National Library of Energy BETA

Sample records for balls bran ch

  1. CH

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    Toluene is readily identified on the HOPG basal surface after the nonresonant sum frequency generation (SFG) signal is readily suppressed using time-delay methods enabled by femtosecond laser pulses. The signature CH 3 vibrational modes of toluene are resolved as exemplified by the black trace above. The molecular orientation of toluene from the surface normal is easily determined at the HOPG surface by employing the Polarization Null Angle Technique to triangulate position of the C3v symmetric

  2. Biomass Rapid Analysis Network (BRAN)

    SciTech Connect

    Not Available

    2003-10-01

    Helping the emerging biotechnology industry develop new tools and methods for real-time analysis of biomass feedstocks, process intermediates and The Biomass Rapid Analysis Network is designed to fast track the development of modern tools and methods for biomass analysis to accelerate the development of the emerging industry. The network will be led by industry and organized and coordinated through the National Renewable Energy Lab. The network will provide training and other activities of interest to BRAN members. BRAN members will share the cost and work of rapid analysis method development, validate the new methods, and work together to develop the training for the future biomass conversion workforce.

  3. Ball valve extractor

    DOEpatents

    Herndon, Charles; Brown, Roger A.

    2002-01-01

    An apparatus and process for removing a ball valve is provided. The ball valve removal tool provides a handle sliding along the length of a shaft. One end of the shaft is secured within an interior cavity of a ball valve while the opposite end of the shaft defines a stop member. By providing a manual sliding force to the handle, the handle impacts the stop member and transmits the force to the ball valve. The direction of the force is along the shaft of the removal tool and disengages the ball valve from the ball valve housing.

  4. Brans-Dicke cylindrical wormholes

    SciTech Connect

    Eiroa, Ernesto F.; Simeone, Claudio

    2010-10-15

    Static axisymmetric thin-shell wormholes are constructed within the framework of the Brans-Dicke scalar-tensor theory of gravity. Examples of wormholes associated with vacuum and electromagnetic fields are studied. All constructions must be threaded by exotic matter, except in the case of geometries with a singularity of finite radius, associated with an electric field, which can have a throat supported by ordinary matter. These results are achieved with any of the two definitions of the flare-out condition considered.

  5. Ping Pong Ball Anemometer

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    anemometer change as the speed of the wind changes. Hypothesis: JustificationExplanation Data: Wind Speed (mph) Angle of Ping-Pong Ball () Create a Scatter Plot of Power vs. ...

  6. Confinement of Coulomb balls

    SciTech Connect

    Arp, O.; Block, D.; Klindworth, M.; Piel, A.

    2005-12-15

    A model for the confinement of the recently discovered Coulomb balls is proposed. These spherical three-dimensional plasma crystals are trapped inside a rf discharge under gravity conditions and show an unusual structural order in complex plasmas. Measurements of the thermophoretic force acting on the trapped dust particles and simulations of the plasma properties of the discharge are presented. The proposed model of confinement considers thermophoretic, ion-drag, and electric field forces, and shows excellent agreement with the observations. The findings suggest that self-confinement does not significantly contribute to the structural properties of Coulomb balls.

  7. Detonator-activated ball shutter

    DOEpatents

    McWilliams, Roy A.; von Holle, William G.

    1983-01-01

    A detonator-activated ball shutter for closing an aperture in about 300.mu. seconds. The ball shutter containing an aperture through which light, etc., passes, is closed by firing a detonator which propels a projectile for rotating the ball shutter, thereby blocking passage through the aperture.

  8. Detonator-activated ball shutter

    DOEpatents

    McWilliams, R.A.; Holle, W.G. von.

    1983-08-16

    A detonator-activated ball shutter for closing an aperture in about 300[mu] seconds. The ball shutter containing an aperture through which light, etc., passes, is closed by firing a detonator which propels a projectile for rotating the ball shutter, thereby blocking passage through the aperture. 3 figs.

  9. BaroBall - Energy Innovation Portal

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    BaroBall Control Valve with Volume Flow Measurement Savannah River National Laboratory Contact SRNL About This Technology BaroBall control valve BaroBall control valve Technology Marketing SummaryBarometric pumping is a remediation technique that removes volatile contaminants from soil in the vadose zone, above the water table. The BaroBall control valve increases the efficiency of barometric pumping and allows natural soil gas to flow out of an underground well, while restricting air flow from

  10. Fate of thermal log type Q balls

    SciTech Connect

    Chiba, Takeshi; Kamada, Kohei; Kasuya, Shinta; Yamaguchi, Masahide

    2010-11-15

    We study time evolution of the Q ball in thermal logarithmic potential using lattice simulations. As the temperature decreases due to the cosmic expansion, the thermal logarithmic term in the potential is eventually overcome by a mass term, and we confirm that the Q ball transforms from the thick-wall type to the thin-wall type for a positive coefficient of radiative corrections to the mass term, as recently suggested. Moreover, we find that the Q ball finally ''melts down'' when the Q-ball solution disappears. We also discuss the effects of this phenomenon on the detectability of gravitational waves from the Q-ball formation.

  11. Inflation and dark energy from the Brans-Dicke theory

    SciTech Connect

    Artymowski, Michał; Lalak, Zygmunt; Lewicki, Marek

    2015-06-17

    We consider the Brans-Dicke theory motivated by the f(R)=R+αR{sup n}−βR{sup 2−n} model to obtain a stable minimum of the Einstein frame scalar potential of the Brans-Dicke field. As a result we have obtained an inflationary scalar potential with non-zero value of residual vacuum energy, which may be a source of dark energy. In addition we discuss the probability of quantum tunnelling from the minimum of the potential. Our results can be easily consistent with PLANCK or BICEP2 data for appropriate choices of the value of n and ω.

  12. Ball mounting fixture for a roundness gage

    DOEpatents

    Gauler, A.L.; Pasieka, D.F.

    1983-11-15

    A ball mounting fixture for a roundness gage is disclosed. The fixture includes a pair of chuck assemblies oriented substantially transversely with respect to one another and mounted on a common base. Each chuck assembly preferably includes a rotary stage and a wobble plate affixed thereto. A ball chuck affixed to each wobble plate is operable to selectively support a ball to be measured for roundness, with the wobble plate permitting the ball chuck to be tilted to center the ball on the axis of rotation of the rotary stage. In a preferred embodiment, each chuck assembly includes a vacuum chuck operable to selectively support the ball to be measured for roundness. The mounting fixture enables a series of roundness measurements to be taken with a conventional rotating gagehead roundness instrument, which measurements can be utilized to determine the sphericity of the ball. 6 figs.

  13. Ball mounting fixture for a roundness gage

    DOEpatents

    Gauler, Allen L. (Los Alamos, NM); Pasieka, Donald F. (Los Alamos, NM)

    1983-01-01

    A ball mounting fixture for a roundness gage is disclosed. The fixture includes a pair of chuck assemblies oriented substantially transversely with respect to one another and mounted on a common base. Each chuck assembly preferably includes a rotary stage and a wobble plate affixed thereto. A ball chuck affixed to each wobble plate is operable to selectively support a ball to be measured for roundness, with the wobble plate permitting the ball chuck to be tilted to center the ball on the axis of rotation of the rotary stage. In a preferred embodiment, each chuck assembly includes a vacuum chuck operable to selectively support the ball to be measured for roundness. The mounting fixture enables a series of roundness measurements to be taken with a conventional rotating gagehead roundness instrument, which measurements can be utilized to determine the sphericity of the ball.

  14. Ball feeder for replenishing evaporator feed

    DOEpatents

    Felde, David K.; McKoon, Robert H.

    1993-01-01

    Vapor source material such as uranium, which is to be dropped into a melt in an evaporator, is made into many balls of identical diameters and placed inside a container. An elongated sloping pipe is connected to the container and leads to the evaporator such that these balls can travel sequentially therealong by gravity. A metering valve in this pipe for passing these balls one at a time is opened in response to a signal when it is ascertained by a detector that there is a ball ready to be passed. A gate in the pipe near the evaporator momentarily stops the motion of the traveling ball and is then opened to allow the ball drop into the melt at a reduced speed.

  15. Ball feeder for replenishing evaporator feed

    DOEpatents

    Felde, D.K.; McKoon, R.H.

    1993-03-23

    Vapor source material such as uranium, which is to be dropped into a melt in an evaporator, is made into many balls of identical diameters and placed inside a container. An elongated sloping pipe is connected to the container and leads to the evaporator such that these balls can travel sequentially therealong by gravity. A metering valve in this pipe for passing these balls one at a time is opened in response to a signal when it is ascertained by a detector that there is a ball ready to be passed. A gate in the pipe near the evaporator momentarily stops the motion of the traveling ball and is then opened to allow the ball drop into the melt at a reduced speed.

  16. Multifractal properties of ball milling dynamics

    SciTech Connect

    Budroni, M. A. Pilosu, V.; Rustici, M.; Delogu, F.

    2014-06-15

    This work focuses on the dynamics of a ball inside the reactor of a ball mill. We show that the distribution of collisions at the reactor walls exhibits multifractal properties in a wide region of the parameter space defining the geometrical characteristics of the reactor and the collision elasticity. This feature points to the presence of restricted self-organized zones of the reactor walls where the ball preferentially collides and the mechanical energy is mainly dissipated.

  17. Telescoping magnetic ball bar test gage

    DOEpatents

    Bryan, J.B.

    1982-03-15

    A telescoping magnetic ball bar test gage for determining the accuracy of machine tools, including robots, and those measuring machines having non-disengagable servo drives which cannot be clutched out. Two gage balls are held and separated from one another by a telescoping fixture which allows them relative radial motional freedom but not relative lateral motional freedom. The telescoping fixture comprises a parallel reed flexure unit and a rigid member. One gage ball is secured by a magnetic socket knuckle assembly which fixes its center with respect to the machine being tested. The other gage ball is secured by another magnetic socket knuckle assembly which is engaged or held by the machine in such manner that the center of that ball is directed to execute a prescribed trajectory, all points of which are equidistant from the center of the fixed gage ball. As the moving ball executes its trajectory, changes in the radial distance between the centers of the two balls caused by inaccuracies in the machine are determined or measured by a linear variable differential transformer (LVDT) assembly actuated by the parallel reed flexure unit. Measurements can be quickly and easily taken for multiple trajectories about several different fixed ball locations, thereby determining the accuracy of the machine.

  18. Telescoping magnetic ball bar test gage

    DOEpatents

    Bryan, J.B.

    1984-03-13

    A telescoping magnetic ball bar test gage for determining the accuracy of machine tools, including robots, and those measuring machines having non-disengageable servo drives which cannot be clutched out is disclosed. Two gage balls are held and separated from one another by a telescoping fixture which allows them relative radial motional freedom but not relative lateral motional freedom. The telescoping fixture comprises a parallel reed flexure unit and a rigid member. One gage ball is secured by a magnetic socket knuckle assembly which fixes its center with respect to the machine being tested. The other gage ball is secured by another magnetic socket knuckle assembly which is engaged or held by the machine in such manner that the center of that ball is directed to execute a prescribed trajectory, all points of which are equidistant from the center of the fixed gage ball. As the moving ball executes its trajectory, changes in the radial distance between the centers of the two balls caused by inaccuracies in the machine are determined or measured by a linear variable differential transformer (LVDT) assembly actuated by the parallel reed flexure unit. Measurements can be quickly and easily taken for multiple trajectories about several different fixed ball locations, thereby determining the accuracy of the machine. 3 figs.

  19. I-ball formation with logarithmic potential

    SciTech Connect

    Kawasaki, Masahiro; Takeda, Naoyuki E-mail: takedan@icrr.u-tokyo.ac.jp

    2014-07-01

    A coherently oscillating real scalar field with potential shallower than quadratic one fragments into spherical objects called I-balls. We study the I-ball formation for logarithmic potential which appears in many cosmological models. We perform lattice simulations and find that the I-balls are formed when the potential becomes dominated by the quadratic term. Furthermore, we estimate the I-ball profile assuming that the adiabatic invariant is conserved during formation and obtain the result that agrees to the numerical simulations.

  20. Telescoping magnetic ball bar test gage

    DOEpatents

    Bryan, James B.

