition rates of hundreds of kHz or even MHz, with photon energies that cover the first Brillouin zone of most materials.

  14. Ethanol reassimilation and ethanol tolerance in Pitchia stipitis CBS 6054 as studied by [sup 13]C nuclear magnetic resonance spectroscopy

    SciTech Connect

    Skoog, K.; Hahn-Haegerdal, B. ); Degn, H.; Jacobsen, H.S.; Jacobsen, J.P. )

    1992-08-01

    Ethanol reassimilation in Pichia stipitis CBS 6054 was studied by using continuous cultures, and the oxidation of [1-[sup 13]C] ethanol was monitored by in vivo and in vitro [sup 13]C nuclear magnetic resonance spectroscopy. Acetate was formed when ethanol was reassimilated. The ATP/ADP ratio and the carbon dioxide production decreased, whereas the malate dehydrogenase activity increased, in ethanol-reassimilating cells. The results are discussed in terms of the low ethanol tolerance in P. stipitis compared with that in Saccharomyces cerevisiae.

  15. Hydration effect on solid DNA-didecyldimethylammonium chloride complexes measured using 1H-nuclear magnetic resonance spectroscopy

    NASA Astrophysics Data System (ADS)

    Nizioł, J.; Harańczyk, H.; Kobierski, J.; Hebda, E.; Pielichowski, J.; Ostachowicz, B.

    2013-10-01

    Complexes like the studied DNA and didecyldimethylammonium chloride are promising materials for organic electronics and photonics. Water content in this material as the solid state is a key factor for its electronics properties and microstructure. DNA complex was subjected to controlled hydration from gaseous phase and next studied by 1H-nuclear magnetic resonance spectroscopy. Variations of spin-spin and spin-lattice relaxation times as a function of hydration level are reported. Formation of tightly and loosely bound water fractions at rehydration process is discussed.

  16. Direct observation of an isomeric state in 98Rb and nuclear properties of exotic rubidium isotopes measured by laser spectroscopy

    NASA Astrophysics Data System (ADS)

    Procter, T. J.; Behr, J. A.; Billowes, J.; Buchinger, F.; Cheal, B.; Crawford, J. E.; Dilling, J.; Garnsworthy, A. B.; Leary, A.; Levy, C. D. P.; Mané, E.; Pearson, M. R.; Shelbaya, O.; Stolz, M.; Al Tamimi, W.; Voss, A.

    2015-02-01

    Fast-beam collinear laser spectroscopy experiments on rubidium have been performed at the ISAC radioactive ion beam facility at TRIUMF. Most recently, the neutron-rich 98Rb isotope has been studied for the investigation of shape coexistence. Two long-lived nuclear states in 98Rb have been clearly observed for the first time: a low-spin state, assigned a spin of I = 0, and a high-spin state. The high-spin state is tentatively assigned a spin of I = 3 based on this analysis in combination with gamma decay results. The measured nuclear properties of the two states are presented, alongside unpublished values of the neutron-deficient isotopes investigated previously. The mean-square charge radii of both states in 98Rb are observed to continue along the isodeformation line present after the N = 60 onset of deformation.

  17. Direct containment heating experiments in Zion Nuclear Power Plant Geometry using prototypic core materials, the U2 test

    SciTech Connect

    Binder, J.L.; McUmber, L.M.; Spencer, B.W.

    1993-05-01

    A third Direct Containment Heating (DCH) experiments has been completed which utilizes prototypic core materials. The reactor material tests are a follow on to the Integral Effects Testing (IET) DCH program. The IET series of tests primarily addressed the effect of scale on DCH phenomena. This was accomplished by completing a series of counterpart tests in 1/40 and 1/10th linear scale DCH facilities at Argonne National Laboratory (ANL) and Sandia National Laboratories (SNL), respectively. The IET experiments modeled the Zion Nuclear Power Plant Geometry. The scale models included representations of the primary system volume, RPV lower head, cavity and instrument tunnel, and the lower containment structures. The experiments were steam driven at nominally 6.2 MPa. Iron-alumina thermite with chromium was used as a core melt simulant in the IET experiments. While the IET experiments at ANL and SNL provided useful data on the effect of scale on DCH phenomena, a significant question concerns the potential experiment distortions introduced by the use of non-prototypic iron/alumina thermite. Therefore, further testing with prototypic materials has been carried out at ANL. A prototypic core melt was produced for the experiment by first mixing powders of uranium, zirconium, iron oxide (Fe{sub 2}O{sub 3}), and chromium trioxide (CrO{sub 3}). When ignited the powders react exothermically to produce a molten mixture. The amounts of each powder were selected to produce the anticipated composition for a core melt following a station blackout: 57.8 mass% UO{sub 2} 10.5 mass% ZrO{sub 2} 14.3 mass% Fe, 13.7 mass% Zr, and 3.7 mass% Cr. Development tests measured the initial melt temperature to be in the range of 2600 - 2700 K. The total thermal specific energy content of the melt at 2700 K is 1.2 MJ/kg compared to 2.25 MJ/kg for the iron-alumina simulant at its measured initial temperature of 2500 K.

  18. Plasmonic Coupling via Au@stimuli-responsive polymer Hybrid Core@shell Nanoparticles Monitored by Surface Plasmon Resonance Spectroscopy

    NASA Astrophysics Data System (ADS)

    Lee, Ji-Eun; Chung, Kyungwha; Kim, Dong Ha

    2013-03-01

    Noble metal nanostructures with responsive polymers can be used to probe unique plasmonic properties associated with swelling-shrinking transitions in polymer chains triggered by a specific external stimulus. The phase transition causes changes in the refractive index in the vicinity of the particle surface and induces concurrent changes in the characteristic inter-particle distance. We designed a plasmonic-coupling-based sensing device consisting of Au nanoparticles separated from the Au substrate in Kretschmann configuration SPR spectroscopy through a thermo-responsive polymer linker layer. Concretely, Au NPs having stimuli-responsive polymer chains tethered to the Au surface were first fabricated through SI-ATRP. The optical properties of these stimuli-responsive devices were investigated by both in-situ and static SPR analysis. Also, we demonstrate that bimetallic nanostructures containing another type of metal NP at the stimuli-responsive polymer periphery exhibit a controlled optical sensing property based on LSPR coupling phenomenon.

  19. Layer-dependent Debye temperature and thermal expansion of Ru(0001) by means of high-energy resolution core-level photoelectron spectroscopy

    SciTech Connect

    Ferrari, Eugenio; Galli, Lorenzo; Miniussi, Elisa; Morri, Maurizio; Panighel, Mirko; Ricci, Maria; Lacovig, Paolo; Lizzit, Silvano; Baraldi, Alessandro

    2010-11-15

    The layer-dependent Debye temperature of Ru(0001) is determined by means of high-energy resolution core-level photoelectron spectroscopy measurements. The possibility to disentangle three different components in the Ru 3d{sub 5/2} spectrum of Ru(0001), originating from bulk, first-, and second-layer atoms, allowed us to follow the temperature evolution of their photoemission line shapes and binding energies. Temperature effects were detected, namely, a lattice thermal expansion and a layer-dependent phonon broadening, which was interpreted within the framework of the Hedin-Rosengren formalism based on the Debye theory. The resulting Debye temperature of the top-layer atoms is 295{+-}10 K, lower than that of the bulk (T=668{+-}5 K) and second-layer (T=445{+-}10 K) atoms. While these results are in agreement with the expected phonon softening at the surface, we show that a purely harmonic description of the motion of the surface atoms is not valid, since anharmonic effects contribute significantly to the position and line shape of the different core-level components.

  20. Investigation into the heterostructure interface of CdSe-based core-shell quantum dots using surface-enhanced Raman spectroscopy.

    PubMed

    Todescato, Francesco; Minotto, Alessandro; Signorini, Raffaella; Jasieniak, Jacek J; Bozio, Renato

    2013-08-27

    The structural nature of heterointerfaces in core-shell semiconductor quantum dots (QDs) plays a crucial role in tailoring their optical properties. In this work we have focused on using surface-enhanced Raman spectroscopy as a nondestructive tool to investigate the structural evolution of such interfaces in CdSe/CdS and CdSe/Cd0.5Zn0.5S colloidal QDs. A comparison between the two systems shows significant structural variation across the core-shell interfaces for the two different materials: a smooth interface for the former and an abrupt interface for the latter. This structural difference modifies the electronic structure within the QDs, which directly dictates the confinement behavior of the electrons and holes. The implications of this translate to a better understanding of why graded CdSe/CdS/Cd0.5Zn0.5S/ZnS QDs are so lucrative for linear and nonlinear fluorescence-based applications. PMID:23829320

  1. United States Department of Energy`s reactor core protection evaluation methodology for fires at RBMK and VVER nuclear power plants. Revision 1

    SciTech Connect

    1997-06-01

    This document provides operators of Soviet-designed RBMK (graphite moderated light water boiling water reactor) and VVER (pressurized light water reactor) nuclear power plants with a systematic Methodology to qualitatively evaluate plant response to fires and to identify remedies to protect the reactor core from fire-initiated damage.

  2. Temperature oscillations near natural nuclear reactor cores and the potential for prebiotic oligomer synthesis

    NASA Astrophysics Data System (ADS)

    Adam, Zachary R.

    2016-06-01

    Geologic settings capable of driving prebiotic oligomer synthesis reactions remain a relatively unexplored aspect of origins of life research. Natural nuclear reactors are an example of Precambrian energy sources that produced unique temperature fluctuations. Heat transfer models indicate that water-moderated, convectively-cooled natural fission reactors in porous host rocks create temperature oscillations that resemble those employed in polymerase chain reaction (PCR) devices to artificially amplify oligonucleotides. This temperature profile is characterized by short-duration pulses up to 70-100 °C, followed by a sustained period of temperatures in the range of 30-70 °C, and finally a period of relaxation to ambient temperatures until the cycle is restarted by a fresh influx of pore water. For a given reactor configuration, temperature maxima and the time required to relax to ambient temperatures depend most strongly on the aggregate effect of host rock permeability in decreasing the thermal expansion and increasing the viscosity and evaporation temperature of the pore fluids. Once formed, fission-fueled reactors can sustain multi-kilowatt-level power production for 105-106 years, ensuring microenvironmental longevity and chemical output. The model outputs indicate that organic synthesis on young planetary bodies with a sizeable reservoir of fissile material can involve more sophisticated energy dissipation pathways than modern terrestrial analog settings alone would suggest.

  3. Temperature oscillations near natural nuclear reactor cores and the potential for prebiotic oligomer synthesis.

    PubMed

    Adam, Zachary R

    2016-06-01

    Geologic settings capable of driving prebiotic oligomer synthesis reactions remain a relatively unexplored aspect of origins of life research. Natural nuclear reactors are an example of Precambrian energy sources that produced unique temperature fluctuations. Heat transfer models indicate that water-moderated, convectively-cooled natural fission reactors in porous host rocks create temperature oscillations that resemble those employed in polymerase chain reaction (PCR) devices to artificially amplify oligonucleotides. This temperature profile is characterized by short-duration pulses up to 70-100 °C, followed by a sustained period of temperatures in the range of 30-70 °C, and finally a period of relaxation to ambient temperatures until the cycle is restarted by a fresh influx of pore water. For a given reactor configuration, temperature maxima and the time required to relax to ambient temperatures depend most strongly on the aggregate effect of host rock permeability in decreasing the thermal expansion and increasing the viscosity and evaporation temperature of the pore fluids. Once formed, fission-fueled reactors can sustain multi-kilowatt-level power production for 10(5)-10(6) years, ensuring microenvironmental longevity and chemical output. The model outputs indicate that organic synthesis on young planetary bodies with a sizeable reservoir of fissile material can involve more sophisticated energy dissipation pathways than modern terrestrial analog settings alone would suggest. PMID:26680444

  4. Spatial location of indomethacin associated with unimeric amphiphilic carrier macromolecules as determined by nuclear magnetic resonance spectroscopy.

    PubMed

    Orban, David E; Moretti, Alysha; Uhrich, Kathryn E

    2016-07-01

    A combination of nuclear magnetic resonance (NMR) techniques including, proton NMR, relaxation analysis, two-dimensional nuclear Overhauser effect spectroscopy, and diffusion-ordered spectroscopy, has been used to demonstrate the spatial location of indomethacin within a unimolecular micelle. Understanding the location of drugs within carrier molecules using such NMR techniques can facilitate rational carrier design. In addition, this information provides insight to encapsulation efficiency of different drugs to determine the most efficient system for a particular bioactive. This study demonstrates that drugs loaded by the unimolecular amphiphile under investigation are not necessarily encapsulated but reside or localize to the periphery or interfacial region of the carrier molecule. The results have further implications as to the features of the unimolecular carrier that contribute to drug loading. In addition, evidence of drug retention associated with the unimolecular surfactant is possible in organic media, as well as in an aqueous environment. Such findings have implications for rational carrier design to correlate the carrier features to the drug of interest and indicate the strong retention capabilities of the unimolecular micelle for delivery applications. Copyright © 2016 John Wiley & Sons, Ltd. PMID:26864907

  5. The prediction of the nuclear quadrupole splitting of 119Sn Mössbauer spectroscopy data by scalar relativistic DFT calculations.