    1984-01-01

    A telescoping magnetic ball bar test gage for determining the accuracy of machine tools, including robots, and those measuring machines having non-disengageable servo drives which cannot be clutched out. Two gage balls (10, 12) are held and separated from one another by a telescoping fixture which allows them relative radial motional freedom but not relative lateral motional freedom. The telescoping fixture comprises a parallel reed flexure unit (14) and a rigid member (16, 18, 20, 22, 24). One gage ball (10) is secured by a magnetic socket knuckle assembly (34) which fixes its center with respect to the machine being tested. The other gage ball (12) is secured by another magnetic socket knuckle assembly (38) which is engaged or held by the machine in such manner that the center of that ball (12) is directed to execute a prescribed trajectory, all points of which are equidistant from the center of the fixed gage ball (10). As the moving ball (12) executes its trajectory, changes in the radial distance between the centers of the two balls (10, 12) caused by inaccuracies in the machine are determined or measured by a linear variable differential transformer (LVDT) assembly (50, 52, 54, 56, 58, 60) actuated by the parallel reed flexure unit (14). Measurements can be quickly and easily taken for multiple trajectories about several different fixed ball (10) locations, thereby determining the accuracy of the machine.

  1. Pontotoc Co. Greene Co. Hale Co. OAK GROVE C OAL D EGAS CEDAR...

    Gasoline and Diesel Fuel Update

    LITT LE SAND Y CREEK COAL D EGAS FAYETTE SW FAYETTE N WAT TS CR EEKALD YELLOW CR EEKALD RPDOKTIBBEHACNT Y-1 BALLS BRAN CH BU TT AH ATCH IE RIVER NETT LET ON ABERD EEN E ...

  2. OAK GROVE C OAL D EGAS CEDAR COVE COAL D EGAS BLU E CREEK COAL...

    Gasoline and Diesel Fuel Update

    LITT LE SAND Y CREEK COAL D EGAS FAYETTE SW FAYETTE N WAT TS CR EEKALD YELLOW CR EEKALD RPDOKTIBBEHACNT Y-1 BALLS BRAN CH BU TT AH ATCH IE RIVER NETT LET ON ABERD EEN E ...

  3. Pontotoc Co. Greene Co. Hale Co. OAK GROVE C OAL D EGAS CEDAR...

    Annual Energy Outlook

    LITT LE SAND Y CREEK COAL DEGAS FAYETTE SW FAYETTE N WAT TS CR EEKALD YELLOW CR EEKALD RPDOKTIBBEHACNT Y-1 BALLS BRAN CH BU TT AH ATCH IE RIVER NETT LETON ABERD EEN E TAYLOR ...

  4. RadBall Technology For Hot Cell Characterization | Department...

    Energy Saver

    RadBall Technology For Hot Cell Characterization RadBall Technology For Hot Cell Characterization A new, non-electrical, remote radiation mapping device known as RadBall has been ...

  5. F-term inflation Q-balls

    SciTech Connect

    McDonald, John

    2006-02-15

    A general analysis of Q-ball solutions of the supersymmetric F-term hybrid inflation field equations is given. The solutions consist of a complex inflaton field and a real symmetry-breaking field, with a conserved global charge associated with the inflaton. It is shown that the Q-ball solutions for any value of the superpotential coupling, {kappa}, may be obtained from those with {kappa}=1 by rescaling the space coordinates. The complete range of Q-ball solutions for the case {kappa}=1 is given, from which all possible F-term inflation Q-balls can be obtained. The possible role of F-term inflation Q-balls in cosmology is discussed.

  6. Thermal Analysis of Ball Type Fuel Element for PBR. (Technical...

    Office of Scientific and Technical Information (OSTI)

    Technical Report: Thermal Analysis of Ball Type Fuel Element for PBR. Citation Details In-Document Search Title: Thermal Analysis of Ball Type Fuel Element for PBR. Authors: ...

  7. Rotating boson stars and Q-balls

    SciTech Connect

    Kleihaus, Burkhard; Kunz, Jutta; List, Meike

    2005-09-15

    We consider axially symmetric, rotating boson stars. Their flat-space limits represent spinning Q-balls. We discuss their properties and determine their domain of existence. Q-balls and boson stars are stationary solutions and exist only in a limited frequency range. The coupling to gravity gives rise to a spiral-like frequency dependence of the boson stars. We address the flat-space limit and the limit of strong gravitational coupling. For comparison we also determine the properties of spherically symmetric Q-balls and boson stars.

  8. Q-balls in flat potentials

    SciTech Connect

    Copeland, Edmund J.; Tsumagari, Mitsuo I.

    2009-07-15

    We study the classical and absolute stability of Q-balls in scalar field theories with flat potentials arising in both gravity-mediated and gauge-mediated models. We show that the associated Q-matter formed in gravity-mediated potentials can be stable against decay into their own free particles as long as the coupling constant of the nonrenormalizable term is small, and that all of the possible three-dimensional Q-ball configurations are classically stable against linear fluctuations. Three-dimensional gauge-mediated Q-balls can be absolutely stable in the thin-wall limit, but are completely unstable in the thick-wall limit.

  9. Gravitational waves from Q-ball formation

    SciTech Connect

    Chiba, Takeshi; Kamada, Kohei; Yamaguchi, Masahide

    2010-04-15

    We study the detectability of the gravitational waves (GWs) from the Q-ball formation associated with the Affleck-Dine (AD) mechanism, taking into account both the dilution effects due to Q-ball domination and to finite temperature. The AD mechanism predicts the formation of nontopological solitons, Q-balls, from which GWs are generated. Q-balls with large conserved charge Q can produce a large amount of GWs. On the other hand, the decay rate of such Q-balls is so small that they may dominate the energy density of the Universe, which implies that GWs are significantly diluted and that their frequencies are redshifted during the Q-ball dominated era. Thus, the detectability of the GWs associated with the formation of Q-balls is determined by these two competing effects. We find that there is a finite but small parameter region where such GWs may be detected by future detectors such as DECIGO or BBO, only in the case when the thermal logarithmic potential dominates the potential of the AD field. Otherwise GWs from Q-balls would not be detectable even by these futuristic detectors: {Omega}{sub GW}{sup 0}<10{sup -21}. Unfortunately, for such parameter region the present baryon asymmetry of the Universe can hardly be explained unless one fine-tunes A-terms in the potential. However the detection of such a GW background may give us an information about the early Universe, for example, it may suggest that the flat directions with B-L=0 are favored.

  10. CH Packaging Operations Manual

    SciTech Connect

    Washington TRU Solutions LLC

    2003-06-26

    Introduction - This procedure provides instructions for assembling the following CH packaging payload: -Drum payload assembly -Standard Waste Box (SWB) assembly -Ten-Drum Overpack (TDOP).

  11. Silicon ball grid array chip carrier

    DOEpatents

    Palmer, David W.; Gassman, Richard A.; Chu, Dahwey

    2000-01-01

    A ball-grid-array integrated circuit (IC) chip carrier formed from a silicon substrate is disclosed. The silicon ball-grid-array chip carrier is of particular use with ICs having peripheral bond pads which can be reconfigured to a ball-grid-array. The use of a semiconductor substrate such as silicon for forming the ball-grid-array chip carrier allows the chip carrier to be fabricated on an IC process line with, at least in part, standard IC processes. Additionally, the silicon chip carrier can include components such as transistors, resistors, capacitors, inductors and sensors to form a "smart" chip carrier which can provide added functionality and testability to one or more ICs mounted on the chip carrier. Types of functionality that can be provided on the "smart" chip carrier include boundary-scan cells, built-in test structures, signal conditioning circuitry, power conditioning circuitry, and a reconfiguration capability. The "smart" chip carrier can also be used to form specialized or application-specific ICs (ASICs) from conventional ICs. Types of sensors that can be included on the silicon ball-grid-array chip carrier include temperature sensors, pressure sensors, stress sensors, inertia or acceleration sensors, and/or chemical sensors. These sensors can be fabricated by IC processes and can include microelectromechanical (MEM) devices.

  12. Ball State building massive geothermal system

    Energy.gov [DOE]

    Ball State University is building America’s largest ground source district geothermal heating and cooling system. The new operation will save the school millions of dollars, slash greenhouse gases and create jobs. The project will also “expand how America will define the use of geothermal technology on a district-wide scale,” and provide health benefits such as reducing asthma rates for Indiana residents, says Philip Sachtleben, Ball State’s associate vice president of governmental relations. The system will cool and heat nearly 50 buildings on Ball State’s Muncie, Ind., campus, replace four coal-burning boilers and span more than 600 acres. The switch to geothermal will save the university $2.2 million in fuel costs and cut its carbon footprint in half.

  13. Coulomb balls in Experiment and Simulation

    SciTech Connect

    Block, D.; Arp, O.; Piel, A.; Melzer, A.

    2005-10-31

    Recently, it was shown that it is possible to confine spherical dust clouds in a plasma. It was found that these dust clouds have a crystalline structure which differs notably from the well known fcc, bcc and hcp order in extended crystalline systems. The experiments show that the particles arrange in nested shells with hexagonal order on individual shells. The high transparency and the rather slow time scales of Coulomb balls allow to observe individual particles with video microscopy techniques and therefore to determine the structural properties of Coulomb balls with high accuracy. This contribution presents a comparison of experimental results and MD-Simulations.

  14. Bucky20Ball.png | OSTI, US Dept of Energy Office of Scientific and

    Office of Scientific and Technical Information (OSTI)

    Technical Information Bucky20Ball.png

  15. Construction of the noncommutative complex ball

    SciTech Connect

    Wang, Zhituo

    2014-09-15

    We describe the construction of the noncommutative complex ball whose commutative analog is the Hermitian symmetric space D = SU(m, 1)/U(m), with the method of coherent state quantization. In the commutative limit, we obtain the standard manifold. We also consider a quantum field theory model on the noncommutative manifold.

  16. Supersymmetric Q-balls: A numerical study

    SciTech Connect

    Campanelli, L.; Ruggieri, M.

    2008-02-15

    We study numerically a class of nontopological solitons, the Q-balls, arising in a supersymmetric extension of the standard model with low-energy, gauge-mediated symmetry breaking. Taking into account the exact form of the supersymmetric potential giving rise to Q-balls, we find that there is a lower limit on the value of the charge Q in order to make them classically stable: Q > or approx. 5x10{sup 2}Q{sub cr}, where Q{sub cr} is constant depending on the parameters defining the potential and can be in the range 1 < or approx. Q{sub cr} < or approx. 10{sup 8} {sup divide} {sup 16}. If Q is the baryon number, stability with respect to the decay into protons requires Q > or approx. 10{sup 17}Q{sub cr}, while if the gravitino mass is greater then m{sub 3/2} > or approx. 61 MeV, no stable gauge-mediation supersymmetric Q-balls exist. Finally, we find that energy and radius of Q-balls can be parametrized as E{approx}{xi}{sub E}Q{sup 3/4} and R{approx}{xi}{sub R}Q{sup 1/4}, where {xi}{sub E} and {xi}{sub R} are slowly varying functions of the charge.

  17. Stereoscopic Investigations of 3D Coulomb Balls

    SciTech Connect

    Kaeding, Sebastian; Melzer, Andre; Arp, Oliver; Block, Dietmar; Piel, Alexander

    2005-10-31

    In dusty plasmas particles are arranged due to the influence of external forces and the Coulomb interaction. Recently Arp et al. were able to generate 3D spherical dust clouds, so-called Coulomb balls. Here, we present measurements that reveal the full 3D particle trajectories from stereoscopic imaging.

  18. Computed Tomography Analysis of NASA BSTRA Balls

    SciTech Connect

    Perry, R L; Schneberk, D J; Thompson, R R

    2004-10-12

    Fifteen 1.25 inch BSTRA balls were scanned with the high energy computed tomography system at LLNL. This system has a resolution limit of approximately 210 microns. A threshold of 238 microns (two voxels) was used, and no anomalies at or greater than this were observed.

  19. CH Packaging Operations Manual

    SciTech Connect

    Washington TRU Solutions LLC

    2005-06-13

    This procedure provides instructions for assembling the CH Packaging Drum payload assembly, Standard Waste Box (SWB) assembly, Abnormal Operations and ICV and OCV Preshipment Leakage Rate Tests on the packaging seals, using a nondestructive Helium (He) Leak Test.

  20. The effects of ball size distribution on attritor efficiency

    SciTech Connect

    Cook, T.M.; Courtney, T.H.

    1995-09-01

    A study was undertaken to determine how media dynamics are altered when differently sized grinding balls are used in an attritor. Cinematographic techniques identify the extent of segregation/mixing of the differently sized balls within the attritor as a function of impeller rotational velocity and small ball number fraction. This permits determination of rotational velocities needed to most efficiently use the tactic of milling with differently sized media. Cinematographic observations show that the close-packed media array, assumed when balls of the same size are used for milling, is disrupted when differently sized balls are used. Monitoring powder particle numbers as a function of milling time for the situations when the same and differently sized balls are used can be used to assess relative milling efficiencies. Results indicate powder deformation, fracture, and welding are enhanced through employment of differently sized balls. This conclusion is reinforced by observations of microstructural characteristics of powder processed with the different type of media.

  1. Relative locality and the soccer ball problem

    SciTech Connect

    Amelino-Camelia, Giovanni; Freidel, Laurent; Smolin, Lee; Kowalski-Glikman, Jerzy

    2011-10-15

    We consider the behavior of macroscopic bodies within the framework of relative locality [G. Amelino-Camelia, L. Freidel, J. Kowalski-Glikman, and L. Smolin, arXiv:1101.0931]. This is a recent proposal for Planck scale modifications of the relativistic dynamics of particles which are described as arising from deformations in the geometry of momentum space. We consider and resolve a common objection against such proposals, which is that, even if the corrections are small for elementary particles in current experiments, they are huge when applied to composite systems such as soccer balls, planets, and stars, with energies E{sub macro} much larger than M{sub P}. We show that this soccer ball problem does not arise within the framework of relative locality because the nonlinear effects for the dynamics of a composite system with N elementary particles appear at most of order E{sub macro}/N{center_dot}M{sub P}.

  2. Automatic ball bar for a coordinate measuring machine

    DOEpatents

    Jostlein, H.

    1997-07-15

    An automatic ball bar for a coordinate measuring machine determines the accuracy of a coordinate measuring machine having at least one servo drive. The apparatus comprises a first and second gauge ball connected by a telescoping rigid member. The rigid member includes a switch such that inward radial movement of the second gauge ball relative to the first gauge ball causes activation of the switch. The first gauge ball is secured in a first magnetic socket assembly in order to maintain the first gauge ball at a fixed location with respect to the coordinate measuring machine. A second magnetic socket assembly secures the second gauge ball to the arm or probe holder of the coordinate measuring machine. The second gauge ball is then directed by the coordinate measuring machine to move radially inward from a point just beyond the length of the ball bar until the switch is activated. Upon switch activation, the position of the coordinate measuring machine is determined and compared to known ball bar length such that the accuracy of the coordinate measuring machine can be determined. 5 figs.

  3. Automatic ball bar for a coordinate measuring machine

    DOEpatents

    Jostlein, Hans

    1997-01-01

    An automatic ball bar for a coordinate measuring machine determines the accuracy of a coordinate measuring machine having at least one servo drive. The apparatus comprises a first and second gauge ball connected by a telescoping rigid member. The rigid member includes a switch such that inward radial movement of the second gauge ball relative to the first gauge ball causes activation of the switch. The first gauge ball is secured in a first magnetic socket assembly in order to maintain the first gauge ball at a fixed location with respect to the coordinate measuring machine. A second magnetic socket assembly secures the second gauge ball to the arm or probe holder of the coordinate measuring machine. The second gauge ball is then directed by the coordinate measuring machine to move radially inward from a point just beyond the length of the ball bar until the switch is activated. Upon switch activation, the position of the coordinate measuring machine is determined and compared to known ball bar length such that the accuracy of the coordinate measuring machine can be determined.

  4. Confidential balls minimizing in mean convex functional

    SciTech Connect

    Kaminsky, V.

    1994-12-31

    Let H be a Hilbert space, H{sub 0} {contained_in} H be a subspace in it; {Sigma}i{sigma}-algebra of Borel subsets from H{sub 0}, s = s(x, r) is the bal of radius r with the center at the point x {element_of} H and t = t(x, r) is its boundary, a sphere. Let measure {mu} defined on {Sigma} be finite nonnegative and satisfy the following condition: {mu}(H{sub 0}) = 1. By fixing two nonnegative numbers {mu}{sub 0}, where 0 < {mu}{sub 0} < 1, and R > 0, we indicate from {sigma}-algebra {Sigma} the class S = {l_brace}s,(x, r) {element_of} {Sigma}: {mu}(s) {>=} {mu}{sub o}, r {<=} R{r_brace}. Let {var_phi}(x) be a convex eigen functional on H such that it is bounded on each ball s {element_of} S{sub 0}. It is possible to introduce an averaging functional for each ball s {element_of} S {Phi}(s) = {sub {mu}(s)}{sup 1} {integral}{sub s(x, r)} {var_phi}(y){mu}(dy) = {sub {mu}(s(x, r))}{sup 1} {integral}{sub s({theta}, r)} {var_phi}(x + {xi}){mu}(d{xi}) = F(x, r) and to consider the following extremal problem {Phi}(s) {yields} inf{sub s{epsilon}S}. We can interpret such a formulation of the problem as an extremal problem with confidential condition ({mu}s) {>=} {mu}{sub 0}. It is possible to consider the formulations of problem of such type in order to generalize the classical problems in mathematical programming in which now we find an extremal subset of an extremal element. The following results are obtained: theorems about existence of an extremal ball, necessary condition for a ball to be extremal in problems of such types, sufficient conditions of extremality of the ball by stronger restrictions on functional and measure in the problem.

  5. Ground states of baryoleptonic Q-balls in supersymmetric models

    SciTech Connect

    Shoemaker, Ian M.; Kusenko, Alexander

    2008-10-01

    In supersymmetric generalizations of the standard model, all stable Q-balls are associated with some flat directions. We show that, if the flat direction has both the baryon number and the lepton number, the scalar field inside the Q-ball can deviate slightly from the flat direction in the ground state. We identify the true ground states of such nontopological solitons, including the electrically neutral and electrically charged Q-balls.

  6. Experiments on Structure and Trapping of Coulomb balls

    SciTech Connect

    Block, D.; Arp, O.; Piel, A.; Melzer, A.

    2006-10-18

    This paper gives a survey of recent experiments on Coulomb balls. Starting with typical observations to introduce the Coulomb ball experiment and its diagnostic potential, their structural properties are discussed. Further, the trapping mechanism for the dust is quantified to allow for a systematic comparison of experiment and simulations. Finally, the presented results focus on the question how screening influences the structural properties and how Coulomb balls and other strongly coupled systems are related.

  7. Ball-grid array architecture for microfabricated ion traps (Journal...

    Office of Scientific and Technical Information (OSTI)

    Ball-grid array architecture for microfabricated ion traps Citation Details In-Document ... Country of Publication: United States Language: English Subject: 71 CLASSICAL AND QUANTUM ...

  8. {gamma} parameter and Solar System constraint in chameleon-Brans-Dicke theory

    SciTech Connect

    Saaidi, Kh.; Mohammadi, A.; Sheikhahmadi, H.

    2011-05-15

    The post Newtonian parameter is considered in the chameleon-Brans-Dicke model. In the first step, the general form of this parameter and also effective gravitational constant is obtained. An arbitrary function for f({Phi}), which indicates the coupling between matter and scalar field, is introduced to investigate validity of solar system constraint. It is shown that the chameleon-Brans-Dicke model can satisfy the solar system constraint and gives us an {omega} parameter of order 10{sup 4}, which is in comparable to the constraint which has been indicated in [19].

  9. Charmonium studies with the crystal ball

    SciTech Connect

    Oreglia, M.

    1980-06-01

    The Crystal Ball detector at SPEAR is used to analyze the decays psi' ..-->.. ..gamma gamma..psi and psi' ..-->.. ..gamma..chi,chi ..-->.. ..gamma gamma... Values are obtained for the branching ratios of psi' ..-->.. eta/..mu../sup 0/psi and psi' ..-->.. ..gamma..chi,chi ..-->.. ..gamma..psi. No evidence is found for a 2/sup 1/S/sub 0/(eta'c) state in the mass range 3129 ..-->.. 3644 MeV/c/sup 2/. Analysis of the angular distributions in the cascade chi decays yields spin and multipole assignments for the chi(3.51) and chi(3.55).

  10. Ball State Completes Largest U.S. Ground-Source Geothermal System...

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    Ball State Completes Largest U.S. Ground-Source Geothermal System Ball State Completes Largest U.S. Ground-Source Geothermal System April 4, 2012 - 3:19pm Addthis Ball State ...

  11. CH-TRUCON Rev. 21, January 2008

    Office of Environmental Management (EM)

    DOEWIPP 01-3194 Rev. 21 CH-TRU WASTE CONTENT CODES (CH-TRUCON) Revision 21 January 2008 ... 01-3194 2 DOEWIPP 01-3194 Rev. 21 CH-TRU WASTE CONTENT CODES (CH-TRUCON) Revision 21 ...

  12. Dynamics of Q-balls in an expanding universe

    SciTech Connect

    Palti, Eran; Saffin, P.M.; Copeland, E.J.

    2004-10-15

    We analyze the evolution of light Q-balls in a cosmological background, and find a number of interesting features. For Q-balls formed with a size comparable to the Hubble radius, we demonstrate that there is no charge radiation, and that the Q-ball maintains a constant physical radius. Large expansion rates cause charge migration to the surface of the Q-ball, corresponding to a nonhomogeneous internal rotation frequency. We argue that this is an important phenomenon as it leads to a large surface charge and possible fragmentation of the Q-ball. We also explore the deviation of the Q-ball profile function from the static case. By introducing a parameter {epsilon}, which is the ratio of the Hubble parameter to the frequency of oscillation of the Q-ball field, and using solutions to an analytically approximated equation for the profile function, we determine the dependence of the new features on the expansion rate. This allows us to gain an understanding of when they should be considered and when they can be neglected, thereby placing restrictions on the existence of homogeneous Q-balls in expanding backgrounds.

  13. Resonant frequency method for bearing ball inspection

    DOEpatents

    Khuri-Yakub, B.T.; Chungkao Hsieh.

    1993-11-02

    The present invention provides for an inspection system and method for detecting defects in test objects which includes means for generating expansion inducing energy focused upon the test object at a first location, such expansion being allowed to contract, thereby causing pressure wave within and on the surface of the test object. Such expansion inducing energy may be provided by, for example, a laser beam or ultrasonic energy. At a second location, the amplitudes and phases of the acoustic waves are detected and the resonant frequencies' quality factors are calculated and compared to predetermined quality factor data, such comparison providing information of whether the test object contains a defect. The inspection system and method also includes means for mounting the bearing ball for inspection. 5 figures.

  14. Resonant frequency method for bearing ball inspection

    DOEpatents

    Khuri-Yakub, B. T.; Hsieh, Chung-Kao

    1993-01-01

    The present invention provides for an inspection system and method for detecting defects in test objects which includes means for generating expansion inducing energy focused upon the test object at a first location, such expansion being allowed to contract, thereby causing pressure wave within and on the surface of the test object. Such expansion inducing energy may be provided by, for example, a laser beam or ultrasonic energy. At a second location, the amplitudes and phases of the acoustic waves are detected and the resonant frequencies' quality factors are calculated and compared to predetermined quality factor data, such comparison providing information of whether the test object contains a defect. The inspection system and method also includes means for mounting the bearing ball for inspection.

  15. Neutron detection using a crystal ball calorimeter

    SciTech Connect

    Martem’yanov, M. A. Kulikov, V. V.; Krutenkova, A. P.

    2015-12-15

    The program of experiments of the A2 Collaboration performed on a beam of tagged photons of the MAMI electron microtron in Mainz (Germany) includes precision measurements of the total and differential cross sections of the pion photoproduction on neutrons of a deuterium target. The determination of the detector ability to detect neutrons is undoubtedly one of the important problems of the experiment. The calorimetric system of the detector contains a segmented NaI Crystal Ball detector, which gives information about the position, energy, and detection time of neutral and charged particles in a wide angular range. In this work, we describe the measurement of the neutron detection efficiency in the energy range from 20 to 400MeV. The results are compared with BNL data obtained on a pion beam and proton target.

  16. How does gravity save or kill Q-balls?

    SciTech Connect

    Tamaki, Takashi; Sakai, Nobuyuki

    2011-02-15

    We explore stability of gravitating Q-balls with potential V{sub 4}({phi})=(m{sup 2}/2){phi}{sup 2}-{lambda}{phi}{sup 4}+({phi}{sup 6}/M{sup 2}) via catastrophe theory, as an extension of our previous work on Q-balls with potential V{sub 3}({phi})=(m{sup 2}/2){phi}{sup 2}-{mu}{phi}{sup 3}+{lambda}{phi}{sup 4}. In flat spacetime Q-balls with V{sub 4} in the thick-wall limit are unstable and there is a minimum charge Q{sub min}, where Q-balls with Qballs with arbitrarily small charge, no matter how weak gravity is. That is, gravity saves Q-balls with small charge. We also show how stability of Q-balls changes as gravity becomes strong.

  17. Defects Detection on Silicon Nitride Balls by Laser Ultrasonics

    SciTech Connect

    Lemaire, M.; Ouaftouh, M.; Duquennoy, M.; Jenot, F.; Ourak, M.