    PubMed

    Krogh, Jesper W; Barone, Giampaolo; Lindh, Roland

    2006-06-23

    The electric field gradient components for the tin nucleus of 34 tin compounds of experimentally known structures and (119)Sn Mössbauer spectroscopy parameters were computed at the scalar relativistic density functional theory level of approximation. The theoretical values of the electric field gradient components were used to determine a quantity, V, which is proportional to the nuclear quadrupole splitting parameter (DeltaE). In a subsequent linear regression analysis the effective nuclear quadrupole moment, Q, was evaluated. The value of (11.9+/-0.1) fm(2) is a significant improvement over the non-relativistic result of (15.2+/-4.4) fm(2) and is in agreement with the experimental value of (10.9+/-0.8) fm(2). The average mean square error DeltaE(calcd)-DeltaE(exptl)=+/-0.3 mm s(-1) is a factor of two smaller than in the non-relativistic case. Thus, the approach has a quality which provides accurate support for the structure interpretation by (119)Sn spectroscopy. It was noted that geometry optimization at the relativistic level does not significantly increase the quality of the results compared with non-relativistic optimized structures. The accuracy in the approach called on us to consider the singlet-triplet state nature of the electronic structure of one of the investigated compounds. PMID:16671047

  6. Nuclear Magnetic Resonance (NMR) Spectroscopy For Metabolic Profiling of Medicinal Plants and Their Products.

    PubMed

    Kumar, Dinesh

    2016-09-01

    NMR spectroscopy has multidisciplinary applications, including excellent impact in metabolomics. The analytical capacity of NMR spectroscopy provides information for easy qualitative and quantitative assessment of both endogenous and exogenous metabolites present in biological samples. The complexity of a particular metabolite and its contribution in a biological system are critically important for understanding the functional state that governs the organism's phenotypes. This review covers historical aspects of developments in the NMR field, its applications in chemical profiling, metabolomics, and quality control of plants and their derived medicines, foods, and other products. The bottlenecks of NMR in metabolic profiling are also discussed, keeping in view the future scope and further technological interventions. PMID:26575437

  7. Combined electron microscopy and vibrational spectroscopy study of corroded Magnox sludge from a legacy spent nuclear fuel storage pond

    NASA Astrophysics Data System (ADS)

    Gregson, Colin R.; Goddard, David T.; Sarsfield, Mark J.; Taylor, Robin J.

    2011-05-01

    Samples of filtered particulates and sludges, formed from corroding magnesium alloy clad uranium metal ("Magnox") fuel elements, collected from one of the legacy nuclear fuel storage ponds located at Sellafield (UK) were investigated by Environmental Scanning Electron Microscopy with Energy Dispersive X-Ray analysis (ESEM/EDX), micro-Raman spectroscopy and Fourier transform infra-red spectroscopy (FT-IR). ESEM imaging confirmed the dominant morphology to be clusters of interlocking platelets typical of brucite (Mg(OH) 2). EDX analysis was suggestive of some conversion to the related phase, hydrotalcite (Mg 6Al 2(CO 3)(OH) 16·4H 2O), due to elevated levels of Al associated with Mg. Other apparent morphologies were less commonly observed including flaky sheets, consistent with earlier stages of Magnox alloy corrosion. In a few specific cases, rods were also observed suggestive of some conversion to Mg-hydroxycarbonate phases. Discrete phases rich in U were also identified. Fluorescence in the Raman spectroscopy also indicated surface coatings of organic macromolecules and iron sulphide on hematite containing particles, attributed to microbial activity within the open air pond. Some specific differences in the solid phases between pond areas with differing conditions were apparent.

  8. A novel non-linear recursive filter design for extracting high rate pulse features in nuclear medicine imaging and spectroscopy.

    PubMed

    Sajedi, Salar; Kamal Asl, Alireza; Ay, Mohammad R; Farahani, Mohammad H; Rahmim, Arman

    2013-06-01

    Applications in imaging and spectroscopy rely on pulse processing methods for appropriate data generation. Often, the particular method utilized does not highly impact data quality, whereas in some scenarios, such as in the presence of high count rates or high frequency pulses, this issue merits extra consideration. In the present study, a new approach for pulse processing in nuclear medicine imaging and spectroscopy is introduced and evaluated. The new non-linear recursive filter (NLRF) performs nonlinear processing of the input signal and extracts the main pulse characteristics, having the powerful ability to recover pulses that would ordinarily result in pulse pile-up. The filter design defines sampling frequencies lower than the Nyquist frequency. In the literature, for systems involving NaI(Tl) detectors and photomultiplier tubes (PMTs), with a signal bandwidth considered as 15 MHz, the sampling frequency should be at least 30 MHz (the Nyquist rate), whereas in the present work, a sampling rate of 3.3 MHz was shown to yield very promising results. This was obtained by exploiting the known shape feature instead of utilizing a general sampling algorithm. The simulation and experimental results show that the proposed filter enhances count rates in spectroscopy. With this filter, the system behaves almost identically as a general pulse detection system with a dead time considerably reduced to the new sampling time (300 ns). Furthermore, because of its unique feature for determining exact event times, the method could prove very useful in time-of-flight PET imaging. PMID:22964063

  9. Germanium detectors for nuclear spectroscopy: Current research and development activity at LNL

    NASA Astrophysics Data System (ADS)

    Napoli, D. R.; Maggioni, G.; Carturan, S.; Eberth, J.; Gelain, M.; Grimaldi, M. G.; Tatí, S.; Riccetto, S.; Mea, G. Della

    2016-07-01

    High-purity Germanium (HPGe) detectors have reached an unprecedented level of sophistication and are still the best solution for high-resolution gamma spectroscopy. In the present work, we will show the results of the characterization of new surface treatments for the production of these detectors, studied in the framework of our multidisciplinary research program in HPGe detector technologies.

  10. Neutron irradiation damage of nuclear graphite studied by high-resolution transmission electron microscopy and Raman spectroscopy

    NASA Astrophysics Data System (ADS)

    Krishna, R.; Jones, A. N.; McDermott, L.; Marsden, B. J.

    2015-12-01

    Nuclear graphite components are produced from polycrystalline artificial graphite manufacture from a binder and filler coke with approximately 20% porosity. During the operational lifetime, nuclear graphite moderator components are subjected to fast neutron irradiation which contributes to the change of material and physical properties such as thermal expansion co-efficient, young's modulus and dimensional change. These changes are directly driven by irradiation-induced changes to the crystal structure as reflected through the bulk microstructure. It is therefore of critical importance that these irradiation changes and there implication on component property changes are fully understood. This work examines a range of irradiated graphite samples removed from the British Experimental Pile Zero (BEPO) reactor; a low temperature, low fluence, air-cooled Materials Test Reactor which operated in the UK. Raman spectroscopy and high-resolution transmission electron microscopy (HRTEM) have been employed to characterise the effect of increased irradiation fluence on graphite microstructure and understand low temperature irradiation damage processes. HRTEM confirms the structural damage of the crystal lattice caused by irradiation attributed to a high number of defects generation with the accumulation of dislocation interactions at nano-scale range. Irradiation-induced crystal defects, lattice parameters and crystallite size compared to virgin nuclear graphite are characterised using selected area diffraction (SAD) patterns in TEM and Raman Spectroscopy. The consolidated 'D'peak in the Raman spectra confirms the formation of in-plane point defects and reflected as disordered regions in the lattice. The reduced intensity and broadened peaks of 'G' and 'D' in the Raman and HRTEM results confirm the appearance of turbulence and disordering of the basal planes whilst maintaining their coherent layered graphite structure.

  11. High-resolution Inductively Coupled Plasma--Atomic Emission Spectroscopy applied to problems in Nuclear Waste Management

    SciTech Connect

    Edelson, M.C.; Winge, R.K.; Eckels, D.E. ); Douglas, J.G. )

    1990-01-01

    High-resolution Inductively Coupled Plasma-Atomic Emission Spectroscopy (ICP-AES) is a variant of the more conventional ICP-AES that is widely used for environmental monitoring. The relevance of high-resolution capabilities of three such analytical problems are discussed herein. (1) Pu in very complex, radioactive matrices can be determined with good accuracy without the need for prior chemical separations. Isotopically resolved spectra from actinides in fuel dissolver solutions can be obtained after a simple ion-exchange step. (2) High-resolution methods permit the simultaneous determination of fission products and actinides in simulated high-level nuclear waste solutions. Such measurements can be useful for both safeguards and waste processing. (3) The ICP-AES technique, with a photodiode array detector, can be used to determine the composition of nuclear waste glasses. Such measurements can assist the glass producer as well as providing predictors of nuclear waste form performance in a repository. 16 refs., 5 figs., 4 tabs.

  12. Active in-core irradiation of SiC JFETs at 300 C in a TRIGA nuclear reactor

    SciTech Connect

    McGarrity, J.; Scozzie, C.; Blackburn, J.; DeLancey, M.

    1996-12-31

    In this paper the authors demonstrate that SiC transistors have the potential to operate in the severe high temperature and radiation environments of commercial and space nuclear power sources. 6H-SiC FETs were exposed to neutron fluxes and gamma dose rates as high as 1.6 {times} 10{sup 12} n/cm{sup 2}/sec and 3.8 {times} 10{sup 4} rad(Si)/sec while they were maintained under bias at both 300 C and room temperature within the core of a TRIGA reactor operated at 200 kW power level. The radiation exposure was continuous and the bias on the devices was interrupted only to record the current-voltage characteristics at various accumulated neutron fluences from 10{sup 13} to 5 {times} 10{sup 15} n/cm{sup 2}. No significant degradation in the device characteristics was observed until the total neutron fluence exceeded 10{sup 15} n/cm{sup 2} for irradiation at 25 C, and no significant changes were observed even at 5 {times} 10{sup 15} n/cm{sup 2} at 300 C.

  13. On the Sensitivity of X-ray Core Spectroscopy to Changes in Metal Ligation: A Systematic Study of Low-Coordinate High-Spin Ferrous Complexes

    PubMed Central

    Chandrasekaran, P.; Chiang, Karen P.; Nordlund, Dennis; Bergmann, Uwe; Holland, Patrick L.; DeBeer, Serena

    2014-01-01

    In order to assess the sensitivity and complementarity of X-ray absorption and emission spectroscopies for determining changes in the metal ligation sphere, a systematic experimental and theoretical study of iron model complexes has been carried out. A series of high-spin ferrous complexes, in which the ligation sphere has been varied from a three coordinate complex, [LtBuFe(SPh)] (1) (where, LtBu = bulky β-diketiminate ligand; SPh = Phenyl thiolate) to four-coordinate complexes [LtBuFe(SPh)(X)], (where, X = CNtBu (2); 1-Methylimidazole (3); or N,N-dimethylformamide (DMF) (4)), has been investigated using a combination of Fe K-edge X-ray absorption (XAS) and Kβ X-ray emission (XES) spectroscopies. The Fe K XAS pre-edge and edge of all four complexes are consistent with a high-spin ferrous assignment, with the largest differences in the pre-edge intensities attributed to changes in covalency of the fourth coordination site. The X-ray emission spectra show pronounced changes in the valence to core region (V2C) as the identity of the coordinated ligand is varied. The experimental results have been correlated to DFT calculations, to understand key molecular orbital contributions to the observed absorption and emission features. The calculations also have been extended to a series of hypothetical high-spin iron complexes to understand the sensitivity of XAS and XES techniques to different ligand protonation states ([LtBuFeII(SPh)(NHn)]3-n (n = 3, 2, 1, 0)), metal oxidation states [LtBuFe(SPh)(N)]n- (n = 3, 2, 1), and changes in the ligand identity [LtBuFeIV(SPh)(X)]n- (X = C4-, N3-, O2-; n = 2, 1, 0). This study demonstrates that XAS pre-edge data have greater sensitivity to changes in oxidation state, while valence to core (V2C) XES data provide a more sensitive probe of ligand identity and protonation state. The combination of multiple X-ray spectroscopic methods with DFT results thus has the potential to provide for detailed characterization of complex inorganic

  14. Continuous-time core-level photon-stimulated desorption spectroscopy for monitoring soft x-ray-induced reactions of molecules adsorbed on a single-crystal surface

    SciTech Connect

    Chou, L.-C.; Wen, C.-R.

    2006-05-15

    Continuous-time core-level photon-stimulated desorption (PSD) spectroscopy was proposed for monitoring the soft x-ray-induced reactions of molecules adsorbed on a single-crystal surface. Monochromatic synchrotron radiation was used as a soft x-ray light source in the photon-induced reactions of CF{sub 3}Cl adsorbed on a Si(111)-7x7 surface at 30 K and also as a probe for studying the produced fluorination states of the bonding surface Si atom in the positive-ion PSD spectroscopy. The F{sup +} PSD spectrum was obtained by monitoring the F{sup +} signal as a function of incident photon energy near the Si(2p) edge (98-110 eV). Sequential F{sup +} PSD spectra were measured as a function of photon exposure at four adsorbate coverages (the first dose=0.3x10{sup 15} molecules/cm{sup 2}, the second dose=0.8x10{sup 15} molecules/cm{sup 2}, the third dose=2.2x10{sup 15} molecules/cm{sup 2}, and the fourth dose=3.2x10{sup 15} molecules/cm{sup 2}). For the first and second CF{sub 3}Cl-dosed surfaces, the sequential F{sup +} PSD spectra show the variation of their shapes with photon exposure and indicate the formation of surface SiF species. The sequential F{sup +} PSD spectra for the third and fourth CF{sub 3}Cl-dosed surfaces also show the variation of their shapes with photon exposure and depict the production of surface SiF and SiF{sub 3} species.

  15. Generation IV nuclear energy system initiative. Large GFR core subassemblydesign for the Gas-Cooled Fast Reactor.

    SciTech Connect

    Hoffman, E. A.; Kulak, R. F.; Therios, I. U.; Wei, T. Y. C.

    2006-07-31

    Gas-cooled fast reactor (GFR) designs are being developed to meet Gen IV goals of sustainability, economics, safety and reliability, and proliferation resistance and physical protection as part of an International Generation IV Nuclear Energy System Research Initiative effort. Different organizations are involved in the development of a variety of GFR design concepts. The current analysis has focused on the evaluation of low-pressure drop, pin-core designs with favorable passive cooling properties. Initial evaluation of the passive cooling safety case for the GFR during depressurized decay heat removal accidents with concurrent loss of electric power have resulted in requirements for a reduction of core power density to the 100 w/cc level and a low core pressure drop of 0.5 bars. Additional design constraints and the implementation of their constraints are evaluated in this study to enhance and passive cooling properties of the reactor. Passive cooling is made easier by a flat radial distribution of the decay heat. One goal of this study was to evaluate the radial power distribution and determine to what extent it can be flattened, since the decay heat is nearly proportional to the fission power at shutdown. In line with this investigation of the radial power profile, an assessment was also made of the control rod configuration. The layout provided a large number of control rod locations with a fixed area provided for control rods. The number of control rods was consistent with other fast reactor designs. The adequacy of the available control rod locations was evaluated. Future studies will be needed to optimize the control rod designs and evaluate the shutdown system. The case for low pressure drop core can be improved by the minimization of pressure drop sources such as the number of required fuel spacers in the subassembly design and by the details of the fuel pin design. The fuel pin design is determined by a number of neutronic, thermal-hydraulic (gas dynamics

  16. Sealed magic angle spinning nuclear magnetic resonance probe and process for spectroscopy of hazardous samples

    DOEpatents

    Cho, Herman M.; Washton, Nancy M.; Mueller, Karl T.; Sears, Jr., Jesse A.; Townsend, Mark R.; Ewing, James R.

    2016-06-14

    A magic-angle-spinning (MAS) nuclear magnetic resonance (NMR) probe is described that includes double containment enclosures configured to seal and contain hazardous samples for analysis. The probe is of a modular design that ensures containment of hazardous samples during sample analysis while preserving spin speeds for superior NMR performance and convenience of operation.

  17. Time-Resolved Photoelectron Spectroscopy of Coupled Nuclear-Electronic Dynamics

    NASA Astrophysics Data System (ADS)

    Falge, M.; Engel, V.; Gräfe, S.

    2013-03-01

    We study the effect of nuclear-electron coupling on time-resolved photo-electron spectra, employing a model system which allows to directly comparing spectra resulting from the adiabatic approximation with those obtained within a non-Born-Oppenheimer description.

  18. Insights on fission products behaviour in nuclear severe accident conditions by X-ray absorption spectroscopy

    NASA Astrophysics Data System (ADS)

    Geiger, E.; Bès, R.; Martin, Ph; Pontillon, Y.; Ducros, G.; Solari, P. L.

    2016-04-01

    Many research programs have been carried out aiming to understand the fission products behaviour during a Nuclear Severe Accident. Most of these programs used highly radioactive irradiated nuclear fuel, which requires complex instrumentation. Moreover, the radioactive character of samples hinders an accurate chemical characterisation. In order to overcome these difficulties, SIMFUEL stand out as an alternative to perform complementary tests. A sample made of UO2 doped with 11 fission products was submitted to an annealing test up to 1973 K in reducing atmosphere. The sample was characterized before and after the annealing test using SEM-EDS and XAS at the MARS beam-line, SOLEIL Synchrotron. It was found that the overall behaviour of several fission products (such as Mo, Ba, Pd and Ru) was similar to that observed experimentally in irradiated fuels and consistent with thermodynamic estimations. The experimental approach presented in this work has allowed obtaining information on chemical phases evolution under nuclear severe accident conditions, that are yet difficult to obtain using irradiated nuclear fuel samples.

  19. Insights on fission products behaviour in nuclear severe accident conditions by X-ray absorption spectroscopy

    NASA Astrophysics Data System (ADS)

    Geiger, E.; Bès, R.; Martin, Ph; Pontillon, Y.; Ducros, G.; Solari, P. L.

    2016-04-01

    Many research programs have been carried out aiming to understand the fission products behaviour during a Nuclear Severe Accident. Most of these programs used highly radioactive irradiated nuclear fuel, which requires complex instrumentation. Moreover, the radioactive character of samples hinders an accurate chemical characterisation. In order to overcome these difficulties, SIMFUEL stand out as an alternative to perform complementary tests. A sample made of UO2 doped with 11 fission products was submitted to an annealing test up to 1973 K in reducing atmosphere. The sample was characterized before and after the annealing test using SEM-EDS and XAS at the MARS beam-line, SOLEIL Synchrotron. It was found that the overall behaviour of several fission products (such as Mo, Ba, Pd and Ru) was similar to that observed experimentally in irradiated fuels and consistent with thermodynamic estimations. The experimental approach presented in this work has allowed obtaining information on chemical phases evolution under nuclear severe accident conditions, that are yet difficult to obtain using irradiated nuclear fuel samples.

  20. Nanocrystalline tin oxide: Possible origin of its weak ferromagnetism deduced from nuclear magnetic resonance and X-ray photoelectron spectroscopies

    NASA Astrophysics Data System (ADS)

    Zhang, Feng; Lian, Yadong; Gu, Min; Yu, Ji; Tang, Tong B.; Sun, Jian; Zhang, Weiyi

    2016-09-01

    Nanocrystalline tin oxide was fabricated, with molar ratio O/Sn determined as 1.40, 1.55, 1.79, 1.92 and 1.96 from X-ray photoelectron spectroscopy. They displayed weak ferromagnetism, the sample with O/Sn = 1.55 showing the maximum saturation magnetization reaching almost 8 ×10-3 emu /g at room temperature. 119Sn nuclear magnetic resonance allowed the deduction, based on four resolved resonance peaks, that their Sn ions had four possible coordination numbers, namely 3, 4, 5 and 6. The relative fraction of 4-coordinated cations was the one found to bear positive linear correlation with saturation magnetization of the sample. It is surmised that magnetism in tin oxide results mainly from 4-coordination Sn ions, of valance about +3, as estimated from the binding energies of their 3d photoelectron emission levels.

  1. Molecular interactions between green tea catechins and cheese fat studied by solid-state nuclear magnetic resonance spectroscopy.

    PubMed

    Rashidinejad, Ali; Birch, Edward J; Hindmarsh, Jason; Everett, David W

    2017-01-15

    Molecular integrations between green tea catechins and milk fat globules in a cheese matrix were investigated using solid-state magic angle spinning nuclear magnetic resonance spectroscopy. Full-fat cheeses were manufactured containing free catechin or free green tea extract (GTE), and liposomal encapsulated catechin or liposomal encapsulated GTE. Molecular mobility of the carbon species in the cheeses was measured by a wide-line separation technique. The (1)H evolution frequency profile of the (13)C peak at 16ppm obtained for the control cheese and cheeses containing encapsulated polyphenols (catechin or GTE) were similar, however, the spectrum was narrower for cheeses containing free polyphenols. Differences in spectral width indicates changes in the molecular mobility of --CH3- or -C-C-PO4- species through hydrophobic and/or cation-π associations between green tea catechins and cheese fat components. However, the similar spectral profile suggests that encapsulation protects cheese fat from interaction with catechins. PMID:27542471

  2. Investigation of the potential of 31-phosphorus nuclear magnetic resonance spectroscopy to predict radiation sensitivity. Doctoral thesis

    SciTech Connect

    Bowser, C.

    1988-01-01

    The ability of in vivo 31-Phosphorus Nuclear Magnetic Resonance (31-PNMR) Spectroscopy to predict radiation sensitivity following both single and fractionated therapy was evaluated in this study. For Radiation Induced Fibrosarcoma (RIF-1) tumors either, in their natural state or treated with the vasodilator, hydralazine, an increase in the ratio of phosphocreatine to inorganic phosphate (PCr/Pi) and tumor pH were shown to be significantly correlated (p < 0.01) with radiation sensitivity to a single dose of 15 Grays (Gy) of radiation. After administration of hydralazine to reduce tumor blood flow or flunarizine to increase tumor blood flow, time dependent changes were observed in the 31-P NMR spectrum. After hydralazine, there was a significant (p < 0.01) decrease in PCr/Pi over time. The opposite pattern was seen for flunarizine i.e., decline in Pi, and an increase tumors was substantially greater (p < 0.05) than that of hydralazine treated tumors.

  3. Tunneling Spectroscopy from Magnetization Evolution in a Tilted Rotating Frame of Nuclear Spins

    NASA Astrophysics Data System (ADS)

    Damyanovich, A.; Peternelj, J.; Pintar, M. M.

    2000-07-01

    The time evolution of the proton Zeeman magnetization in the rotating frame at the magic angle θM = cos-1(1/3) is calculated for an isolated tunneling methyl group and its Fourier transform is given. The calculation compares well with the experimental spectra of CH3CD2I and methylmalonic acid. It is shown that Fourier transform spectroscopy of the magnetization evolution in a tilted RF frame represents an excellent alternative to the analogous experiment performed at exact resonance, resulting in improved resolution and a much better signal-to-noise ratio.

  4. Ligand-Sensitive But Not Ligand-Diagnostic: Evaluating Cr Valence-to-Core X-ray Emission Spectroscopy as a Probe of Inner-Sphere Coordination

    PubMed Central

    2015-01-01

    This paper explores the strengths and limitations of valence-to-core X-ray emission spectroscopy (V2C XES) as a probe of coordination environments. A library was assembled from spectra obtained for 12 diverse Cr complexes and used to calibrate density functional theory (DFT) calculations of V2C XES band energies. A functional dependence study was undertaken to benchmark predictive accuracy. All 7 functionals tested reproduce experimental V2C XES energies with an accuracy of 0.5 eV. Experimentally calibrated, DFT calculated V2C XES spectra of 90 Cr compounds were used to produce a quantitative spectrochemical series showing the V2C XES band energy ranges for ligands comprising 18 distinct classes. Substantial overlaps are detected in these ranges, which complicates the use of V2C XES to identify ligands in the coordination spheres of unknown Cr compounds. The ligand-dependent origins of V2C intensity are explored for a homologous series of [CrIII(NH3)5X]2+ (X = F, Cl, Br, and I) to rationalize the variable intensity contributions of these ligand classes. PMID:25496512

  5. Application of cryoprobe 1H nuclear magnetic resonance spectroscopy and multivariate analysis for the verification of corsican honey.

    PubMed

    Donarski, James A; Jones, Stephen A; Charlton, Adrian J

    2008-07-23

    Proton nuclear magnetic resonance spectroscopy ((1)H NMR) and multivariate analysis techniques have been used to classify honey into two groups by geographical origin. Honey from Corsica (Miel de Corse) was used as an example of a protected designation of origin product. Mathematical models were constructed to determine the feasibility of distinguishing between honey from Corsica and that from other geographical locations in Europe, using (1)H NMR spectroscopy. Honey from 10 different regions within five countries was analyzed. (1)H NMR spectra were used as input variables for projection to latent structures (PLS) followed by linear discriminant analysis (LDA) and genetic programming (GP). Models were generated using three methods, PLS-LDA, two-stage GP, and a combination of PLS and GP (PLS-GP). The PLS-GP model used variables selected by PLS for subsequent GP calculations. All models were generated using Venetian blind cross-validation. Overall classification rates for the discrimination of Corsican and non-Corsican honey of 75.8, 94.5, and 96.2% were determined using PLS-LDA, two-stage GP, and PLS-GP, respectively. The variables utilized by PLS-GP were related to their (1)H NMR chemical shifts, and this led to the identification of trigonelline in honey for the first time. PMID:18564849

  6. Resolving the Role of Plant Glutamate Dehydrogenase. I. in vivo Real Time Nuclear Magnetic Resonance Spectroscopy Experiments

    PubMed Central

    Labboun, Soraya; Tercé-Laforgue, Thérèse; Roscher, Albrecht; Bedu, Magali; Restivo, Francesco M.; Velanis, Christos N.; Skopelitis, Damianos S.; Moshou, Panagiotis N.; Roubelakis-Angelakis, Kalliopi A.; Suzuki, Akira; Hirel, Bertrand

    2009-01-01

    In higher plants the glutamate dehydrogenase (GDH) enzyme catalyzes the reversible amination of 2-oxoglutarate to form glutamate, using ammonium as a substrate. For a better understanding of the physiological function of GDH either in ammonium assimilation or in the supply of 2-oxoglutarate, we used transgenic tobacco (Nicotiana tabacum L.) plants overexpressing the two genes encoding the enzyme. An in vivo real time 15N-nuclear magnetic resonance (NMR) spectroscopy approach allowed the demonstration that, when the two GDH genes were overexpressed individually or simultaneously, the transgenic plant leaves did not synthesize glutamate in the presence of ammonium when glutamine synthetase (GS) was inhibited. In contrast we confirmed that the primary function of GDH is to deaminate Glu. When the two GDH unlabeled substrates ammonium and Glu were provided simultaneously with either [15N]Glu or 15NH4+ respectively, we found that the ammonium released from the deamination of Glu was reassimilated by the enzyme GS, suggesting the occurrence of a futile cycle recycling both ammonium and Glu. Taken together, these results strongly suggest that the GDH enzyme, in conjunction with NADH-GOGAT, contributes to the control of leaf Glu homeostasis, an amino acid that plays a central signaling and metabolic role at the interface of the carbon and nitrogen assimilatory pathways. Thus, in vivo NMR spectroscopy appears to be an attractive technique to follow the flux of metabolites in both normal and genetically modified plants. PMID:19690000

  7. Correlating nuclear frequencies by two-dimensional ELDOR-detected NMR spectroscopy

    NASA Astrophysics Data System (ADS)