    2005-04-09

    In this work, we study the generation and the detection of surface waves on silicon nitride balls a few millimetres in diameter. The excitation of these waves is carried out thanks to a pulsed laser YAG and their detection is achieved with a laser interferometric probe. The whole of the device requires neither coupling nor direct contact with the balls. These waves are then used for the analysis of defects close to the surface of the balls. Several measurements are carried out on samples presenting various defects. Correlation attempts are also carried out between some ultrasonic parameters and some characteristics of defects.

  18. Q -Ball Candidates for Self-Interacting Dark Matter

    SciTech Connect

    Kusenko, Alexander; Steinhardt, Paul J.

    2001-10-01

    We show that nontopological solitons, known as Q-balls, are promising candidates for self-interacting dark matter. They can satisfy the cross-section requirements for a broad range of masses. Unlike previously considered examples, Q-balls can stick together after collision, reducing the effective self-interaction rate to a negligible value after a few collisions per particle. This feature modifies predictions for halo formation. We also discuss the possibility that Q-balls have large interaction cross sections with ordinary matter.

  19. Peakons and Q-balls in the baby Skyrme model

    SciTech Connect

    Lis, Jakub

    2011-10-15

    In this paper, we investigate the Q-ball Ansatz in the baby Skyrme model. First, the appearance of peakons, i.e. solutions with extremely large absolute values of the second derivative at maxima, is analyzed. It is argued that such solutions are intrinsic to the baby Skyrme model and do not depend on the detailed form of a potential used in calculations. Next, we concentrate on compact nonspinning Q-balls. We show the failure of a small parameter expansion in this case. Finally, we explore the existence and parameter dependence of Q-ball solutions.

  20. CH-TRU Waste Content Codes (CH-TRUCON)

    SciTech Connect

    Washington TRU Solutions LLC

    2004-10-01

    The CH-TRU Waste Content Codes (CH-TRUCON) document describes the inventory of the U.S. Department of Energy (DOE) CH-TRU waste within the transportation parameters specified by the Contact-Handled Transuranic Waste Authorized Methods for Payload Control (CH-TRAMPAC). The CH-TRAMPAC defines the allowable payload for the Transuranic Package Transporter-II (TRUPACT-II) and HalfPACT packagings. This document is a catalog of TRUPACT-II and HalfPACT authorized contents and a description of the methods utilized to demonstrate compliance with the CH-TRAMPAC. A summary of currently approved content codes by site is presented in Table 1. The CH-TRAMPAC describes "shipping categories" that are assigned to each payload container. Multiple shipping categories may be assigned to a single content code. A summary of approved content codes and corresponding shipping categories is provided in Table 2, which consists of Tables 2A, 2B, and 2C. Table 2A provides a summary of approved content codes and corresponding shipping categories for the "General Case," which reflects the assumption of a 60-day shipping period as described in the CH-TRAMPAC and Appendix 3.4 of the CH-TRU Payload Appendices. For shipments to be completed within an approximately 1,000-mile radius, a shorter shipping period of 20 days is applicable as described in the CH-TRAMPAC and Appendix 3.5 of the CH-TRU Payload Appendices. For shipments to WIPP from Los Alamos National Laboratory (LANL), Nevada Test Site, and Rocky Flats Environmental Technology Site, a 20-day shipping period is applicable. Table 2B provides a summary of approved content codes and corresponding shipping categories for "Close-Proximity Shipments" (20-day shipping period). For shipments implementing the controls specified in the CH-TRAMPAC and Appendix 3.6 of the CH-TRU Payload Appendices, a 10-day shipping period is applicable. Table 2C provides a summary of approved content codes and corresponding shipping categories for "Controlled Shipments

  1. CH-TRU Waste Content Codes (CH TRUCON)

    SciTech Connect

    Washington TRU Solutions LLC

    2004-12-01

    The CH-TRU Waste Content Codes (CH-TRUCON) document describes the inventory of the U.S. Department of Energy (DOE) CH-TRU waste within the transportation parameters specified by the Contact-Handled Transuranic Waste Authorized Methods for Payload Control (CH-TRAMPAC). The CH-TRAMPAC defines the allowable payload for the Transuranic Package Transporter-II (TRUPACT-II) and HalfPACT packagings. This document is a catalog of TRUPACT-II and HalfPACT authorized contents and a description of the methods utilized to demonstrate compliance with the CH-TRAMPAC. A summary of currently approved content codes by site is presented in Table 1. The CH-TRAMPAC describes "shipping categories" that are assigned to each payload container. Multiple shipping categories may be assigned to a single content code. A summary of approved content codes and corresponding shipping categories is provided in Table 2, which consists of Tables 2A, 2B, and 2C. Table 2A provides a summary of approved content codes and corresponding shipping categories for the "General Case," which reflects the assumption of a 60-day shipping period as described in the CH-TRAMPAC and Appendix 3.4 of the CH-TRU Payload Appendices. For shipments to be completed within an approximately 1,000-mile radius, a shorter shipping period of 20 days is applicable as described in the CH-TRAMPAC and Appendix 3.5 of the CH-TRU Payload Appendices. For shipments to WIPP from Los Alamos National Laboratory (LANL), Nevada Test Site, and Rocky Flats Environmental Technology Site, a 20-day shipping period is applicable. Table 2B provides a summary of approved content codes and corresponding shipping categories for "Close-Proximity Shipments" (20-day shipping period). For shipments implementing the controls specified in the CH-TRAMPAC and Appendix 3.6 of the CH-TRU Payload Appendices, a 10-day shipping period is applicable. Table 2C provides a summary of approved content codes and corresponding shipping categories for "Controlled Shipments

  2. CH-TRU Waste Content Codes (CH-TRUCON)

    SciTech Connect

    Washington TRU Solutions LLC

    2005-03-15

    The CH-TRU Waste Content Codes (CH-TRUCON) document describes the inventory of the U.S. Department of Energy (DOE) CH-TRU waste within the transportation parameters specified by the Contact-Handled Transuranic Waste Authorized Methods for Payload Control (CH-TRAMPAC). The CH-TRAMPAC defines the allowable payload for the Transuranic Package Transporter-II (TRUPACT-II) and HalfPACT packagings. This document is a catalog of TRUPACT-II and HalfPACT authorized contents and a description of the methods utilized to demonstrate compliance with the CH-TRAMPAC. A summary of currently approved content codes by site is presented in Table 1. The CH-TRAMPAC describes "shipping categories" that are assigned to each payload container. Multiple shipping categories may be assigned to a single content code. A summary of approved content codes and corresponding shipping categories is provided in Table 2, which consists of Tables 2A, 2B, and 2C. Table 2A provides a summary of approved content codes and corresponding shipping categories for the "General Case," which reflects the assumption of a 60-day shipping period as described in the CH-TRAMPAC and Appendix 3.4 of the CH-TRU Payload Appendices. For shipments to be completed within an approximately 1,000-mile radius, a shorter shipping period of 20 days is applicable as described in the CH-TRAMPAC and Appendix 3.5 of the CH-TRU Payload Appendices. For shipments to WIPP from Los Alamos National Laboratory (LANL), Nevada Test Site, and Rocky Flats Environmental Technology Site, a 20-day shipping period is applicable. Table 2B provides a summary of approved content codes and corresponding shipping categories for "Close-Proximity Shipments" (20-day shipping period). For shipments implementing the controls specified in the CH-TRAMPAC and Appendix 3.6 of the CH-TRU Payload Appendices, a 10-day shipping period is applicable. Table 2C provides a summary of approved content codes and corresponding shipping categories for "Controlled Shipments

  3. CH-TRU Waste Content Codes (CH-TRUCON)

    SciTech Connect

    Washington TRU Solutions LLC

    2005-01-15

    The CH-TRU Waste Content Codes (CH-TRUCON) document describes the inventory of the U.S. Department of Energy (DOE) CH-TRU waste within the transportation parameters specified by the Contact-Handled Transuranic Waste Authorized Methods for Payload Control (CH-TRAMPAC). The CH-TRAMPAC defines the allowable payload for the Transuranic Package Transporter-II (TRUPACT-II) and HalfPACT packagings. This document is a catalog of TRUPACT-II and HalfPACT authorized contents and a description of the methods utilized to demonstrate compliance with the CH-TRAMPAC. A summary of currently approved content codes by site is presented in Table 1. The CH-TRAMPAC describes "shipping categories" that are assigned to each payload container. Multiple shipping categories may be assigned to a single content code. A summary of approved content codes and corresponding shipping categories is provided in Table 2, which consists of Tables 2A, 2B, and 2C. Table 2A provides a summary of approved content codes and corresponding shipping categories for the "General Case," which reflects the assumption of a 60-day shipping period as described in the CH-TRAMPAC and Appendix 3.4 of the CH-TRU Payload Appendices. For shipments to be completed within an approximately 1,000-mile radius, a shorter shipping period of 20 days is applicable as described in the CH-TRAMPAC and Appendix 3.5 of the CH-TRU Payload Appendices. For shipments to WIPP from Los Alamos National Laboratory (LANL), Nevada Test Site, and Rocky Flats Environmental Technology Site, a 20-day shipping period is applicable. Table 2B provides a summary of approved content codes and corresponding shipping categories for "Close-Proximity Shipments" (20-day shipping period). For shipments implementing the controls specified in the CH-TRAMPAC and Appendix 3.6 of the CH-TRU Payload Appendices, a 10-day shipping period is applicable. Table 2C provides a summary of approved content codesand corresponding shipping categories for "Controlled Shipments

  4. CH-TRU Waste Content Codes (CH-TRUCON)

    SciTech Connect

    Washington TRU Solutions LLC

    2005-01-30

    The CH-TRU Waste Content Codes (CH-TRUCON) document describes the inventory of the U.S. Department of Energy (DOE) CH-TRU waste within the transportation parameters specified by the Contact-Handled Transuranic Waste Authorized Methods for Payload Control (CH-TRAMPAC). The CH-TRAMPAC defines the allowable payload for the Transuranic Package Transporter-II (TRUPACT-II) and HalfPACT packagings. This document is a catalog of TRUPACT-II and HalfPACT authorized contents and a description of the methods utilized to demonstrate compliance with the CH-TRAMPAC. A summary of currently approved content codes by site is presented in Table 1. The CH-TRAMPAC describes "shipping categories" that are assigned to each payload container. Multiple shipping categories may be assigned to a single content code. A summary of approved content codes and corresponding shipping categories is provided in Table 2, which consists of Tables 2A, 2B, and 2C. Table 2A provides a summary of approved content codes and corresponding shipping categories for the "General Case," which reflects the assumption of a 60-day shipping period as described in the CH-TRAMPAC and Appendix 3.4 of the CH-TRU Payload Appendices. For shipments to be completed within an approximately 1,000-mile radius, a shorter shipping period of 20 days is applicable as described in the CH-TRAMPAC and Appendix 3.5 of the CH-TRU Payload Appendices. For shipments to WIPP from Los Alamos National Laboratory (LANL), Nevada Test Site, and Rocky Flats Environmental Technology Site, a 20-day shipping period is applicable. Table 2B provides a summary of approved content codes and corresponding shipping categories for "Close-Proximity Shipments" (20-day shipping period). For shipments implementing the controls specified in the CH-TRAMPAC and Appendix 3.6 of the CH-TRU Payload Appendices, a 10-day shipping period is applicable. Table 2C provides a summary of approved content codes and corresponding shipping categories for "Controlled Shipments

  5. CH-TRU Waste Content Codes (CH-TRUCON)

    SciTech Connect

    Washington TRU Solutions LLC

    2006-06-20

    The CH-TRU Waste Content Codes (CH-TRUCON) document describes the inventory of the U.S. Department of Energy (DOE) CH-TRU waste within the transportation parameters specified by the Contact-Handled Transuranic Waste Authorized Methods for Payload Control (CH-TRAMPAC). The CH-TRAMPAC defines the allowable payload for the Transuranic Package Transporter-II (TRUPACT-II) and HalfPACT packagings. This document is a catalog of TRUPACT-II and HalfPACT authorized contents and a description of the methods utilized to demonstrate compliance with the CH-TRAMPAC. A summary of currently approved content codes by site is presented in Table 1. The CH-TRAMPAC describes "shipping categories" that are assigned to each payload container. Multiple shipping categories may be assigned to a single content code. A summary of approved content codes and corresponding shipping categories is provided in Table 2, which consists of Tables 2A, 2B, and 2C. Table 2A provides a summary of approved content codes and corresponding shipping categories for the "General Case," which reflects the assumption of a 60-day shipping period as described in the CH-TRAMPAC and Appendix 3.4 of the CH-TRU Payload Appendices. For shipments to be completed within an approximately 1,000-mile radius, a shorter shipping period of 20 days is applicable as described in the CH-TRAMPAC and Appendix 3.5 of the CH-TRU Payload Appendices. For shipments to WIPP from Los Alamos National Laboratory (LANL), Nevada Test Site, and Rocky Flats Environmental Technology Site, a 20-day shipping period is applicable. Table 2B provides a summary of approved content codes and corresponding shipping categories for "Close-Proximity Shipments" (20-day shipping period). For shipments implementing the controls specified in the CH-TRAMPAC and Appendix 3.6 of the CH-TRU Payload Appendices, a 10-day shipping period is applicable. Table 2C provides a summary of approved content codes and corresponding shipping categories for "Controlled Shipments