    Kaminker, Ilia; Wilson, Tiffany D.; Savelieff, Masha G.; Hovav, Yonatan; Zimmermann, Herbert; Lu, Yi; Goldfarb, Daniella

    2014-03-01

    ELDOR (Electron Double Resonance)-detected NMR (EDNMR) is a pulse EPR experiment that is used to measure the transition frequencies of nuclear spins coupled to electron spins. These frequencies are further used to determine hyperfine and quadrupolar couplings, which are signatures of the electronic and spatial structures of paramagnetic centers. In recent years, EDNMR has been shown to be particularly useful at high fields/high frequencies, such as W-band (∼95 GHz, ∼3.5 T), for low γ quadrupolar nuclei. Although at high fields the nuclear Larmor frequencies are usually well resolved, the limited resolution of EDNMR still remains a major concern. In this work we introduce a two dimensional, triple resonance, correlation experiment based on the EDNMR pulse sequence, which we term 2D-EDNMR. This experiment allows circumventing the resolution limitation by spreading the signals in two dimensions and the observed correlations help in the assignment of the signals. First we demonstrate the utility of the 2D-EDNMR experiment on a nitroxide spin label, where we observe correlations between 14N nuclear frequencies. Negative cross-peaks appear between lines belonging to different MS electron spin manifolds. We resolved two independent correlation patterns for nuclear frequencies arising from the EPR transitions corresponding to the 14N mI = 0 and mI = -1 nuclear spin states, which severely overlap in the one dimensional EDNMR spectrum. The observed correlations could be accounted for by considering changes in the populations of energy levels that S = 1/2, I = 1 spin systems undergo during the pulse sequence. In addition to these negative cross-peaks, positive cross-peaks appear as well. We present a theoretical model based on the Liouville equation and use it to calculate the time evolution of populations of the various energy levels during the 2D-EDNMR experiment and generated simulated 2D-EDMR spectra. These calculations show that the positive cross-peaks appear due

  8. Correlating nuclear frequencies by two-dimensional ELDOR-detected NMR spectroscopy.

    PubMed

    Kaminker, Ilia; Wilson, Tiffany D; Savelieff, Masha G; Hovav, Yonatan; Zimmermann, Herbert; Lu, Yi; Goldfarb, Daniella

    2014-03-01

    ELDOR (Electron Double Resonance)-detected NMR (EDNMR) is a pulse EPR experiment that is used to measure the transition frequencies of nuclear spins coupled to electron spins. These frequencies are further used to determine hyperfine and quadrupolar couplings, which are signatures of the electronic and spatial structures of paramagnetic centers. In recent years, EDNMR has been shown to be particularly useful at high fields/high frequencies, such as W-band (∼95 GHz, ∼3.5 T), for low γ quadrupolar nuclei. Although at high fields the nuclear Larmor frequencies are usually well resolved, the limited resolution of EDNMR still remains a major concern. In this work we introduce a two dimensional, triple resonance, correlation experiment based on the EDNMR pulse sequence, which we term 2D-EDNMR. This experiment allows circumventing the resolution limitation by spreading the signals in two dimensions and the observed correlations help in the assignment of the signals. First we demonstrate the utility of the 2D-EDNMR experiment on a nitroxide spin label, where we observe correlations between (14)N nuclear frequencies. Negative cross-peaks appear between lines belonging to different MS electron spin manifolds. We resolved two independent correlation patterns for nuclear frequencies arising from the EPR transitions corresponding to the (14)N mI=0 and mI=-1 nuclear spin states, which severely overlap in the one dimensional EDNMR spectrum. The observed correlations could be accounted for by considering changes in the populations of energy levels that S=1/2, I=1 spin systems undergo during the pulse sequence. In addition to these negative cross-peaks, positive cross-peaks appear as well. We present a theoretical model based on the Liouville equation and use it to calculate the time evolution of populations of the various energy levels during the 2D-EDNMR experiment and generated simulated 2D-EDMR spectra. These calculations show that the positive cross-peaks appear due to

  9. Observation of terahertz vibrations in Pyrococcus furiosus rubredoxin via impulsive coherent vibrational spectroscopy and nuclear resonance vibrational spectroscopy--interpretation by molecular mechanics.

    PubMed

    Tan, Ming-Liang; Bizzarri, Anna Rita; Xiao, Yuming; Cannistraro, Salvatore; Ichiye, Toshiko; Manzoni, Cristian; Cerullo, Giulio; Adams, Michael W W; Jenney, Francis E; Cramer, Stephen P

    2007-03-01

    We have used impulsive coherent vibrational spectroscopy (ICVS) to study the Fe(S-Cys)(4) site in oxidized rubredoxin (Rd) from Pyrococcus furiosus (Pf). In this experiment, a 15 fs visible laser pulse is used to coherently pump the sample to an excited electronic state, and a second <10 fs pulse is used to probe the change in transmission as a function of the time delay. PfRd was observed to relax to the ground state by a single exponential decay with time constants of approximately 255-275 fs. Superimposed on this relaxation are oscillations caused by coherent excitation of vibrational modes in both excited and ground electronic states. Fourier transformation reveals the frequencies of these modes. The strongest ICV mode with 570 nm excitation is the symmetric Fe-S stretching mode near 310 cm(-1), compared to 313 cm(-1) in the low temperature resonance Raman. If the rubredoxin is pumped at 520 nm, a set of strong bands occurs between 20 and 110 cm(-1). Finally, there is a mode at approximately 500 cm(-1) which is similar to features near 508 cm(-1) in blue Cu proteins that have been attributed to excited state vibrations. Normal mode analysis using 488 protein atoms and 558 waters gave calculated spectra that are in good agreement with previous nuclear resonance vibrational spectra (NRVS) results. The lowest frequency normal modes are identified as collective motions of the entire protein or large segments of polypeptide. Motion in these modes may affect the polar environment of the redox site and thus tune the electron transfer functions in rubredoxins. PMID:17204331

  10. Self-healing capacity of nuclear glass observed by NMR spectroscopy

    PubMed Central

    Charpentier, Thibault; Martel, Laura; Mir, Anamul H.; Somers, Joseph; Jégou, Christophe; Peuget, Sylvain

    2016-01-01

    Safe management of high level nuclear waste is a worldwide significant issue for which vitrification has been selected by many countries. There exists a crucial need for improving our understanding of the ageing of the glass under irradiation. While external irradiation by ions provides a rapid simulation of damage induced by alpha decays, short lived actinide doping is more representative of the reality. Here, we report radiological NMR experiments to compare the damage in International Simplified Glass (ISG) when irradiated by these two methods. In the 0.1 mole percent 244Cm doped glass, accumulation of high alpha decay only shows small modifications of the local structure, in sharp contrast to heavy ion irradiation. These results reveal the ability of the alpha particle to partially repair the damage generated by the heavy recoil nuclei highlighting the radiation resistance of nuclear glass and the difficulty to accurately simulate its behaviour by single ion beam irradiations. PMID:27149700

  11. Self-healing capacity of nuclear glass observed by NMR spectroscopy.

    PubMed

    Charpentier, Thibault; Martel, Laura; Mir, Anamul H; Somers, Joseph; Jégou, Christophe; Peuget, Sylvain

    2016-01-01

    Safe management of high level nuclear waste is a worldwide significant issue for which vitrification has been selected by many countries. There exists a crucial need for improving our understanding of the ageing of the glass under irradiation. While external irradiation by ions provides a rapid simulation of damage induced by alpha decays, short lived actinide doping is more representative of the reality. Here, we report radiological NMR experiments to compare the damage in International Simplified Glass (ISG) when irradiated by these two methods. In the 0.1 mole percent (244)Cm doped glass, accumulation of high alpha decay only shows small modifications of the local structure, in sharp contrast to heavy ion irradiation. These results reveal the ability of the alpha particle to partially repair the damage generated by the heavy recoil nuclei highlighting the radiation resistance of nuclear glass and the difficulty to accurately simulate its behaviour by single ion beam irradiations. PMID:27149700

  12. Electron momentum spectroscopy of aniline taking account of nuclear dynamics in the initial electronic ground state

    NASA Astrophysics Data System (ADS)

    Farasat, M.; Shojaei, S. H. R.; Morini, F.; Golzan, M. M.; Deleuze, M. S.

    2016-04-01

    The electronic structure, electron binding energy spectrum and (e, 2e) momentum distributions of aniline have been theoretically predicted at an electron impact energy of 1.500 keV on the basis of Born-Oppenheimer molecular dynamical simulations, in order to account for thermally induced nuclear motions in the initial electronic ground state. Most computed momentum profiles are rather insensitive to thermally induced alterations of the molecular structure, with the exception of the profiles corresponding to two ionization bands at electron binding energies comprised between ˜10.0 and ˜12.0 eV (band C) and between ˜16.5 and ˜20.0 eV (band G). These profiles are found to be strongly influenced by nuclear dynamics in the electronic ground state, especially in the low momentum region. The obtained results show that thermal averaging smears out most generally the spectral fingerprints that are induced by nitrogen inversion.

  13. Atomic mass measurements and nuclear spectroscopy at TRISTAN. Progress report, July 1, 1980-January 31, 1981

    SciTech Connect

    Brenner, D.S.

    1981-02-01

    This research program is concerned with measuring atomic masses and decay schemes of short-lived, neutron-rich fission products with the TRISTAN on-line mass separator located at the High Flux Beam Reactor (HFBR), Brookhaven National Laboratory. The determination of accurate masses for neutron-rich nuclei is useful in refining mass equations wich, in turn, are important for calculations related to astrophysical processes and to control and safety of nuclear reactors. During the period covered by this report, efforts have been to aid Brookhaven personnel in the installation and testing of TRISTAN and the associated computer systems, and to begin a program of measurements of ..beta..-ray end-point energies and nuclear decay schemes following successful demonstration of the facility. 2 figures.

  14. Self-healing capacity of nuclear glass observed by NMR spectroscopy

    NASA Astrophysics Data System (ADS)

    Charpentier, Thibault; Martel, Laura; Mir, Anamul H.; Somers, Joseph; Jégou, Christophe; Peuget, Sylvain

    2016-05-01

    Safe management of high level nuclear waste is a worldwide significant issue for which vitrification has been selected by many countries. There exists a crucial need for improving our understanding of the ageing of the glass under irradiation. While external irradiation by ions provides a rapid simulation of damage induced by alpha decays, short lived actinide doping is more representative of the reality. Here, we report radiological NMR experiments to compare the damage in International Simplified Glass (ISG) when irradiated by these two methods. In the 0.1 mole percent 244Cm doped glass, accumulation of high alpha decay only shows small modifications of the local structure, in sharp contrast to heavy ion irradiation. These results reveal the ability of the alpha particle to partially repair the damage generated by the heavy recoil nuclei highlighting the radiation resistance of nuclear glass and the difficulty to accurately simulate its behaviour by single ion beam irradiations.

  15. Scale Model Test and Transient Analysis of Steam Injector Driven Passive Core Injection System for Innovative-Simplified Nuclear Power Plant

    NASA Astrophysics Data System (ADS)

    Ohmori, Shuichi; Narabayashi, Tadashi; Mori, Michitsugu

    A steam injector (SI) is a simple, compact and passive pump and also acts as a high-performance direct-contact compact heater. This provides SI with capability to serve also as a direct-contact feed-water heater that heats up feed-water by using extracted steam from turbine. Our technology development aims to significantly simplify equipment and reduce physical quantities by applying "high-efficiency SI", which are applicable to a wide range of operation regimes beyond the performance and applicable range of existing SIs and enables unprecedented multistage and parallel operation, to the low-pressure feed-water heaters and emergency core cooling system of nuclear power plants, as well as achieve high inherent safety to prevent severe accidents by keeping the core covered with water (a severe accident-free concept). This paper describes the results of the scale model test, and the transient analysis of SI-driven passive core injection system (PCIS).

  16. A New Innovative Spherical Cermet Nuclear Fuel Element to Achieve an Ultra-Long Core Life for use in Grid-Appropriate LWRs

    SciTech Connect

    Senor, David J.; Painter, Chad L.; Geelhood, Ken J.; Wootan, David W.; Meriwether, George H.; Cuta, Judith M.; Adkins, Harold E.; Matson, Dean W.; Abrego, Celestino P.

    2007-12-01

    Spherical cermet fuel elements are proposed for use in the Atoms For Peace Reactor (AFPR-100) concept. AFPR-100 is a small-scale, inherently safe, proliferation-resistant reactor that would be ideal for deployment to nations with emerging economies that decide to select nuclear power for the generation of carbon-free electricity. The basic concept of the AFPR core is a water-cooled fixed particle bed, randomly packed with spherical fuel elements. The flow of coolant within the particle bed is at such a low rate that the bed does not fluidize. This report summarizes an approach to fuel fabrication, results associated with fuel performance modeling, core neutronics and thermal hydraulics analyses demonstrating a ~20 year core life, and a conclusion that the proliferation resistance of the AFPR reactor concept is high.

  17. Use of nuclear magnetic resonance (NMR) spectroscopy for the analysis of chemical warfare agents and their degradation products in enviornmental samples

    SciTech Connect

    Szafraniec, L.L.; Beaudry, W.T.

    1995-06-01

    Nuclear magnetic resonance (NMR) spectroscopy is one of the most powerful analytical techniques for elucidating the molecular structure of organic compounds. In environmental samples, the identification and detection of chemical warfare related compounds is best accomplished using high field high resolution NMR. This paper describes the experimental procedures.

  18. Comparison of Phosphorus Forms in Wet and Dried Animal Manures by Solution Phosphorus-31 Nuclear Magnetic Resonance Spectroscopy and Enzymatic Hydrolysis

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Both enzymatic hydrolysis and solution 31P nuclear magnetic resonance (NMR) spectroscopy have been used to characterize P compounds in animal manures. However, no comparison of the two methods has been reported in the literature. In this study, we compared P compounds in dairy and poultry manures i...