  6. CH-TRU Waste Content Codes (CH-TRUCON)

    SciTech Connect

    Washington TRU Solutions LLC

    2006-12-20

    The CH-TRU Waste Content Codes (CH-TRUCON) document describes the inventory of the U.S. Department of Energy (DOE) CH-TRU waste within the transportation parameters specified by the Contact-Handled Transuranic Waste Authorized Methods for Payload Control (CH-TRAMPAC). The CH-TRAMPAC defines the allowable payload for the Transuranic Package Transporter-II (TRUPACT-II) and HalfPACT packagings. This document is a catalog of TRUPACT-II and HalfPACT authorized contents and a description of the methods utilized to demonstrate compliance with the CH-TRAMPAC. A summary of currently approved content codes by site is presented in Table 1. The CH-TRAMPAC describes "shipping categories" that are assigned to each payload container. Multiple shipping categories may be assigned to a single content code. A summary of approved content codes and corresponding shipping categories is provided in Table 2, which consists of Tables 2A, 2B, and 2C. Table 2A provides a summary of approved content codes and corresponding shipping categories for the "General Case," which reflects the assumption of a 60-day shipping period as described in the CH-TRAMPAC and Appendix 3.4 of the CH-TRU Payload Appendices. For shipments to be completed within an approximately 1,000-mile radius, a shorter shipping period of 20 days is applicable as described in the CH-TRAMPAC and Appendix 3.5 of the CH-TRU Payload Appendices. For shipments to WIPP from Los Alamos National Laboratory (LANL), Nevada Test Site, and Rocky Flats Environmental Technology Site, a 20-day shipping period is applicable. Table 2B provides a summary of approved content codes and corresponding shipping categories for "Close-Proximity Shipments" (20-day shipping period). For shipments implementing the controls specified in the CH-TRAMPAC and Appendix 3.6 of the CH-TRU Payload Appendices, a 10-day shipping period is applicable. Table 2C provides a summary of approved content codes and corresponding shipping categories for "Controlled Shipments

  7. CH-TRU Waste Content Codes (CH-TRUCON)

    SciTech Connect

    Washington TRU Solutions LLC

    2005-06-20

    The CH-TRU Waste Content Codes (CH-TRUCON) document describes the inventory of the U.S. Department of Energy (DOE) CH-TRU waste within the transportation parameters specified by the Contact-Handled Transuranic Waste Authorized Methods for Payload Control (CH-TRAMPAC). The CH-TRAMPAC defines the allowable payload for the Transuranic Package Transporter-II (TRUPACT-II) and HalfPACT packagings. This document is a catalog of TRUPACT-II and HalfPACT authorized contents and a description of the methods utilized to demonstrate compliance with the CH-TRAMPAC. A summary of currently approved content codes by site is presented in Table 1. The CH-TRAMPAC describes "shipping categories" that are assigned to each payload container. Multiple shipping categories may be assigned to a single content code. A summary of approved content codes and corresponding shipping categories is provided in Table 2, which consists of Tables 2A, 2B, and 2C. Table 2A provides a summary of approved content codes and corresponding shipping categories for the "General Case," which reflects the assumption of a 60-day shipping period as described in the CH-TRAMPAC and Appendix 3.4 of the CH-TRU Payload Appendices. For shipments to be completed within an approximately 1,000-mile radius, a shorter shipping period of 20 days is applicable as described in the CH-TRAMPAC and Appendix 3.5 of the CH-TRU Payload Appendices. For shipments to WIPP from Los Alamos National Laboratory (LANL), Nevada Test Site, and Rocky Flats Environmental Technology Site, a 20-day shipping period is applicable. Table 2B provides a summary of approved content codes and corresponding shipping categories for "Close-Proximity Shipments" (20-day shipping period). For shipments implementing the controls specified in the CH-TRAMPAC and Appendix 3.6 of the CH-TRU Payload Appendices, a 10-day shipping period is applicable. Table 2C provides a summary of approved content codes and corresponding shipping categories for "Controlled Shipments

  8. CH-TRU Waste Content Codes (CH-TRUCON)

    SciTech Connect

    Washington TRU Solutions LLC

    2007-09-20

    The CH-TRU Waste Content Codes (CH-TRUCON) document describes the inventory of the U.S. Department of Energy (DOE) CH-TRU waste within the transportation parameters specified by the Contact-Handled Transuranic Waste Authorized Methods for Payload Control (CH-TRAMPAC). The CH-TRAMPAC defines the allowable payload for the Transuranic Package Transporter-II (TRUPACT-II) and HalfPACT packagings. This document is a catalog of TRUPACT-II and HalfPACT authorized contents and a description of the methods utilized to demonstrate compliance with the CH-TRAMPAC. A summary of currently approved content codes by site is presented in Table 1. The CH-TRAMPAC describes "shipping categories" that are assigned to each payload container. Multiple shipping categories may be assigned to a single content code. A summary of approved content codes and corresponding shipping categories is provided in Table 2, which consists of Tables 2A, 2B, and 2C. Table 2A provides a summary of approved content codes and corresponding shipping categories for the "General Case," which reflects the assumption of a 60-day shipping period as described in the CH-TRAMPAC and Appendix 3.4 of the CH-TRU Payload Appendices. For shipments to be completed within an approximately 1,000-mile radius, a shorter shipping period of 20 days is applicable as described in the CH-TRAMPAC and Appendix 3.5 of the CH-TRU Payload Appendices. For shipments to WIPP from Los Alamos National Laboratory (LANL), Nevada Test Site, and Rocky Flats Environmental Technology Site, a 20-day shipping period is applicable. Table 2B provides a summary of approved content codes and corresponding shipping categories for "Close-Proximity Shipments" (20-day shipping period). For shipments implementing the controls specified in the CH-TRAMPAC and Appendix 3.6 of the CH-TRU Payload Appendices, a 10-day shipping period is applicable. Table 2C provides a summary of approved content codes and corresponding shipping categories for "Controlled Shipments

  9. CH-TRU Waste Content Codes (CH-TRUCON)

    SciTech Connect

    Washington TRU Solutions LLC

    2005-05-01

    The CH-TRU Waste Content Codes (CH-TRUCON) document describes the inventory of the U.S. Department of Energy (DOE) CH-TRU waste within the transportation parameters specified by the Contact-Handled Transuranic Waste Authorized Methods for Payload Control (CH-TRAMPAC). The CH-TRAMPAC defines the allowable payload for the Transuranic Package Transporter-II (TRUPACT-II) and HalfPACT packagings. This document is a catalog of TRUPACT-II and HalfPACT authorized contents and a description of the methods utilized to demonstrate compliance with the CH-TRAMPAC. A summary of currently approved content codes by site is presented in Table 1. The CH-TRAMPAC describes "shipping categories" that are assigned to each payload container. Multiple shipping categories may be assigned to a single content code. A summary of approved content codes and corresponding shipping categories is provided in Table 2, which consists of Tables 2A, 2B, and 2C. Table 2A provides a summary of approved content codes and corresponding shipping categories for the "General Case," which reflects the assumption of a 60-day shipping period as described in the CH-TRAMPAC and Appendix 3.4 of the CH-TRU Payload Appendices. For shipments to be completed within an approximately 1,000-mile radius, a shorter shipping period of 20 days is applicable as described in the CH-TRAMPAC and Appendix 3.5 of the CH-TRU Payload Appendices. For shipments to WIPP from Los Alamos National Laboratory (LANL), Nevada Test Site, and Rocky Flats Environmental Technology Site, a 20-day shipping period is applicable. Table 2B provides a summary of approved content codes and corresponding shipping categories for "Close-Proximity Shipments" (20-day shipping period). For shipments implementing the controls specified in the CH-TRAMPAC and Appendix 3.6 of the CH-TRU Payload Appendices, a 10-day shipping period is applicable. Table 2C provides a summary of approved content codes and corresponding shipping categories for "Controlled Shipments

  10. CH-TRU Waste Content Codes (CH-TRUCON)

    SciTech Connect

    Washington TRU Solutions LLC

    2006-01-18

    The CH-TRU Waste Content Codes (CH-TRUCON) document describes the inventory of the U.S. Department of Energy (DOE) CH-TRU waste within the transportation parameters specified by the Contact-Handled Transuranic Waste Authorized Methods for Payload Control (CH-TRAMPAC). The CH-TRAMPAC defines the allowable payload for the Transuranic Package Transporter-II (TRUPACT-II) and HalfPACT packagings. This document is a catalog of TRUPACT-II and HalfPACT authorized contents and a description of the methods utilized to demonstrate compliance with the CH-TRAMPAC. A summary of currently approved content codes by site is presented in Table 1. The CH-TRAMPAC describes "shipping categories" that are assigned to each payload container. Multiple shipping categories may be assigned to a single content code. A summary of approved content codes and corresponding shipping categories is provided in Table 2, which consists of Tables 2A, 2B, and 2C. Table 2A provides a summary of approved content codes and corresponding shipping categories for the "General Case," which reflects the assumption of a 60-day shipping period as described in the CH-TRAMPAC and Appendix 3.4 of the CH-TRU Payload Appendices. For shipments to be completed within an approximately 1,000-mile radius, a shorter shipping period of 20 days is applicable as described in the CH-TRAMPAC and Appendix 3.5 of the CH-TRU Payload Appendices. For shipments to WIPP from Los Alamos National Laboratory (LANL), Nevada Test Site, and Rocky Flats Environmental Technology Site, a 20-day shipping period is applicable. Table 2B provides a summary of approved content codes and corresponding shipping categories for "Close-Proximity Shipments" (20-day shipping period). For shipments implementing the controls specified in the CH-TRAMPAC and Appendix 3.6 of the CH-TRU Payload Appendices, a 10-day shipping period is applicable. Table 2C provides a summary of approved content codes and corresponding shipping categories for "Controlled Shipments

  11. CH-TRU Waste Content Codes (CH-TRUCON)

    SciTech Connect

    Washington TRU Solutions LLC

    2007-02-15

    The CH-TRU Waste Content Codes (CH-TRUCON) document describes the inventory of the U.S. Department of Energy (DOE) CH-TRU waste within the transportation parameters specified by the Contact-Handled Transuranic Waste Authorized Methods for Payload Control (CH-TRAMPAC). The CH-TRAMPAC defines the allowable payload for the Transuranic Package Transporter-II (TRUPACT-II) and HalfPACT packagings. This document is a catalog of TRUPACT-II and HalfPACT authorized contents and a description of the methods utilized to demonstrate compliance with the CH-TRAMPAC. A summary of currently approved content codes by site is presented in Table 1. The CH-TRAMPAC describes "shipping categories" that are assigned to each payload container. Multiple shipping categories may be assigned to a single content code. A summary of approved content codes and corresponding shipping categories is provided in Table 2, which consists of Tables 2A, 2B, and 2C. Table 2A provides a summary of approved content codes and corresponding shipping categories for the "General Case," which reflects the assumption of a 60-day shipping period as described in the CH-TRAMPAC and Appendix 3.4 of the CH-TRU Payload Appendices. For shipments to be completed within an approximately 1,000-mile radius, a shorter shipping period of 20 days is applicable as described in the CH-TRAMPAC and Appendix 3.5 of the CH-TRU Payload Appendices. For shipments to WIPP from Los Alamos National Laboratory (LANL), Nevada Test Site, and Rocky Flats Environmental Technology Site, a 20-day shipping period is applicable. Table 2B provides a summary of approved content codes and corresponding shipping categories for "Close-Proximity Shipments" (20-day shipping period). For shipments implementing the controls specified in the CH-TRAMPAC and Appendix 3.6 of the CH-TRU Payload Appendices, a 10-day shipping period is applicable. Table 2C provides a summary of approved content codes and corresponding shipping categories for "Controlled Shipments

  12. CH-TRU Waste Content Codes (CH-TRUCON)

    SciTech Connect

    Washington TRU Solutions LLC

    2005-08-15

    The CH-TRU Waste Content Codes (CH-TRUCON) document describes the inventory of the U.S. Department of Energy (DOE) CH-TRU waste within the transportation parameters specified by the Contact-Handled Transuranic Waste Authorized Methods for Payload Control (CH-TRAMPAC). The CH-TRAMPAC defines the allowable payload for the Transuranic Package Transporter-II (TRUPACT-II) and HalfPACT packagings. This document is a catalog of TRUPACT-II and HalfPACT authorized contents and a description of the methods utilized to demonstrate compliance with the CH-TRAMPAC. A summary of currently approved content codes by site is presented in Table 1. The CH-TRAMPAC describes "shipping categories" that are assigned to each payload container. Multiple shipping categories may be assigned to a single content code. A summary of approved content codes and corresponding shipping categories is provided in Table 2, which consists of Tables 2A, 2B, and 2C. Table 2A provides a summary of approved content codes and corresponding shipping categories for the "General Case," which reflects the assumption of a 60-day shipping period as described in the CH-TRAMPAC and Appendix 3.4 of the CH-TRU Payload Appendices. For shipments to be completed within an approximately 1,000-mile radius, a shorter shipping period of 20 days is applicable as described in the CH-TRAMPAC and Appendix 3.5 of the CH-TRU Payload Appendices. For shipments to WIPP from Los Alamos National Laboratory (LANL), Nevada Test Site, and Rocky Flats Environmental Technology Site, a 20-day shipping period is applicable. Table 2B provides a summary of approved content codes and corresponding shipping categories for "Close-Proximity Shipments" (20-day shipping period). For shipments implementing the controls specified in the CH-TRAMPAC and Appendix 3.6 of the CH-TRU Payload Appendices, a 10-day shipping period is applicable. Table 2C provides a summary of approved content codes and corresponding shipping categories for "Controlled Shipments

  13. CH-TRU Waste Content Codes (CH-TRUCON)

    SciTech Connect

    Washington TRU Solutions LLC

    2005-12-15

    The CH-TRU Waste Content Codes (CH-TRUCON) document describes the inventory of the U.S. Department of Energy (DOE) CH-TRU waste within the transportation parameters specified by the Contact-Handled Transuranic Waste Authorized Methods for Payload Control (CH-TRAMPAC). The CH-TRAMPAC defines the allowable payload for the Transuranic Package Transporter-II (TRUPACT-II) and HalfPACT packagings. This document is a catalog of TRUPACT-II and HalfPACT authorized contents and a description of the methods utilized to demonstrate compliance with the CH-TRAMPAC. A summary of currently approved content codes by site is presented in Table 1. The CH-TRAMPAC describes "shipping categories" that are assigned to each payload container. Multiple shipping categories may be assigned to a single content code. A summary of approved content codes and corresponding shipping categories is provided in Table 2, which consists of Tables 2A, 2B, and 2C. Table 2A provides a summary of approved content codes and corresponding shipping categories for the "General Case," which reflects the assumption of a 60-day shipping period as described in the CH-TRAMPAC and Appendix 3.4 of the CH-TRU Payload Appendices. For shipments to be completed within an approximately 1,000-mile radius, a shorter shipping period of 20 days is applicable as described in the CH-TRAMPAC and Appendix 3.5 of the CH-TRU Payload Appendices. For shipments to WIPP from Los Alamos National Laboratory (LANL), Nevada Test Site, and Rocky Flats Environmental Technology Site, a 20-day shipping period is applicable. Table 2B provides a summary of approved content codes and corresponding shipping categories for "Close-Proximity Shipments" (20-day shipping period). For shipments implementing the controls specified in the CH-TRAMPAC and Appendix 3.6 of the CH-TRU Payload Appendices, a 10-day shipping period is applicable. Table 2C provides a summary of approved content codes and corresponding shipping categories for "Controlled Shipments

  14. CH-TRU Waste Content Codes (CH-TRUCON)

    SciTech Connect

    Washington TRU Solutions LLC

    2007-08-15

    The CH-TRU Waste Content Codes (CH-TRUCON) document describes the inventory of the U.S. Department of Energy (DOE) CH-TRU waste within the transportation parameters specified by the Contact-Handled Transuranic Waste Authorized Methods for Payload Control (CH-TRAMPAC). The CH-TRAMPAC defines the allowable payload for the Transuranic Package Transporter-II (TRUPACT-II) and HalfPACT packagings. This document is a catalog of TRUPACT-II and HalfPACT authorized contents and a description of the methods utilized to demonstrate compliance with the CH-TRAMPAC. A summary of currently approved content codes by site is presented in Table 1. The CH-TRAMPAC describes "shipping categories" that are assigned to each payload container. Multiple shipping categories may be assigned to a single content code. A summary of approved content codes and corresponding shipping categories is provided in Table 2, which consists of Tables 2A, 2B, and 2C. Table 2A provides a summary of approved content codes and corresponding shipping categories for the "General Case," which reflects the assumption of a 60-day shipping period as described in the CH-TRAMPAC and Appendix 3.4 of the CH-TRU Payload Appendices. For shipments to be completed within an approximately 1,000-mile radius, a shorter shipping period of 20 days is applicable as described in the CH-TRAMPAC and Appendix 3.5 of the CH-TRU Payload Appendices. For shipments to WIPP from Los Alamos National Laboratory (LANL), Nevada Test Site, and Rocky Flats Environmental Technology Site, a 20-day shipping period is applicable. Table 2B provides a summary of approved content codes and corresponding shipping categories for "Close-Proximity Shipments" (20-day shipping period). For shipments implementing the controls specified in the CH-TRAMPAC and Appendix 3.6 of the CH-TRU Payload Appendices, a 10-day shipping period is applicable. Table 2C provides a summary of approved content codes and corresponding shipping categories for "Controlled Shipments

  15. CH-TRU Waste Content Codes (CH-TRUCON)

    SciTech Connect

    Washington TRU Solutions LLC

    2005-11-20

    The CH-TRU Waste Content Codes (CH-TRUCON) document describes the inventory of the U.S. Department of Energy (DOE) CH-TRU waste within the transportation parameters specified by the Contact-Handled Transuranic Waste Authorized Methods for Payload Control (CH-TRAMPAC). The CH-TRAMPAC defines the allowable payload for the Transuranic Package Transporter-II (TRUPACT-II) and HalfPACT packagings. This document is a catalog of TRUPACT-II and HalfPACT authorized contents and a description of the methods utilized to demonstrate compliance with the CH-TRAMPAC. A summary of currently approved content codes by site is presented in Table 1. The CH-TRAMPAC describes "shipping categories" that are assigned to each payload container. Multiple shipping categories may be assigned to a single content code. A summary of approved content codes and corresponding shipping categories is provided in Table 2, which consists of Tables 2A, 2B, and 2C. Table 2A provides a summary of approved content codes and corresponding shipping categories for the "General Case," which reflects the assumption of a 60-day shipping period as described in the CH-TRAMPAC and Appendix 3.4 of the CH-TRU Payload Appendices. For shipments to be completed within an approximately 1,000-mile radius, a shorter shipping period of 20 days is applicable as described in the CH-TRAMPAC and Appendix 3.5 of the CH-TRU Payload Appendices. For shipments to WIPP from Los Alamos National Laboratory (LANL), Nevada Test Site, and Rocky Flats Environmental Technology Site, a 20-day shipping period is applicable. Table 2B provides a summary of approved content codes and corresponding shipping categories for "Close-Proximity Shipments" (20-day shipping period). For shipments implementing the controls specified in the CH-TRAMPAC and Appendix 3.6 of the CH-TRU Payload Appendices, a 10-day shipping period is applicable. Table 2C provides a summary of approved content codes and corresponding shipping categories for "Controlled Shipments

  16. CH-TRU Waste Content Codes (CH-TRUCON)

    SciTech Connect

    Washington TRU Solutions LLC

    2006-08-15

    The CH-TRU Waste Content Codes (CH-TRUCON) document describes the inventory of the U.S. Department of Energy (DOE) CH-TRU waste within the transportation parameters specified by the Contact-Handled Transuranic Waste Authorized Methods for Payload Control (CH-TRAMPAC). The CH-TRAMPAC defines the allowable payload for the Transuranic Package Transporter-II (TRUPACT-II) and HalfPACT packagings. This document is a catalog of TRUPACT-II and HalfPACT authorized contents and a description of the methods utilized to demonstrate compliance with the CH-TRAMPAC. A summary of currently approved content codes by site is presented in Table 1. The CH-TRAMPAC describes "shipping categories" that are assigned to each payload container. Multiple shipping categories may be assigned to a single content code. A summary of approved content codes and corresponding shipping categories is provided in Table 2, which consists of Tables 2A, 2B, and 2C. Table 2A provides a summary of approved content codes and corresponding shipping categories for the "General Case," which reflects the assumption of a 60-day shipping period as described in the CH-TRAMPAC and Appendix 3.4 of the CH-TRU Payload Appendices. For shipments to be completed within an approximately 1,000-mile radius, a shorter shipping period of 20 days is applicable as described in the CH-TRAMPAC and Appendix 3.5 of the CH-TRU Payload Appendices. For shipments to WIPP from Los Alamos National Laboratory (LANL), Nevada Test Site, and Rocky Flats Environmental Technology Site, a 20-day shipping period is applicable. Table 2B provides a summary of approved content codes and corresponding shipping categories for "Close-Proximity Shipments" (20-day shipping period). For shipments implementing the controls specified in the CH-TRAMPAC and Appendix 3.6 of the CH-TRU Payload Appendices, a 10-day shipping period is applicable. Table 2C provides a summary of approved content codes and corresponding shipping categories for "Controlled Shipments

  17. CH-TRU Waste Content Codes (CH-TRUCON)

    SciTech Connect

    Washington TRU Solutions LLC

    2007-06-15

    The CH-TRU Waste Content Codes (CH-TRUCON) document describes the inventory of the U.S. Department of Energy (DOE) CH-TRU waste within the transportation parameters specified by the Contact-Handled Transuranic Waste Authorized Methods for Payload Control (CH-TRAMPAC). The CH-TRAMPAC defines the allowable payload for the Transuranic Package Transporter-II (TRUPACT-II) and HalfPACT packagings. This document is a catalog of TRUPACT-II and HalfPACT authorized contents and a description of the methods utilized to demonstrate compliance with the CH-TRAMPAC. A summary of currently approved content codes by site is presented in Table 1. The CH-TRAMPAC describes "shipping categories" that are assigned to each payload container. Multiple shipping categories may be assigned to a single content code. A summary of approved content codes and corresponding shipping categories is provided in Table 2, which consists of Tables 2A, 2B, and 2C. Table 2A provides a summary of approved content codes and corresponding shipping categories for the "General Case," which reflects the assumption of a 60-day shipping period as described in the CH-TRAMPAC and Appendix 3.4 of the CH-TRU Payload Appendices. For shipments to be completed within an approximately 1,000-mile radius, a shorter shipping period of 20 days is applicable as described in the CH-TRAMPAC and Appendix 3.5 of the CH-TRU Payload Appendices. For shipments to WIPP from Los Alamos National Laboratory (LANL), Nevada Test Site, and Rocky Flats Environmental Technology Site, a 20-day shipping period is applicable. Table 2B provides a summary of approved content codes and corresponding shipping categories for "Close-Proximity Shipments" (20-day shipping period). For shipments implementing the controls specified in the CH-TRAMPAC and Appendix 3.6 of the CH-TRU Payload Appendices, a 10-day shipping period is applicable. Table 2C provides a summary of approved content codes and corresponding shipping categories for "Controlled Shipments

  18. CH-TRU Waste Content Codes (CH-TRUCON)

    SciTech Connect

    Washington TRU Solutions LLC

    2006-09-15

    The CH-TRU Waste Content Codes (CH-TRUCON) document describes the inventory of the U.S. Department of Energy (DOE) CH-TRU waste within the transportation parameters specified by the Contact-Handled Transuranic Waste Authorized Methods for Payload Control (CH-TRAMPAC). The CH-TRAMPAC defines the allowable payload for the Transuranic Package Transporter-II (TRUPACT-II) and HalfPACT packagings. This document is a catalog of TRUPACT-II and HalfPACT authorized contents and a description of the methods utilized to demonstrate compliance with the CH-TRAMPAC. A summary of currently approved content codes by site is presented in Table 1. The CH-TRAMPAC describes "shipping categories" that are assigned to each payload container. Multiple shipping categories may be assigned to a single content code. A summary of approved content codes and corresponding shipping categories is provided in Table 2, which consists of Tables 2A, 2B, and 2C. Table 2A provides a summary of approved content codes and corresponding shipping categories for the "General Case," which reflects the assumption of a 60-day shipping period as described in the CH-TRAMPAC and Appendix 3.4 of the CH-TRU Payload Appendices. For shipments to be completed within an approximately 1,000-mile radius, a shorter shipping period of 20 days is applicable as described in the CH-TRAMPAC and Appendix 3.5 of the CH-TRU Payload Appendices. For shipments to WIPP from Los Alamos National Laboratory (LANL), Nevada Test Site, and Rocky Flats Environmental Technology Site, a 20-day shipping period is applicable. Table 2B provides a summary of approved content codes and corresponding shipping categories for "Close-Proximity Shipments" (20-day shipping period). For shipments implementing the controls specified in the CH-TRAMPAC and Appendix 3.6 of the CH-TRU Payload Appendices, a 10-day shipping period is applicable. Table 2C provides a summary of approved content codes and corresponding shipping categories for "Controlled Shipments