  19. Chemical structures of swine-manure chars produced under different carbonization conditions investigated by advanced solid-state 13C nuclear magnetic resonance (NMR) spectroscopy

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Two types of swine manure chars, hydrothermally-produced hydrochar and slow-pyrolysis pyrochar, and their raw swine manure solid were characterized using advanced 13C solid-state nuclear magnetic resonance (NMR) spectroscopy. Compared with the parent raw swine manure, both hydrochars and pyrochar di...

  20. Low energy nuclear spin excitations in Ho metal investigated by high resolution neutron spectroscopy.

    PubMed

    Chatterji, Tapan; Jalarvo, Niina

    2013-04-17

    We have investigated the low energy excitations in metallic Ho by high resolution neutron spectroscopy. We found at T = 3 K clear inelastic peaks in the energy loss and energy gain sides, along with the central elastic peak. The energy of this low energy excitation, which is 26.59 ± 0.02 μeV at T = 3 K, decreased continuously and became zero at TN ≈ 130 K. By fitting the data in the temperature range 100-127.5 K with a power law we obtained the power-law exponent β = 0.37 ± 0.02, which agrees with the expected value β = 0.367 for a three-dimensional Heisenberg model. Thus the energy of the low energy excitations can be associated with the order parameter. PMID:23507905

  1. Nuclear and in-source laser spectroscopy with the ISAC yield station

    SciTech Connect

    Kunz, Peter Bricault, Pierre; Dombsky, Marik; Lassen, Jens; Teigelhöfer, Andrea; Heggen, Henning; Andreoiu, Corina; Wong, Fiona

    2014-05-15

    A new decay station has been built for the ISAC facility at TRIUMF for the rapid and reliable characterization of radioactive ion beam (RIB) compositions and intensities with the capability of simultaneously collecting α, β, and γ decay data from RIB with intensities between a few and ≈10{sup 11} ions per second. It features user-friendly control, data acquisition, and analysis software. The analysis of individual decay time structures allows the unambiguous assignment of α and γ lines even with substantial isobaric contamination present. The capability for accurate half-life measurements is demonstrated with the example of {sup 46}K. The coupling of the yield station to the laser ion source, TRILIS, allows the correlation of radiometric data with automated laser frequency scans. First results of in-source laser spectroscopy measurements on astatine are discussed.

  2. Determination of iodine value of lubricating oils by nuclear magnetic resonance (NMR) spectroscopy

    SciTech Connect

    Sarpal, A.S.; Kapur, G.S.; Mukherjee, S.

    1995-03-01

    A direct, quick and non-destructive method for estimating the iodine value of fats, fatty oils and their blends in mineral oils has been developed based on {sup 1}H and {sup 13}C-NMR spectroscopy. The method involves the determination of unsaturation content of the samples by {sup 1}H and {sup 13}C-NMR spectroscopic techniques. The iodine value of the sample is directly proportional to the unsaturated proton or carbon content. The value of the proportionality constant is independent of the nature of the fats and their blends in mineral oils for the limited samples studied. The iodine value determined by this method also includes the contribution from additives containing unsaturation. Saturated ingredients in the sample do not contribute to the iodine value as is the case with the standard IP-84 method. 5 refs., 3 figs., 4 tabs.

  3. Nuclear and in-source laser spectroscopy with the ISAC yield station.

    PubMed

    Kunz, Peter; Andreoiu, Corina; Bricault, Pierre; Dombsky, Marik; Lassen, Jens; Teigelhöfer, Andrea; Heggen, Henning; Wong, Fiona

    2014-05-01

    A new decay station has been built for the ISAC facility at TRIUMF for the rapid and reliable characterization of radioactive ion beam (RIB) compositions and intensities with the capability of simultaneously collecting α, β, and γ decay data from RIB with intensities between a few and ≈10(11) ions per second. It features user-friendly control, data acquisition, and analysis software. The analysis of individual decay time structures allows the unambiguous assignment of α and γ lines even with substantial isobaric contamination present. The capability for accurate half-life measurements is demonstrated with the example of (46)K. The coupling of the yield station to the laser ion source, TRILIS, allows the correlation of radiometric data with automated laser frequency scans. First results of in-source laser spectroscopy measurements on astatine are discussed. PMID:24880362

  4. Nuclear and in-source laser spectroscopy with the ISAC yield station

    NASA Astrophysics Data System (ADS)

    Kunz, Peter; Andreoiu, Corina; Bricault, Pierre; Dombsky, Marik; Lassen, Jens; Teigelhöfer, Andrea; Heggen, Henning; Wong, Fiona

    2014-05-01

    A new decay station has been built for the ISAC facility at TRIUMF for the rapid and reliable characterization of radioactive ion beam (RIB) compositions and intensities with the capability of simultaneously collecting α, β, and γ decay data from RIB with intensities between a few and ≈1011 ions per second. It features user-friendly control, data acquisition, and analysis software. The analysis of individual decay time structures allows the unambiguous assignment of α and γ lines even with substantial isobaric contamination present. The capability for accurate half-life measurements is demonstrated with the example of 46K. The coupling of the yield station to the laser ion source, TRILIS, allows the correlation of radiometric data with automated laser frequency scans. First results of in-source laser spectroscopy measurements on astatine are discussed.

  5. Hard and elastic amorphous carbon nitride thin films studied by 13C nuclear magnetic resonance spectroscopy

    NASA Astrophysics Data System (ADS)

    Gammon, W. J.; Malyarenko, D. I.; Kraft, O.; Hoatson, G. L.; Reilly, A. C.; Holloway, B. C.

    2002-10-01

    The chemical bonding of hard and elastic amorphous carbon nitride (a-CNx) thin films was examined using solid-state 13C NMR spectroscopy. The films were deposited by DC magnetron sputtering in a pure nitrogen discharge on Si(001) substrates at 300 °C. Nanoindentation tests reveal a recovery of 80%, a hardness of 5 GPa, and an elastic modulus of 47 GPa. This combination of low modulus and high strength means the material can be regarded as hard and elastic; the material gives when pressed on and recovers its shape when the load is released. The 13C NMR results conclusively demonstrate that hard and elastic a-CNx has an sp2 carbon bonded structure and that sp3 hybridized carbons are absent. Our results stand in contrast with earlier work that proposed that the interesting mechanical properties of hard and elastic a-CNx were due, in part, to sp3 bonded carbon.

  6. Ultrafast x-ray-induced nuclear dynamics in diatomic molecules using femtosecond x-ray-pump-x-ray-probe spectroscopy

    NASA Astrophysics Data System (ADS)

    Lehmann, C. S.; Picón, A.; Bostedt, C.; Rudenko, A.; Marinelli, A.; Moonshiram, D.; Osipov, T.; Rolles, D.; Berrah, N.; Bomme, C.; Bucher, M.; Doumy, G.; Erk, B.; Ferguson, K. R.; Gorkhover, T.; Ho, P. J.; Kanter, E. P.; Krässig, B.; Krzywinski, J.; Lutman, A. A.; March, A. M.; Ray, D.; Young, L.; Pratt, S. T.; Southworth, S. H.

    2016-07-01

    The capability of generating two intense, femtosecond x-ray pulses with a controlled time delay opens the possibility of performing time-resolved experiments for x-ray-induced phenomena. We have applied this capability to study the photoinduced dynamics in diatomic molecules. In molecules composed of low-Z elements, K -shell ionization creates a core-hole state in which the main decay mode is an Auger process involving two electrons in the valence shell. After Auger decay, the nuclear wave packets of the transient two-valence-hole states continue evolving on the femtosecond time scale, leading either to separated atomic ions or long-lived quasibound states. By using an x-ray pump and an x-ray probe pulse tuned above the K -shell ionization threshold of the nitrogen molecule, we are able to observe ion dissociation in progress by measuring the time-dependent kinetic energy releases of different breakup channels. We simulated the measurements on N2 with a molecular dynamics model that accounts for K -shell ionization, Auger decay, and the time evolution of the nuclear wave packets. In addition to explaining the time-dependent feature in the measured kinetic energy release distributions from the dissociative states, the simulation also reveals the contributions of quasibound states.

  7. Material degradation of liquid organic semiconductors analyzed by nuclear magnetic resonance spectroscopy

    SciTech Connect

    Fukushima, Tatsuya; Yamamoto, Junichi; Fukuchi, Masashi; Kaji, Hironori; Hirata, Shuzo; Jung, Heo Hyo; Adachi, Chihaya; Hirata, Osamu; Shibano, Yuki

    2015-08-15

    Liquid organic light-emitting diodes (liquid OLEDs) are unique devices consisting only of liquid organic semiconductors in the active layer, and the device performances have been investigated recently. However, the device degradation, especially, the origin has been unknown. In this study, we show that material degradation occurs in liquid OLEDs, whose active layer is composed of carbazole with an ethylene glycol chain. Nuclear magnetic resonance (NMR) experiments clearly exhibit that the dimerization reaction of carbazole moiety occurs in the liquid OLEDs during driving the devices. In contrast, cleavages of the ethylene glycol chain are not detected within experimental error. The dimerization reaction is considered to be related to the device degradation.

  8. Special Features in Application of Nuclear Magnetic Spectroscopy to Study Flows of Liquid Media

    NASA Astrophysics Data System (ADS)

    Davydov, V. V.; Dudkin, V. I.; Karseev, A. Yu.; Vologdin, V. A.

    2016-01-01

    We consider the special features involved in studying flows of liquid media using a nuclear magnetic resonance spectrometer. Taking these special features into account in the design of the NMR spectrometer lets us determine the relative concentrations of paramagnetic ions, and also lets us measure the longitudinal (T1 ) and transverse (T2 ) relaxation times within <0.5% in liquid flows. This lets us completely eliminate errors in determining the state of the flowing medium using the measured relaxation constants T1 and T2, which is especially important when working with medicinal suspensions and biological solutions. We present the results of experimental studies on flows of liquid media.

  9. Probing protein quinary interactions by in-cell nuclear magnetic resonance spectroscopy.

    PubMed

    Majumder, Subhabrata; Xue, Jing; DeMott, Christopher M; Reverdatto, Sergey; Burz, David S; Shekhtman, Alexander

    2015-05-01

    Historically introduced by McConkey to explain the slow mutation rate of highly abundant proteins, weak protein (quinary) interactions are an emergent property of living cells. The protein complexes that result from quinary interactions are transient and thus difficult to study biochemically in vitro. Cross-correlated relaxation-induced polarization transfer-based in-cell nuclear magnetic resonance allows the characterization of protein quinary interactions with atomic resolution inside live prokaryotic and eukaryotic cells. We show that RNAs are an important component of protein quinary interactions. Protein quinary interactions are unique to the target protein and may affect physicochemical properties, protein activity, and interactions with drugs. PMID:25894651

  10. Atomic force microscopy-coupled microcoils for cellular-scale nuclear magnetic resonance spectroscopy

    NASA Astrophysics Data System (ADS)

    Mousoulis, Charilaos; Maleki, Teimour; Ziaie, Babak; Neu, Corey P.

    2013-04-01

    We present the coupling of atomic force microscopy (AFM) and nuclear magnetic resonance (NMR) technologies to enable topographical, mechanical, and chemical profiling of biological samples. Here, we fabricate and perform proof-of-concept testing of radiofrequency planar microcoils on commercial AFM cantilevers. The sensitive region of the coil was estimated to cover an approximate volume of 19.4 × 103 μm3 (19.4 pl). Functionality of the spectroscopic module of the prototype device is illustrated through the detection of 1Η resonance in deionized water. The acquired spectra depict combined NMR capability with AFM that may ultimately enable biophysical and biochemical studies at the single cell level.

  11. Combining Nuclear Magnetic Resonance Spectroscopy and Density Functional Theory Calculations to Characterize Carvedilol Polymorphs.

    PubMed

    Rezende, Carlos A; San Gil, Rosane A S; Borré, Leandro B; Pires, José Ricardo; Vaiss, Viviane S; Resende, Jackson A L C; Leitão, Alexandre A; De Alencastro, Ricardo B; Leal, Katia Z

    2016-09-01

    The experiments of carvedilol form II, form III, and hydrate by (13)C and (15)N cross-polarization magic-angle spinning (CP MAS) are reported. The GIPAW (gauge-including projector-augmented wave) method from DFT (density functional theory) calculations was used to simulate (13)C and (15)N chemical shifts. A very good agreement was found for the comparison between the global results of experimental and calculated nuclear magnetic resonance (NMR) chemical shifts for carvedilol polymorphs. This work aims a comprehensive understanding of carvedilol crystalline forms employing solution and solid-state NMR as well as DFT calculations. PMID:26372719

  12. Developing hyperpolarized krypton-83 for nuclear magnetic resonance spectroscopy and magnetic resonance imaging

    NASA Astrophysics Data System (ADS)

    Cleveland, Zackary I.