  19. CH-TRU Content Codes (CH-TRUCON)

    SciTech Connect

    Washington TRU Solutions LLC

    2005-10-15

    The CH-TRU Waste Content Codes (CH-TRUCON) document describes the inventory of the U.S. Department of Energy (DOE) CH-TRU waste within the transportation parameters specified by the Contact-Handled Transuranic Waste Authorized Methods for Payload Control (CH-TRAMPAC). The CH-TRAMPAC defines the allowable payload for the Transuranic Package Transporter-II (TRUPACT-II) and HalfPACT packagings. This document is a catalog of TRUPACT-II and HalfPACT authorized contents and a description of the methods utilized to demonstrate compliance with the CH-TRAMPAC. A summary of currently approved content codes by site is presented in Table 1. The CH-TRAMPAC describes "shipping categories" that are assigned to each payload container. Multiple shipping categories may be assigned to a single content code. A summary of approved content codes and corresponding shipping categories is provided in Table 2, which consists of Tables 2A, 2B, and 2C. Table 2A provides a summary of approved content codes and corresponding shipping categories for the "General Case," which reflects the assumption of a 60-day shipping period as described in the CH-TRAMPAC and Appendix 3.4 of the CH-TRU Payload Appendices. For shipments to be completed within an approximately 1,000-mile radius, a shorter shipping period of 20 days is applicable as described in the CH-TRAMPAC and Appendix 3.5 of the CH-TRU Payload Appendices. For shipments to WIPP from Los Alamos National Laboratory (LANL), Nevada Test Site, and Rocky Flats Environmental Technology Site, a 20-day shipping period is applicable. Table 2B provides a summary of approved content codes and corresponding shipping categories for "Close-Proximity Shipments" (20-day shipping period). For shipments implementing the controls specified in the CH-TRAMPAC and Appendix 3.6 of the CH-TRU Payload Appendices, a 10-day shipping period is applicable. Table 2C provides a summary of approved content codes and corresponding shipping categories for "Controlled Shipments

  20. Gas turbine igniter with ball-joint support

    SciTech Connect

    Steber, C.E.; Travis, R.J.; Rizzo, J.A.

    1990-02-27

    This patent describes a support for an igniter for a combustor of a gas turbine, the combustor being of a type including a casing and a liner within the casing. It comprises: a ball joint; means for supporting the ball joint disposed a substantial distance outward from the casing; a body section of the igniter affixed in the ball joint; means for permitting the ball joint, and the body section to rotate through a substantial range; an igniter tip on the body section; and a hole in the liner. The igniter tip entering through the hole and into an interior of the liner. The hole being a tight fit to the igniter tip, whereby leakage past the igniter tip through the hole is limited. The substantial range being sufficient to permit fitting the igniter tip in the hole in the presence of manufacturing tolerances, and to permit the igniter tip to track the hole in the presence of differential thermal expansion during operation.

  1. RadBall Technology For Hot Cell Characterization

    Office of Environmental Management (EM)

    2 Tech Fact Sheet Savannah River National Laboratory South Carolina RadBall Technology For ... The inner core is made from a radiation sensitive polymer-based dosimetry material. As ...

  2. Free Floating Atmospheric Pressure Ball Plasmas | Princeton Plasma...

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    7, 2008, 4:15pm to 5:30pm Colloquia MBG Auditorium Free Floating Atmospheric Pressure Ball Plasmas Dr. Glen Wurden Los Alamos National Laboratory Presentation: PDF icon Free...

  3. Perturbation analysis of deformed Q-balls and primordial magnetic fields

    SciTech Connect

    Uesugi, Tomoko; Shiromizu, Tetsuya; Aoki, Mayumi

    1999-11-19

    We study the excited states of the Q-balls by performing stationary perturbation on the spherical Q-balls. We find the exact solution of the stationary perturbation of the global Q-ball. For local Q-balls we solve the equations of motion for the perturbative part approximately by using expansion about the coupling constant. Furthermore we comment on the magnetic field generated by the excited states of local Q-balls during the phase transition.

  4. NOPR CH2M | Department of Energy

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    CH2M NOPR CH2M NOPR CH2M (62.16 KB) More Documents & Publications NOPR NEI NEI Statement DOE Workshop 02 20 FINAL NOPR CIGNL

  5. Areal array jetting device for ball grid arrays

    SciTech Connect

    Frear, D.R.; Yost, F.G.; Schmale, D.T.; Essien, M.

    1997-08-01

    Package designs for microelectronics devices have moved from through-hole to surface mount technology in order to increase the printed wiring board real estate available by utilizing both sides of the board. The traditional geometry for surface mount devices is peripheral arrays where the leads are on the edges of the device. As the technology drives towards high input/output (I/O) count (increasing number of leads) and smaller packages with finer pitch (less distance between peripheral leads), limitations on peripheral surface mount devices arise. A solution to the peripheral surface mount issue is to shift the leads to the area under the device. This scheme is called areal array packaging and is exemplified by the ball grid array (BGA) package. In a BGA package, the leads are on the bottom surface of the package in the form of an array of solder balls. The current practice of joining BGA packages to printed wiring boards involves a hierarchy of solder alloy compositions. A high melting temperature ball is typically used for standoff. A promising alternative to current methods is the use of jetting technology to perform monolithic solder ball attachment. This paper describes an areal array jetter that was designed and built to simultaneously jet arrays of solder balls directly onto BGA substrates.

  6. Gravitino dark matter from Q-ball decays

    SciTech Connect

    Shoemaker, Ian M.; Kusenko, Alexander

    2009-10-01

    Affleck-Dine baryogenesis, accompanied by the formation and subsequent decay of Q-balls, can generate both the baryon asymmetry of the Universe and dark matter in the form of gravitinos. The gravitinos from Q-ball decay dominate over the thermally produced population if the reheat temperature T{sub R} < or approx. 10{sup 7} GeV. We show that a gravitino with mass {approx}1 GeV is consistent with all observational bounds and can explain the baryon-to-dark-matter ratio in the gauge-mediated models of supersymmetry breaking for a wide range of cosmological and Q-ball parameters. Moreover, decaying Q-balls can be the dominant production mechanism for m{sub 3/2}<1 GeV gravitinos if the Q-balls are formed from a (B-L)=0 condensate, which produces no net baryon asymmetry. Gravitinos with masses in the range 50 eV < or approx. m{sub 3/2} < or approx. 100 keV produced in this way can act as warm dark matter and can have observable imprint on the small-scale structure.

  7. A Look Through the Crystal Ball at the Future of Automobile Battery...

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    A Look Through the Crystal Ball at the Future of Automobile Battery Recycling Title A Look Through the Crystal Ball at the Future of Automobile Battery Recycling Publication Type...

  8. Formation of the Q ball in the thermal logarithmic potential and its properties

    SciTech Connect

    Kasuya, Shinta

    2010-04-15

    We investigate the Q-ball formation in the thermal logarithmic potential by means of the lattice simulation, and reconfirm qualitatively the relation between Q-ball charge and the amplitude of the Affleck-Dine field at the onset of its oscillation. We find time dependence of some properties of the Q ball, such as its size and the field value at its center. Since the thermal logarithmic potential decreases as the temperature falls down, the gravity-mediation potential will affect the properties of the Q ball. Even in the case when the gravity-mediation potential alone does not allow Q-ball solution, we find the transformation from the thick-wall type of the Q ball to the thin-wall type, contrary to the naive expectation that the Q balls will be destroyed immediately when the gravity-mediation potential becomes dominant at the center of the Q ball.

  9. Some hybrid types of Q balls in gauge-mediated supersymmetry breaking

    SciTech Connect

    Kasuya, Shinta; Kawasaki, Masahiro

    2009-12-15

    We revisit the new type of Q ball (the gravity-mediation type of the Q ball in gauge mediation) in order to clarify its properties and correct some misunderstandings found in recent literature. In addition, we investigate the feature of the other kind of the hybrid-type of the Q ball, which was considered in the context of the Q-ball capture by the neutron star.

  10. CH-TRUCON Rev. 21, January 2008

    Office of Environmental Management (EM)

    DOE/WIPP 01-3194 Rev. 21 CH-TRU WASTE CONTENT CODES (CH-TRUCON) Revision 21 January 2008 This document supercedes DOE/WIPP 01-3194, Revision 20 CH-TRUCON, Rev. 21, January 2008 DOE/WIPP 01-3194 2 DOE/WIPP 01-3194 Rev. 21 CH-TRU WASTE CONTENT CODES (CH-TRUCON) Revision 21 January 2008 Approved by: [Signature on File] Date:____________ D. Casey Gadbury, National TRU Program Director CH-TRUCON, Rev. 21, January 2008 DOE/WIPP 01-3194 3 This document has been submitted as required to: Office of

  11. Supersymmetric dark-matter Q-balls and their interactions in matter

    SciTech Connect

    Kusenko, Alexander; Loveridge, Lee C.; Shaposhnikov, Mikhail

    2005-07-15

    Supersymmetric extensions of the Standard Model contain nontopological solitons, Q-balls, which can be stable and can be a form of cosmological dark matter. Understanding the interaction of SUSY Q-balls with matter fermions is important for both astrophysical limits and laboratory searches for these dark-matter candidates. We show that a baryon scattering off a baryonic SUSY Q-ball can convert into its antiparticle with a high probability, while the baryon number of the Q-ball is increased by two units. For a SUSY Q-ball interacting with matter, this process dominates over those previously discussed in the literature.

  12. VOC compliance on the ball: Aluminum can manufacturer rolls to California VOC compliance

    SciTech Connect

    Gay, R.

    1997-07-01

    Since entering the North American beverage can market in 1969, Ball Corp., has increased its market share at a pace more than double the growth of the market itself. In addition to holding numerous patented advancements in can-making technology, Ball prides itself as an environmentally responsible company. When Ball decided to increase production capacity in its Fairfield, California, plant, the challenge was to produce more cans, while still complying with the state`s stringent air emissions regulations. As with other aluminum can manufacturing facilities, Ball`s coating and curing operations generate volatile organic compounds (VOCs). Ball`s permit from the state of California allows only limited amounts of VOC discharges into the atmosphere. With proposed increases in production capacities, however, the Bay Area`s Air Quality Management District--a local US EPA authority--required Ball to incinerate far more VOCs than the existing recuperative abatement system could handle. According to California regulations, facilities that wish to increase VOC emissions must install some type of VOC-control system or provide technological offsets. This regulatory pressure led Ball to seek a solution that would not only comply with emissions regulations, but would not compromise the company`s production process. Ball engineers selected a regenerative thermal oxidizer (RTO) for the Fairfield, Calif., plant. Considering the success Ball has encountered in previous experiences with this type of oxidation unit, the company immediately selected an RTO instead of catalytic oxidizers or other types of pollution control equipment.

  13. Gravitating Q-balls in the Affleck-Dine mechanism

    SciTech Connect

    Tamaki, Takashi; Sakai, Nobuyuki

    2011-04-15

    We investigate how gravity affects ''Q-balls'' with the Affleck-Dine potential V{sub AD}({phi}):=(m{sup 2}/2){phi}{sup 2} [1+Kln(({phi}/M)){sup 2}]. Contrary to the flat case, in which equilibrium solutions exist only if K<0, we find three types of gravitating solutions as follows. In the case that K<0, ordinary Q-ball solutions exist; there is an upper bound of the charge due to gravity. In the case that K=0, equilibrium solutions called (mini-)boson stars appear due to gravity; there is an upper bound of the charge, too. In the case that K>0, equilibrium solutions appear, too. In this case, these solutions are not asymptotically flat but surrounded by Q-matter. These solutions might be important in considering a dark matter scenario in the Affleck-Dine mechanism.