    This dissertation discusses the production of highly nonequilibrium nuclear spin polarization, referred to as hyperpolarization or hp, in the nuclear spin I = 9/2 noble gas isotope krypton-83 using spin exchange optical pumping (SEOP). This nonequilibrium polarization yields nuclear magnetic resonance (NMR) signals that are enhanced three or more orders of magnitude above those of thermally polarized krypton and enables experiments that would otherwise be impossible. Krypton-83 possesses a nuclear electric quadrupole moment that dominates the longitudinal (T1) relaxation due to coupling of the quadrupole moment to fluctuating electric field gradients generated by distortions to the spherical symmetry of the electronic environment. Relaxation slows polarization buildup and limits the maximum signal intensity but makes krypton-83 a sensitive probe of its environment. The gas-phase krypton-83 longitudinal relaxation rate increases linearly with total gas density due to binary collisions. Density independent relaxation, caused by the formation of krypton-krypton van der Waals molecules and surface adsorption, also contributes to the observed rate. Buffer gases suppress van der Waals molecule mediated relaxation by breaking apart the weakly bound krypton dimers. Surface relaxation is gas composition independent and therefore more difficult to suppress. However, this relaxation mechanism makes hp krypton-83 sensitive to important surface properties including surface-to-volume ratio, surface chemistry, and surface temperature. The presence of surfaces with high krypton adsorption affinities (i.e. hydrophobic surfaces) accelerates the relaxation times and can produce T1 contrast in hp krypton-83 magnetic resonance imaging (MRI). Tobacco smoke deposited on surfaces generates strong T1 contrast allowing the observation of smoke deposition with spatial resolution. Conversely, water adsorption on surfaces significantly lengths the T1 times due competitive surface adsorption

  13. Development of Nuclear Magnetic Resonance Imaging/spectroscopy for improved petroleum recovery. Final report

    SciTech Connect

    Barrufet, M.A.; Flumerfelt, F.W.; Walsh, M.P.; Watson, A.T.

    1994-04-01

    The overall objectives of this program are to develop and apply Nuclear Magnetic Resonance Imaging (NMRI) and CT X-Ray Scanning methods for determining rock, fluid, and petrophysical properties and for fundamental studies of multiphase flow behavior in porous media. Specific objectives are divided into four subtasks: (1) development of NMRI and CT scanning for the determination of rock-fluid and petrophysical properties; (2) development of NMRI and CT scanning for characterizing conventional multiphase displacement processes; (3) development of NMR and CT scanning for characterizing dispersed phase processes; and (4) miscible displacement studies.

  14. Geochemistry of the Medieval Climate Anomaly varve sequence in Deep Inlet, Alaska, using core-scanning XRF, synchrotron micro-XRF and XANES spectroscopy, and micro-Raman spectroscopy

    NASA Astrophysics Data System (ADS)

    Addison, J. A.; Hayes, S. M.; Sliwinski, M. G.; Routson, C.; Foster, A. L.

    2013-12-01

    The seasonal time resolution preserved in varved sediments make them critical archives of paleoclimate records. Our research group presents new geochemical data from a late Holocene varve sequence recovered from EW0408-44JC in Deep Inlet, an anoxic fjord in Southeast Alaska, with a particular focus on those varves deposited during the Medieval Climate Anomaly (~AD 1000) which is considered to be drier than at present in the Gulf of Alaska region. We utilize a combination of techniques: [1] scanning X-ray fluorescence (XRF) analysis of an 18-m-long split sediment core surface measured at 200-micron sampling resolution; [2] synchrotron-radiation micro-XRF (SR-μ-XRF) mapping of epoxy-impregnated thin sections at 6-to-50 micron spatial scales; [3] X-ray absorption near-edge spectroscopy (XANES) for Fe speciation; and [4] micro-Raman spectroscopy to determine varve mineralogy. Using these complementary techniques, we seek to determine if total iron concentration in Deep Inlet sediments can be used as a robust proxy for terrestrial erosion, and by inference, local precipitation and fluvial discharge. Our scanning XRF results show that total Fe concentration maxima tend to be co-located with dark-colored detrital mineral-rich sublaminae and turbidites, but there are several instances where this relationship is inconsistent. Thin-section SR-μ-XRF analysis of the same intervals reveal that high Fe concentrations are associated with detrital sublaminae, but Fe XANES reveal complex speciation in these fjord sediments, including sulfides (FeII), oxides and oxyhydroxides (FeIII), and mixed FeII/FeIII mineral phases. These diverse data imply a complex Fe cycle in Deep Inlet, comprising sources of Fe that likely include both detrital oxides and authigenic sulfides. Taken together, these data indicate caution is necessary in using total Fe concentrations as a proxy for paleoprecipitation reconstructions at this site. Studies of other redox-sensitive elements are underway (e

  15. The Role of High-Resolution Magic Angle Spinning 1H Nuclear Magnetic Resonance Spectroscopy for Predicting the Invasive Component in Patients with Ductal Carcinoma In Situ Diagnosed on Preoperative Biopsy.

    PubMed

    Chae, Eun Young; Shin, Hee Jung; Kim, Suhkmann; Baek, Hyeon-Man; Yoon, Dahye; Kim, Siwon; Shim, Ye Eun; Kim, Hak Hee; Cha, Joo Hee; Choi, Woo Jung; Lee, Jeong Hyun; Shin, Ji Hoon; Lee, Hee Jin; Gong, Gyungyub

    2016-01-01

    The purpose of this study was to evaluate the role of high-resolution magic angle spinning (HR-MAS) 1H nuclear magnetic resonance (NMR) spectroscopy in patients with ductal carcinoma in situ (DCIS) diagnosed on preoperative biopsy. We investigated whether the metabolic profiling of tissue samples using HR-MAS 1H NMR spectroscopy could be used to distinguish between DCIS lesions with or without an invasive component. Our institutional review board approved this combined retrospective and prospective study. Tissue samples were collected from 30 patients with pure DCIS and from 30 with DCIS accompanying invasive carcinoma. All patients were diagnosed with DCIS by preoperative core-needle biopsy and underwent surgical resection. The metabolic profiling of tissue samples was performed by HR-MAS 1H NMR spectroscopy. All observable metabolite signals were identified and quantified in all tissue samples. Metabolite intensity normalized by total spectral intensities was compared according to the tumor type using the Mann-Whitney test. Multivariate analysis was performed with orthogonal projections to latent structure-discriminant analysis (OPLS-DA). By univariate analysis, the metabolite concentrations of choline-containing compounds obtained with HR-MAS 1H NMR spectroscopy did not differ significantly between the pure DCIS and DCIS accompanying invasive carcinoma groups. However, the GPC/PC ratio was higher in the pure DCIS group than in the DCIS accompanying invasive carcinoma group (p = 0.004, Bonferroni-corrected p = 0.064), as well as the concentration of myo-inositol and succinate. By multivariate analysis, the OPLS-DA models built with HR-MAS MR metabolic profiles could clearly discriminate between pure DCIS and DCIS accompanying invasive carcinoma. Our preliminary results suggest that HR-MAS MR metabolomics on breast tissue may be able to distinguish between DCIS lesions with or without an invasive component. PMID:27560937

  16. The Role of High-Resolution Magic Angle Spinning 1H Nuclear Magnetic Resonance Spectroscopy for Predicting the Invasive Component in Patients with Ductal Carcinoma In Situ Diagnosed on Preoperative Biopsy

    PubMed Central

    Chae, Eun Young; Kim, Suhkmann; Baek, Hyeon-Man; Yoon, Dahye; Kim, Siwon; Shim, Ye Eun; Kim, Hak Hee; Cha, Joo Hee; Choi, Woo Jung; Lee, Jeong Hyun; Shin, Ji Hoon; Lee, Hee Jin; Gong, Gyungyub

    2016-01-01

    The purpose of this study was to evaluate the role of high-resolution magic angle spinning (HR-MAS) 1H nuclear magnetic resonance (NMR) spectroscopy in patients with ductal carcinoma in situ (DCIS) diagnosed on preoperative biopsy. We investigated whether the metabolic profiling of tissue samples using HR-MAS 1H NMR spectroscopy could be used to distinguish between DCIS lesions with or without an invasive component. Our institutional review board approved this combined retrospective and prospective study. Tissue samples were collected from 30 patients with pure DCIS and from 30 with DCIS accompanying invasive carcinoma. All patients were diagnosed with DCIS by preoperative core-needle biopsy and underwent surgical resection. The metabolic profiling of tissue samples was performed by HR-MAS 1H NMR spectroscopy. All observable metabolite signals were identified and quantified in all tissue samples. Metabolite intensity normalized by total spectral intensities was compared according to the tumor type using the Mann-Whitney test. Multivariate analysis was performed with orthogonal projections to latent structure-discriminant analysis (OPLS-DA). By univariate analysis, the metabolite concentrations of choline-containing compounds obtained with HR-MAS 1H NMR spectroscopy did not differ significantly between the pure DCIS and DCIS accompanying invasive carcinoma groups. However, the GPC/PC ratio was higher in the pure DCIS group than in the DCIS accompanying invasive carcinoma group (p = 0.004, Bonferroni-corrected p = 0.064), as well as the concentration of myo-inositol and succinate. By multivariate analysis, the OPLS-DA models built with HR-MAS MR metabolic profiles could clearly discriminate between pure DCIS and DCIS accompanying invasive carcinoma. Our preliminary results suggest that HR-MAS MR metabolomics on breast tissue may be able to distinguish between DCIS lesions with or without an invasive component. PMID:27560937

  17. Characterization of intermolecular structure of β(2)-microglobulin core fragments in amyloid fibrils by vacuum-ultraviolet circular dichroism spectroscopy and circular dichroism theory.

    PubMed

    Matsuo, Koichi; Hiramatsu, Hirotsugu; Gekko, Kunihiko; Namatame, Hirofumi; Taniguchi, Masaki; Woody, Robert W

    2014-03-20

    Intermolecular structures are important factors for understanding the conformational properties of amyloid fibrils. In this study, vacuum-ultraviolet circular dichroism (VUVCD) spectroscopy and circular dichroism (CD) theory were used for characterizing the intermolecular structures of β2-microglobulin (β2m) core fragments in the amyloid fibrils. The VUVCD spectra of β2m20-41, β2m21-31, and β2m21-29 fragments in the amyloid fibrils exhibited characteristic features, but they were affected not only by the backbone conformations but also by the aromatic side-chain conformations. To estimate the contributions of aromatic side-chains to the spectra, the theoretical spectra were calculated from the simulated structures of β2m21-29 amyloid fibrils with various types of β-sheet stacking (parallel or antiparallel) using CD theory. We found that the experimental spectrum of β2m21-29 fibrils is largely affected by aromatic-backbone couplings, which are induced by the interaction between transitions within the aromatic and backbone chromophores, and these couplings are sensitive to the type of stacking among the β-sheets of the fibrils. Further theoretical analyses of simulated structures incorporating mutated aromatic residues suggested that the β2m21-29 fibrils are composed of amyloid accumulations in which the parallel β-sheets stack in an antiparallel manner and that the characteristic Phe-Tyr interactions among the β-sheet stacks affect the aromatic-backbone coupling. These findings indicate that the coupling components, which depend on the characteristic intermolecular structures, induce the spectral differences among three fragments in the amyloid fibrils. These advanced spectral analyses using CD theory provide a useful method for characterizing the intermolecular structures of protein and peptide fragment complexes. PMID:24512563

  18. Atomic force microscopy-coupled microcoils for cellular-scale nuclear magnetic resonance spectroscopy

    PubMed Central

    Mousoulis, Charilaos; Maleki, Teimour; Ziaie, Babak; Neu, Corey P.

    2013-01-01

    We present the coupling of atomic force microscopy (AFM) and nuclear magnetic resonance (NMR) technologies to enable topographical, mechanical, and chemical profiling of biological samples. Here, we fabricate and perform proof-of-concept testing of radiofrequency planar microcoils on commercial AFM cantilevers. The sensitive region of the coil was estimated to cover an approximate volume of 19.4 × 103 μm3 (19.4 pl). Functionality of the spectroscopic module of the prototype device is illustrated through the detection of 1Η resonance in deionized water. The acquired spectra depict combined NMR capability with AFM that may ultimately enable biophysical and biochemical studies at the single cell level. PMID:24719493

  19. Structures of peptide families by nuclear magnetic resonance spectroscopy and distance geometry

    SciTech Connect

    Pease, J.H.

    1989-12-01

    The three dimensional structures of several small peptides were determined using a combination of {sup 1}H nuclear magnetic resonance (NMR) and distance geometry calculations. These techniques were found to be particularly helpful for analyzing structural differences between related peptides since all of the peptides' {sup 1}H NMR spectra are very similar. The structures of peptides from two separate classes are presented. Peptides in the first class are related to apamin, an 18 amino acid peptide toxin from honey bee venom. The {sup 1}H NMR assignments and secondary structure determination of apamin were done previously. Quantitative NMR measurements and distance geometry calculations were done to calculate apamin's three dimensional structure. Peptides in the second class are 48 amino acid toxins from the sea anemone Radianthus paumotensis. The {sup 1}H NMR assignments of toxin II were done previously. The {sup 1}H NMR assignments of toxin III and the distance geometry calculations for both peptides are presented.

  20. The Determination of Deuterium and Tritium in Effluent Wastewater by Pulsed Nuclear Magnetic Resonance Spectroscopy

    SciTech Connect

    Attalla, A.; Birkbeck, J. C.

    1985-04-01

    A pulsed nuclear magnetic resonance (NMR) procedure was developed for the quantitative determination of deuterium and tritium in radioactive, effluent, wastewater to aid in the design of an efficient combined electrolytic/catalytic exchange system for the recovery of these hydrogen isotopes. The deuterium and tritium NMR signals were observed at 9.210 and 45.7 MHz, respectively. Ten different effluent water samples were analyzed for deuterium and tritium to establish base-line data for the preparation of standard reference samples. The hydrogen isotope concentrations ranged from 0.11 to 2.40 g deuterium and from 2.0 to 21.0 mg tritium per liter of processed sample. The standard deviation of the hydrogen isotope determinations is +- 0.017 g deuterium and +- 0.06 mg tritium per liter of processed effluent water. In the future, the effectiveness of specially prepared and analyzed (calorimetry) effluent samples as tritium standards will be investigated.

  1. QUANTUM CONTROL OF LIGHT: From Slow Light and FAST CARS to Nuclear γ-ray Spectroscopy

    NASA Astrophysics Data System (ADS)

    Scully, Marlan

    2007-06-01

    In recent work we have demonstrated strong coherent backward wave oscillation using forward propagating fields only. This surprising result is achieved by applying laser fields to an ultra-dispersive medium with proper chosen detunings to excite a molecular vibrational coherence that corresponds to a backward propagating wave [PRL, 97, 113001 (2006)]. The physics then has much in common with propagation of ultra-slow light. Applications of coherent scattering and remote sensing to the detection of bio and chemical pathogens (e.g., anthrax) via Coherent Anti-Raman Scattering together with Femtosecond Adaptive Spectroscopic Techniques (FAST CARS [Opt. Comm., 244, 423 (2005)]) will be discussed. Furthermore, the interplay between quantum optics (Dicke super and sub-radiant states) and nuclear physics (forward scattering of γ radiation) provides interesting problems and insights into the quantum control of scattered light [PRL, 96, 010501 (2005)].

  2. Erythrocytes in muscular dystrophy. Investigation with 31P nuclear magnetic resonance spectroscopy

    SciTech Connect

    Sarpel, G.; Lubansky, H.J.; Danon, M.J.; Omachi, A.

    1981-05-01

    Phosphorus 31 nuclear magnetic resonance (31P NMR) signals were recorded from intact human erythrocytes for 16 hours. Total phosphate concentration, which was estimated as the sum of the individual 31P signals, was 25% lower in erythrocytes from men with myotonic dystrophy than in control erythrocytes. The inorganic-phosphate fraction contained the highest average phosphate concentration over the 16-hour period, and made the major contribution to the difference in total phosphate between the two groups. This result was not observed in erythrocytes from either women with myotonic dystrophy or patients with Duchenne's dystrophy and may be due to a change in cell membrane permeability to inorganic phosphate, which lead to lower steady-state concentrations of the intracellular phosphates.

  3. Erythrocytes in muscular dystrophy. Investigation with /sup 31/P nuclear magnetic resonance spectroscopy

    SciTech Connect

    Sarpel, G.; Lubansky, H.J.; Danon, M.J.; Omachi, A.

    1981-05-01

    Phosphorus 31 nuclear magnetic resonance (/sup 31/P NMR) signals were recorded from intact human erythrocytes for 16 hours. Total phosphate concentration, which was estimated as the sum of the individual /sup 31/P signals, was 25% lower in erythrocytes from men with myotonic dystrophy than in control erythrocytes. The inorganic-phosphate fraction contained the highest average phosphate concentration over the 16-hour period, and made the major contribution to the difference in total phosphate between the two groups. This result was not observed in erythrocytes from either women with myotonic dystrophy or patients with Duchenne's dystrophy and may be due to a change in cell membrane permeability to inorganic phosphate, which leads to lower steady-state concentrations of the intracellular phosphates.

  4. Metabonomic analysis of ovarian tumour cyst fluid by proton nuclear magnetic resonance spectroscopy.

    PubMed

    Kyriakides, Michael; Rama, Nona; Sidhu, Jasmin; Gabra, Hani; Keun, Hector C; El-Bahrawy, Mona

    2016-02-01

    The majority of ovarian tumours are of the epithelial type, which can be sub classified as benign, borderline or malignant. Epithelial tumours usually have cystic spaces filled with cyst fluid, the metabolic profile of which reflects the metabolic activity of the tumour cells, due to their close proximity. The approach of metabonomics using 1H-NMR spectroscopy was employed to characterize the metabolic profiles of ovarian cyst fluid samples (n = 23) from benign, borderline and malignant ovarian tumours in order to shed more light into ovarian tumour and cancer development. The analysis revealed that citrate was elevated in benign versus malignant tumours, while the amino acid lysine was elevated in malignant versus non-malignant tumours, both at a 5% significance level. Choline and lactate also had progressively increasing levels from benign to borderline to malignant samples. Finally, hypoxanthine was detected exclusively in a sub-cohort of the malignant tumours. This metabonomic study demonstrates that ovarian cyst fluid samples have potential to be used to distinguish between the different types of ovarian epithelial tumours. Furthermore, the respective metabolic profiles contain mechanistic information which could help identify biomarkers and therapeutic targets for ovarian tumours. PMID:26769844

  5. Metabonomic analysis of ovarian tumour cyst fluid by proton nuclear magnetic resonance spectroscopy

    PubMed Central

    Kyriakides, Michael; Rama, Nona; Sidhu, Jasmin; Gabra, Hani; Keun, Hector C.; El-Bahrawy, Mona

    2016-01-01

    The majority of ovarian tumours are of the epithelial type, which can be sub classified as benign, borderline or malignant. Epithelial tumours usually have cystic spaces filled with cyst fluid, the metabolic profile of which reflects the metabolic activity of the tumour cells, due to their close proximity. The approach of metabonomics using 1H-NMR spectroscopy was employed to characterize the metabolic profiles of ovarian cyst fluid samples (n = 23) from benign, borderline and malignant ovarian tumours in order to shed more light into ovarian tumour and cancer development. The analysis revealed that citrate was elevated in benign versus malignant tumours, while the amino acid lysine was elevated in malignant versus non-malignant tumours, both at a 5% significance level. Choline and lactate also had progressively increasing levels from benign to borderline to malignant samples. Finally, hypoxanthine was detected exclusively in a sub-cohort of the malignant tumours. This metabonomic study demonstrates that ovarian cyst fluid samples have potential to be used to distinguish between the different types of ovarian epithelial tumours. Furthermore, the respective metabolic profiles contain mechanistic information which could help identify biomarkers and therapeutic targets for ovarian tumours. PMID:26769844

  6. Terahertz Time-Domain Spectroscopy for In Situ Monitoring of Ceramic Nuclear Waste Forms

    NASA Astrophysics Data System (ADS)

    Clark, Braeden M.; Sundaram, S. K.

    2016-06-01

    The use of terahertz time-domain spectroscopy (THz-TDS) is presented as a non-contact method for in situ monitoring of ceramic waste forms. Single-phase materials of zirconolite (CaZrTi2O7), pyrochlore (Nd2Ti2O7), and hollandite (BaCs0.3Cr2.3Ti5.7O16 and BaCs0.3CrFeAl0.3Ti5.7O16) were characterized. The refractive index and dielectric properties in THz frequencies demonstrate the ability to distinguish between these materials. Differences in processing methods show distinct changes in both the THz-TDS spectra and optical and dielectric properties of these ceramic phases. The temperature dependence of the refractive index and relative permittivity of pyrochlore and zirconolite materials in the range of 25-200 °C is found to follow an exponential increasing trend. This can also be used to monitor the temperature of the ceramic waste forms on storage over extended geological time scales.

  7. Theoretical and experimental evaluation of broadband decoupling techniques for in vivo nuclear magnetic resonance spectroscopy.

    PubMed

    de Graaf, Robin A

    2005-06-01

    A theoretical and experimental evaluation of existing broadband decoupling methods with respect to their utility for in vivo (1)H-(13)C NMR spectroscopy is presented. Simulations are based on a modified product operator formalism, while an experimental evaluation is performed on in vitro samples and human leg and rat brain in vivo. The performance of broadband decoupling methods was evaluated with respect to the required peak and average RF powers, decoupling bandwidth, decoupling side bands, heteronuclear scalar coupling constant, and sensitivity toward B(2) inhomogeneity. In human applications only the WALTZ and MLEV decoupling methods provide adequate decoupling performance at RF power levels that satisfy the FDA guidelines on local tissue heating. For very low RF power levels (B(2max) < 300 Hz) one should verify empirically whether the experiment will benefit from broadband decoupling. At higher RF power levels acceptable for animal studies additional decoupling techniques become available and provide superior performance. Since the average RF power of adiabatic RF pulses is almost always significantly lower than the peak RF power, it can be stated that for average RF powers suitable for animal studies it is always possible to design an adiabatic decoupling scheme that outperforms all other schemes. B(2) inhomogeneity degrades the decoupling performance of all methods, but the decoupling bandwidths for WALTZ-16 and especially adiabatic methods are still satisfactory for useful in vivo decoupling with a surface coil. PMID:15906279

  8. Integral field spectroscopy of the circum-nuclear region of the radio Galaxy Pictor A

    NASA Astrophysics Data System (ADS)

    Couto, Guilherme S.; Storchi-Bergmann, Thaisa; Robinson, Andrew; Riffel, Rogemar A.; Kharb, Preeti; Lena, Davide; Schnorr-Müller, Allan

    2016-05-01

    We present optical integral field spectroscopy of the inner 2.5 × 3.4 kpc2 of the broad-line radio galaxy Pictor A, at a spatial resolution of ≈400 pc. Line emission is observed over the whole field of view, being strongest at the nucleus and in an elongated linear feature (ELF) crossing the nucleus from the south-west to the north-east along PA ≈70°. Although the broad double-peaked Hα line and the [O I]6300/Hα and [S II]6717+31/Hα ratios are typical of active galactic nuclei (AGNs), the [N II]6584/Hα ratio (0.15-0.25) is unusually low. We suggest that this is due to the unusually low metallicity of the gas. Centroid velocity maps show mostly blueshifts to the south and redshifts to the north of the nucleus, but the velocity field is not well fitted by a rotation model. Velocity dispersions are low (<100 km s- 1 ) along the ELF, ruling out a jet-cloud interaction as the origin of this structure. The ELF shows both blueshifts and redshifts in channel maps, suggesting that it is close to the plane of the sky. The ELF is evidently photoionized by the AGN, but its kinematics and inferred low metallicity suggest that this structure may have originated in a past merger event with another galaxy. We suggest that the gas acquired in this interaction may be feeding the ELF.

  9. Quantitative determinations of levofloxacin and rifampicin in pharmaceutical and urine samples using nuclear magnetic resonance spectroscopy

    NASA Astrophysics Data System (ADS)

    Salem, A. A.; Mossa, H. A.; Barsoum, B. N.

    2005-11-01

    Rapid, specific and simple methods for determining levofloxacin and rifampicin antibiotic drugs in pharmaceutical and human urine samples were developed. The methods are based on 1H NMR spectroscopy using maleic acid as an internal standard and DMSO-d6 as NMR solvent. Integration of NMR signals at 8.9 and 8.2 ppm were, respectively, used for calculating the concentration of levofloxacin and rifampicin drugs per unit dose. Maleic acid signal at 6.2 ppm was used as the reference signal. Recoveries of (97.0-99.4) ± 0.5 and (98.3-99.7) ± 1.08% were obtained for pure levofloxacin and rifampicin, respectively. Corresponding recoveries of 98.5-100.3 and 96.8-100.0 were, respectively, obtained in pharmaceutical capsules and urine samples. Relative standard deviations (R.S.D.) values ≤2.7 were obtained for analyzed drugs in pure, pharmaceutical and urine samples. Statistical Student's t-test gave t-values ≤2.87 indicating insignificant difference between the real and the experimental values at the 95% confidence level. F-test revealed insignificant difference in precisions between the developed NMR methods and each of fluorimetric and HPLC methods for analyzing levofloxacin and rifampicin.

  10. Analysis of Soft Drinks Using Nuclear Magnetic Resonance Spectroscopy: A Mentorship

    NASA Astrophysics Data System (ADS)

    Wilson, Arkim; Myers, Craig; Crull, George; Curtis, Michael; Pasciak Patterson, Pamela

    1999-10-01

    This mentorship was designed to expose a student to the laboratory routine for a chemist at Bristol Myers Squibb Company (BMS). The student visited BMS, collaborated with BMS scientists, and actually completed a project on site. He was asked to determine the identity of an unknown sample of soft drink retrieved from a fictitious crime scene using NMR spectroscopy. He designed an experiment to test the unknown sample and used samples of purified sugar, purified caffeine, purified citric acid, Coke, Diet Coke, Pepsi, Mountain Dew, Diet 7-Up, and Sam's Diet Cola as controls. The results were analyzed and presented in a final report. The student was able to determine if the unknown contained sugar, caffeine, Nutrasweet, or sodium benzoate. He learned how to compile relevant information, conduct an experiment, collect and analyze data, draw conclusions, and prepare and edit a formal report. In addition to learning the uses of NMR, he also learned some of its limitations. In the final report, he was encouraged to reflect on the difficulties a scientist might encounter when trying to identify NMR peaks without an "ingredient list" like those of the soft drink cans. The experience was rewarding for the student and all scientists involved.

  11. Probing the spatial distribution of nuclear magnetism in francium by optical spectroscopy

    NASA Astrophysics Data System (ADS)

    Aubin, S.; Tandecki, M.; Behr, J. A.; Pearson, M. R.; Zhang, J.; Orozco, L. A.; Collister, R.; Gwinner, G.; Gomez, E.

    2013-10-01

    The recently commissioned Francium Trapping Facility at TRIUMF in Vancouver, Canada will enable experiments to study weak interactions in francium atoms. We have successfully trapped and cooled 206 , 207 , 209 , 213 , 221Fr isotopes in large quantities (104 to 105) with trap lifetimes comparable to the radioactive lifetimes of the shortest lived trapped isotope (t1/2 = 14.8s). We use a combination of radio-frequency and optical spectroscopy to determine the hyperfine splittings of the 7P1 / 2 level of isotopes 206 , 207 , 209 , 213Fr to the 100 ppm level. These measurements, in combination with the known hyperfine ground state splittings, can be used to study the hyperfine anomaly in these isotopes. Our results extend previous work on the neutron distribution to a closed neutron shell isotope (213) and to neutron deficient isotopes (206, 207). These spectroscopic measurements also allow us to extract the isotope shifts to study changes in the charge radius. Work supported by NSERC and NRC from Canada, NSF and DOE from USA, and CONACYT from Mexico.

  12. Dynamic nuclear protein interactions investigated using fluorescence lifetime and fluorescence fluctuation spectroscopy

    NASA Astrophysics Data System (ADS)

    Siegel, Amanda P.; Hays, Nicole M.; Day, Richard N.

    2012-03-01

    The discovery and engineering of novel fluorescent proteins (FPs) from diverse organisms is yielding fluorophores with exceptional characteristics for live-cell imaging. In particular, the development of FPs for Förster resonance energy transfer (FRET) microscopy and fluorescence fluctuation spectroscopy (FFS) provide important tools for monitoring dynamic protein interactions inside living cells. Fluorescence lifetime imaging microscopy (FLIM) quantitatively maps changes in the spatial distribution of donor FP lifetimes that result from FRET with acceptor FPs. FFS probes dynamic protein associations through its capacity to monitor localized protein diffusion. Here, we use FRET-FLIM combined with FFS in living cells to investigate changes in protein mobility due to protein-protein interactions involving transcription factors and chromatin modifying proteins that function in anterior pituitary gene regulation. The heterochromatin protein 1 alpha (HP1α) plays a key role in the establishment and maintenance of heterochromatin through its interactions with histone methyltransferases. Recent studies, however, also highlight the importance of HP1α as a positive regulator of active transcription in euchromatin. Intriguingly, we observed that the transcription factor CCAAT/enhancer-binding protein alpha (C/EBPα) interacts with HP1α in regions of pericentromeric heterochromatin in mouse pituitary cells. These observations prompted us to investigate the relationship between HP1α dynamic interactions in pituitary specific gene regulation.

  13. Neutron scattering and nuclear magnetic resonance spectroscopy structural studies of protein-DNA complexes

    SciTech Connect

    Bradbury, E.M.; Catasti, P.; Chen, X.; Gupta, G.; Imai, B.; Moyzis, R.; Ratliff, R.; Velupillai, S.

    1996-03-01

    This is the final report of a one-year, Laboratory-Directed Research and Development (LDRD) project at the Los Alamos National Laboratory (LANL). The project sought to employ advanced biophysical measurements to study the structure of nucleosomes and the structure of origins of DNA replication. The fundamental repeating unit of human chromosomes is the nucleosome, which contains about 200 base pairs of DNA and 9 histone proteins. Genome replication is strictly associated with the reversible acetylations of histones that unfold chromatin to allow access of factors to origins of DNA replications. The authors have studied two major structural problems: (1) the effects of histone acetylation on nucleosome structure, and (2) the structure of DNA origins of replication. They have recently completed preliminary X-ray scattering experiments at Stanford on positioned nucleosomes with defined DNA sequence and length, histone composition and level of acetylation. These experiments have shown that lengths of the DNA and acetylations of the histone H4 result in nucleosome structural changes. To understand internucleosomal interactions and the roles of histone H1 the authors have made preliminary x-ray scatter studies on native dinucleosomes that have demonstrated the feasibility of these experiments. The DNA sequence of the yeast replication origin has been synthesized for structure determination by multi-dimensional NMR spectroscopy.

  14. A phytochemical comparison of saw palmetto products using gas chromatography and 1H nuclear magnetic resonance spectroscopy metabolomic profiling

    PubMed Central

    Booker, Anthony; Suter, Andy; Krnjic, Ana; Strassel, Brigitte; Zloh, Mire; Said, Mazlina; Heinrich, Michael

    2014-01-01

    Objectives Preparations containing saw palmetto berries are used in the treatment of benign prostatic hyperplasia (BPH). There are many products on the market, and relatively little is known about their chemical variability and specifically the composition and quality of different saw palmetto products notwithstanding that in 2000, an international consultation paper from the major urological associations from the five continents on treatments for BPH demanded further research on this topic. Here, we compare two analytical approaches and characterise 57 different saw palmetto products. Methods An established method – gas chromatography – was used for the quantification of nine fatty acids, while a novel approach of metabolomic profiling using 1H nuclear magnetic resonance (NMR) spectroscopy was used as a fingerprinting tool to assess the overall composition of the extracts. Key findings The phytochemical analysis determining the fatty acids showed a high level of heterogeneity of the different products in the total amount and of nine single fatty acids. A robust and reproducible 1H NMR spectroscopy method was established, and the results showed that it was possible to statistically differentiate between saw palmetto products that had been extracted under different conditions but not between products that used a similar extraction method. Principal component analysis was able to determine those products that had significantly different metabolites. Conclusions The metabolomic approach developed offers novel opportunities for quality control along the value chain of saw palmetto and needs to be followed further, as with this method, the complexity of a herbal extract can be better assessed than with the analysis of a single group of constituents. PMID:24417505

  15. Characterization of the AT180 epitope of phosphorylated Tau protein by a combined nuclear magnetic resonance and fluorescence spectroscopy approach

    SciTech Connect

    Amniai, Laziza; Lippens, Guy; Landrieu, Isabelle

    2011-09-09

    Highlights: {yields} pThr231 of the Tau protein is necessary for the binding of the AT180 antibody. {yields} pSer235 of the Tau protein does not interfere with the AT180 recognition of pThr231. {yields} Epitope mapping is efficiently achieved by combining NMR and FRET spectroscopy. -- Abstract: We present here the characterization of the epitope recognized by the AT180 monoclonal antibody currently used to define an Alzheimer's disease (AD)-related pathological form of the phosphorylated Tau protein. Some ambiguity remains as to the exact phospho-residue(s) recognized by this monoclonal: pThr231 or both pThr231 and pSer235. To answer this question, we have used a combination of nuclear magnetic resonance (NMR) and fluorescence spectroscopy to characterize in a qualitative and quantitative manner the phospho-residue(s) essential for the epitope recognition. Data from the first step of NMR experiments are used to map the residues bound by the antibodies, which were found to be limited to a few residues. A fluorophore is then chemically attached to a cystein residue introduced close-by the mapped epitope, at arginine 221, by mutagenesis of the recombinant protein. The second step of Foerster resonance energy transfer (FRET) between the AT180 antibody tryptophanes and the phospho-Tau protein fluorophore allows to calculate a dissociation constant Kd of 30 nM. We show that the sole pThr231 is necessary for the AT180 recognition of phospho-Tau and that phosphorylation of Ser235 does not interfere with the binding.

  16. Self-actuated nuclear reactor shutdown system using induction pump to facilitate sensing of core coolant temperature

    DOEpatents

    Sievers, Robert K.; Cooper, Martin H.; Tupper, Robert B.

    1987-01-01

    A self-actuated shutdown system incorporated into a reactivity control assembly in a nuclear reactor includes pumping means for creating an auxiliary downward flow of a portion of the heated coolant exiting from the fuel assemblies disposed adjacent to the control assembly. The shutdown system includes a hollow tubular member which extends through the outlet of the control assembly top nozzle so as to define an outer annular flow channel through the top nozzle outlet separate from an inner flow channel for primary coolant flow through the control assembly. Also, a latching mechanism is disposed in an inner duct of the control assembly and is operable for holding absorber bundles in a raised position in the control assembly and for releasing them to drop them into the core of the reactor for shutdown purposes. The latching mechanism has an inner flow passage extending between and in flow communication with the absorber bundles and the inner flow channel of the top nozzle for accommodating primary coolant flow upwardly through the control assembly. Also, an outer flow passage separate from the inner flow passage extends through the latching mechanism between and in flow communication with the inner duct and the outer flow channel of the top nozzle for accommodating inflow of a portion of the heated coolant from the adjacent fuel assemblies. The latching mechanism contains a magnetic material sensitive to temperature and operable to cause mating or latching together of the components of the latching mechanism when the temperature sensed is below a known temperature and unmating or unlatching thereof when the temperature sensed is above a given temperature. The temperature sensitive magnetic material is positioned in communication with the heated coolant flow through the outer flow passage for directly sensing the temperature thereof. Finally, the pumping means includes a jet induction pump nozzle and diffuser disposed adjacent the bottom nozzle of the control assembly

  17. Natural abundance deuterium nuclear magnetic resonance spectroscopy: Study of the biosynthesis of monoterpenes

    SciTech Connect

    Leopold, M.F.

    1990-01-01

    Deuterium NMR spectroscopy at natural abundance (D NMR-na) is a new technique for exploring the biosynthesis of small molecules such as monoterpenes. The analysis of relative site-specific deuterium integration values is an effective means of measuring isotope effects, and examining the regio- and stereochemistry of biosynthetic reactions. The deuterium integration values of linalyl acetate and limonene isolated from the same source were consistent and showed that proton abstraction from the postulated {alpha}-terpinyl cation intermediate to form limonene is regioselective from the methyl derived from the Cs methyl of the precursor, geranyl diphosphate. This regiochemistry was observed in limonene samples from different sources and the measured primary kinetic isotope effect ranged from 0.25 to in excess of 100 (no deuterium was removed within experimental error). Various {alpha}- and {beta}-pinene samples were isolated and D NMR-na analysis showed evidence of isotopically sensitive partitioning of the pinylcation in the formation of these products. This spectral analysis supported published radiolabeling studies but did not require synthesis of substrates or enzyme purification. The formation of 3-carene occurs without isomerization of the double bond which was previously postulated. The olefinic deuterium of the bicyclic compound was traced to the depleted deuterium at C{sub 2} of isopentyl diphosphate by D NMR-na data and this supported unpublished radiolabeling studies. Study of irregular monoterpenes, chrysanthemyl acetate and lyratyl acetate, showed partitioning of dimethylallyl diphosphate (DMAPP) by chrysanthemyl cyclase. The {alpha}-secondary kinetic isotope effect of 1.06-1.12, obtained from relative deuterium integration values, suggested that S{sub N}1 ionization of one molecule of DMAPP is the first step in the condensation reaction.

  18. Nuclear Spin Symmetry Conservation and Relaxation in Water (1H216O) Studied by Cavity Ring-Down (CRD) Spectroscopy of Supersonic Jets

    NASA Astrophysics Data System (ADS)

    Manca Tanner, Carine; Quack, Martin; Schmidiger, David

    2013-10-01

    We report high resolution near-infrared laser spectra of water seeded in a supersonic jet expansion of argon probed by cavity ring-down spectroscopy (CRDS) in the R branch of the 2-3 band (above 7500 cm-1) at several effective temperatures T < 30 K. Our goal is to study nuclear spin symmetry conservation and relaxation. For low mole fractions of water in the gas mixture, we obtained the lowest rotational temperatures and observed nuclear spin symmetry conservation, in agreement with theoretical expectation for inelastic collisions of isolated H2O molecules with Ar and similar to a previous series of experiments with other small molecules in supersonic jet expansions. However, for the highest mole fractions of water, which we used (xH2O < 1.6%), we obtained slightly higher rotational temperatures and observed nuclear spin symmetry relaxation, which cannot be explained by the intramolecular quantum relaxation mechanism in the monomer H2O. The nuclear spin symmetry relaxation observed is, indeed, seen to be related to the formation of water clusters at the early stage of the supersonic jet expansion. Under these conditions, two mechanisms can contribute to nuclear spin symmetry relaxation. The results are discussed in relation to claims of the stability of nuclear spin isomers of H2O in the condensed phase and briefly also to astrophysical spectroscopy.

  19. A reactor for high-throughput high-pressure nuclear magnetic resonance spectroscopy

    SciTech Connect

    Beach, N. J.; Knapp, S. M. M.; Landis, C. R.

    2015-10-15

    The design of a reactor for operando nuclear magnetic resonance (NMR) monitoring of high-pressure gas-liquid reactions is described. The Wisconsin High Pressure NMR Reactor (WiHP-NMRR) design comprises four modules: a sapphire NMR tube with titanium tube holder rated for pressures as high as 1000 psig (68 atm) and temperatures ranging from −90 to 90 °C, a gas circulation system that maintains equilibrium concentrations of dissolved gases during gas-consuming or gas-releasing reactions, a liquid injection apparatus that is capable of adding measured amounts of solutions to the reactor under high pressure conditions, and a rapid wash system that enables the reactor to be cleaned without removal from the NMR instrument. The WiHP-NMRR is compatible with commercial 10 mm NMR probes. Reactions performed in the WiHP-NMRR yield high quality, information-rich, and multinuclear NMR data over the entire reaction time course with rapid experimental turnaround.

  20. Anaerobic fermentation balance of Escherichia coli as observed by in vivo nuclear magnetic resonance spectroscopy.

    PubMed Central

    Alam, K Y; Clark, D P

    1989-01-01

    Fermenting anaerobic cultures of Escherichia coli were observed by the nonintrusive technique of in vivo, whole-culture nuclear magnetic resonance. Fermentation balances were calculated for hexoses, pentoses, sugar alcohols, and sugar acids. Substrates more reduced than glucose yielded more of the highly reduced fermentation product ethanol, whereas more-oxidized substrates produced more of the less-reduced fermentation product acetate. These relationships were made more obvious by the introduction of ldhA mutations, which abolished lactate production, and delta frd mutations, which eliminated succinate. When grown anaerobically on sugar alcohols such as sorbitol, E. coli produced ethanol in excess of the amount calculated by the standard fermentation pathways. Reducing equivalents must be recycled from formate to account for this excess of ethanol. In mutants deficient in hydrogenase (hydB), ethanol production from sorbitol was greatly decreased, implying that hydrogen gas released from formate by the formate-hydrogen lyase system may be partially recycled, in the wild type, to increase the yield of the highly reduced fermentation product ethanol. PMID:2681156