  14. Energy landscape of d-dimensional Q-balls

    SciTech Connect

    Gleiser, Marcelo; Thorarinson, Joel

    2006-03-15

    We investigate the properties of Q-balls in d spatial dimensions. First, a generalized virial relation for these objects is obtained. We then focus on potentials V({phi}{phi}{sup {dagger}})={sub n=1}{sup 3}a{sub n}({phi}{phi}{sup {dagger}}){sup n}, where a{sub n} is a constant and n is an integer, obtaining variational estimates for their energies for arbitrary charge Q. These analytical estimates are contrasted with numerical results and their accuracy evaluated. Based on the results, we offer a simple criterion to classify large and small d-dimensional Q-balls for this class of potentials. A minimum charge is then computed and its dependence on spatial dimensionality is shown to scale as Q{sub min}{approx}exp(d). We also briefly investigate the existence of Q-clouds in d dimensions.

  15. Slowly rotating fluid balls of Petrov type D

    SciTech Connect

    Bradley, Michael; Eriksson, Daniel; Fodor, Gyula; Racz, Istvan

    2007-01-15

    The second order perturbative field equations for slowly and rigidly rotating perfect fluid balls of Petrov type D are solved numerically. It is found that all the slowly and rigidly rotating perfect fluid balls up to second order, irrespective of Petrov type, may be matched to a possibly nonasymptotically flat stationary axisymmetric vacuum exterior. The Petrov type D interior solutions are characterized by five integration constants, corresponding to density and pressure of the zeroth order configuration, the magnitude of the vorticity, one more second order constant, and an independent spherically symmetric second order small perturbation of the central pressure. A four-dimensional subspace of this five-dimensional parameter space is identified for which the solutions can be matched to an asymptotically flat exterior vacuum region. Hence these solutions are completely determined by the spherical configuration and the magnitude of the vorticity. The physical properties, like equation of state, shape, and speed of sound, are determined for a number of solutions.

  16. Sigma model Q-balls and Q-stars

    SciTech Connect

    Verbin, Y.

    2007-10-15

    A new kind of Q-balls is found: Q-balls in a nonlinear sigma model. Their main properties are presented together with those of their self-gravitating generalization, sigma model Q-stars. A simple special limit of solutions which are bound by gravity alone ('sigma stars') is also discussed briefly. The analysis is based on calculating the mass, global U(1) charge and binding energy for families of solutions parametrized by the central value of the scalar field. Two kinds (differing by the potential term) of the new sigma model Q-balls and Q-stars are analyzed. They are found to share some characteristics while differing in other respects like their properties for weak central scalar fields which depend strongly on the form of the potential term. They are also compared with their ordinary counterparts and although similar in some respects, significant differences are found like the existence of an upper bound on the central scalar field. A special subset of the sigma model Q-stars contains those which do not possess a flat space limit. Their relation with sigma star solutions is discussed.

  17. Thermodynamics of charged rotating black branes in Brans-Dicke theory with quadratic scalar field potential

    SciTech Connect

    Dehghani, M. H.; Pakravan, J.; Hendi, S. H.

    2006-11-15

    We construct a class of charged rotating solutions in (n+1)-dimensional Maxwell-Brans-Dicke theory with flat horizon in the presence of a quadratic potential and investigate their properties. These solutions are neither asymptotically flat nor (anti)-de Sitter. We find that these solutions can present black brane, with inner and outer event horizons, an extreme black brane or a naked singularity provided the parameters of the solutions are chosen suitably. We compute the finite Euclidean action through the use of counterterm method, and obtain the conserved and thermodynamic quantities by using the relation between the action and free energy in grand-canonical ensemble. We find that these quantities satisfy the first law of thermodynamics, and the entropy does not follow the area law.

  18. Desorption of uranium recovered with fibrous amidoxime adsorbent shaped into balls

    SciTech Connect

    Kusakabe, Katsuki; Isumi, Noriaki; Morooka, Shigeharu )

    1994-07-01

    Amidoxime fiber synthesized with a commercial PAN fiber was packed in 2 cm-diameter spherical shells made of plastic net. The adsorbent balls were then packed in a cage through which seawater passed. This shape of adsorbent increased the contact efficiency between adsorbent and seawater but might decrease the desorption rate of uranium adsorbed in the balls. The rate of desorption from 2 cm-diameter adsorbent balls packed in a column was nearly equal to the value obtained with completely dispersed amidoxime fiber, however, when the eluent velocity through the balls was higher than 2-4 cm[center dot]s[sup [minus]1] and the void fraction in the balls was higher than 0.8. Most of the liquid held in the balls was removed with a light centrifugation. 11 refs., 4 figs., 1 tab.

  19. Unified picture of Q-balls and boson stars via catastrophe theory

    SciTech Connect

    Tamaki, Takashi; Sakai, Nobuyuki

    2010-06-15

    We make an analysis of Q-balls and boson stars using catastrophe theory, as an extension of the previous work on Q-balls in flat spacetime. We adopt the potential V{sub 3}({phi})=(m{sup 2}/2){phi}{sup 2}-{mu}{phi}{sup 3}+{lambda}{phi}{sup 4} for Q-balls and that with {mu}=0 for boson stars. For solutions with |g{sup rr}-1|{approx}1 at its peak, stability of Q-balls has been lost regardless of the potential parameters. As a result, phase relations, such as a Q-ball charge versus a total Hamiltonian energy, approach those of boson stars, which gives us a unified picture of Q-balls and boson stars.

  20. Conversion of baryonic fermions into squarks in neutron stars from supersymmetric dark matter Q-balls

    SciTech Connect

    Shoemaker, Ian M.

    2009-08-01

    The gauge-mediated model of supersymmetry breaking implies that stable nontopological solitons, Q-balls, could form in the early Universe and comprise the dark matter. It is shown that the inclusion of the effects from gravity-mediation set an upper limit on the size of Q-balls. When in a dense baryonic environment Q-balls grow until reaching this limiting size at which point they fragment into two equal-sized Q-balls. This Q-splitting process will rapidly destroy a neutron star that absorbs even one Q-ball. The new limits on Q-ball dark matter require an ultralight gravitino m{sub 3/2} < or approx. keV, naturally avoiding the gravitino overclosure problem, and providing the minimal supersymmetric standard model with a dark matter candidate where gravitino dark matter is not viable.

  1. Neutrinos from the terrestrial passage of supersymmetric dark-matter Q-balls

    SciTech Connect

    Kusenko, Alexander; Shoemaker, Ian M.

    2009-07-15

    Supersymmetry implies that stable nontopological solitons, Q-balls, could form in the early universe and could make up all or part of dark matter. We show that the relic Q-balls passing through Earth can produce a detectable neutrino flux. The peculiar zenith angle dependence and a small annual modulation of this flux can be used as signatures of dark-matter Q-balls.

  2. Three-dimensional Plasmas R. L. Dewar; P. Cuthbert; R. Ball 70...

    Office of Scientific and Technical Information (OSTI)

    of Three-dimensional Plasmas R. L. Dewar; P. Cuthbert; R. Ball 70 PLASMA PHYSICS AND FUSION TECHNOLOGY; 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY;...

  3. Measurements of the Motion of Plasma Filaments in a Plasma Ball

    SciTech Connect

    Campanell, M.; Laird, J.; Provost, T.; Vasquez, S.; Zweben, S. J.

    2010-01-26

    Measurements were made of the motion of the filamentary structures in a plasma ball using high speed cameras and other optical detectors. These filaments traverse the ball radially at ~106 cm/sec at the driving frequency of ~26 kHz, and drift upward through the ball at ~1 cm/sec. Varying the applied high voltage and frequency caused the number, length, and diameter of the filaments to change. A custom plasma ball was constructed to observe the effects of varying gas pressure and species on the filament structures.

  4. CH Packaging Operations for High Wattage Waste

    SciTech Connect

    Washington TRU Solutions LLC

    2006-01-06

    This document provides instructions for assembling the following CH packaging payload: Drum payload assembly Standard Waste Box (SWB) assembly Ten-Drum Overpack (TDOP)

  5. Ball-grid array architecture for microfabricated ion traps

    SciTech Connect

    Guise, Nicholas D. Fallek, Spencer D.; Stevens, Kelly E.; Brown, K. R.; Volin, Curtis; Harter, Alexa W.; Amini, Jason M.; Higashi, Robert E.; Lu, Son Thai; Chanhvongsak, Helen M.; Nguyen, Thi A.; Marcus, Matthew S.; Ohnstein, Thomas R.; Youngner, Daniel W.

    2015-05-07

    State-of-the-art microfabricated ion traps for quantum information research are approaching nearly one hundred control electrodes. We report here on the development and testing of a new architecture for microfabricated ion traps, built around ball-grid array (BGA) connections, that is suitable for increasingly complex trap designs. In the BGA trap, through-substrate vias bring electrical signals from the back side of the trap die to the surface trap structure on the top side. Gold-ball bump bonds connect the back side of the trap die to an interposer for signal routing from the carrier. Trench capacitors fabricated into the trap die replace area-intensive surface or edge capacitors. Wirebonds in the BGA architecture are moved to the interposer. These last two features allow the trap die to be reduced to only the area required to produce trapping fields. The smaller trap dimensions allow tight focusing of an addressing laser beam for fast single-qubit rotations. Performance of the BGA trap as characterized with {sup 40}Ca{sup +} ions is comparable to previous surface-electrode traps in terms of ion heating rate, mode frequency stability, and storage lifetime. We demonstrate two-qubit entanglement operations with {sup 171}Yb{sup +} ions in a second BGA trap.

  6. Method and apparatus for jetting, manufacturing and attaching uniform solder balls

    DOEpatents

    Yost, Frederick G.; Frear, Darrel R.; Schmale, David T.

    1999-01-01

    An apparatus and process for jetting molten solder in the form of balls directly onto all the metallized interconnects lands for a ball grid array package in one step with no solder paste required. Molten solder is jetted out of a grid of holes using a piston attached to a piezoelectric crystal. When voltage is applied to the crystal it expands forcing the piston to extrude a desired volume of solder through holes in the aperture plate. When the voltage is decreased the piston reverses motion creating an instability in the molten solder at the aperture plate surface and thereby forming spherical solder balls that fall onto a metallized substrate. The molten solder balls land on the substrate and form a metallurgical bond with the metallized lands. The size of the solder balls is determined by a combination of the size of the holes in the aperture plate, the duration of the piston pulse, and the displacement of the piston. The layout of the balls is dictated by the location of the hooks in the grid. Changes in ball size and layout can be easily accomplished by changing the grid plate. This invention also allows simple preparation of uniform balls for subsequent supply to BGA users.

  7. Method and apparatus for jetting, manufacturing and attaching uniform solder balls

    SciTech Connect

    Yost, F.G.; Frear, D.R.; Schmale, D.T.

    1999-01-05

    An apparatus and process are disclosed for jetting molten solder in the form of balls directly onto all the metallized interconnects lands for a ball grid array package in one step with no solder paste required. Molten solder is jetted out of a grid of holes using a piston attached to a piezoelectric crystal. When voltage is applied to the crystal it expands forcing the piston to extrude a desired volume of solder through holes in the aperture plate. When the voltage is decreased the piston reverses motion creating an instability in the molten solder at the aperture plate surface and thereby forming spherical solder balls that fall onto a metallized substrate. The molten solder balls land on the substrate and form a metallurgical bond with the metallized lands. The size of the solder balls is determined by a combination of the size of the holes in the aperture plate, the duration of the piston pulse, and the displacement of the piston. The layout of the balls is dictated by the location of the hooks in the grid. Changes in ball size and layout can be easily accomplished by changing the grid plate. This invention also allows simple preparation of uniform balls for subsequent supply to BGA users. 7 figs.

  8. Coupling for joining a ball nut to a machine tool carriage

    DOEpatents

    Gerth, Howard L.

    1979-01-01

    The present invention relates to an improved coupling for joining a lead screw ball nut to a machine tool carriage. The ball nut is coupled to the machine tool carriage by a plurality of laterally flexible bolts which function as hinges during the rotation of the lead screw for substantially reducing lateral carriage movement due to wobble in the lead screw.

  9. Expanding (n+1)-dimensional wormhole solutions in Brans-Dicke cosmology

    SciTech Connect

    Ebrahimi, E.; Riazi, N.

    2010-01-15

    We have obtained two classes of (n+1)-dimensional wormhole solutions using a traceless energy-momentum tensor in the Brans-Dicke theory of gravity. The first class contains wormhole solutions in an open geometry, while the second contains wormhole solutions in both open and closed universes. In addition to wormhole geometries, naked singularities and maximally symmetric space-time also appear among the solutions as special cases. We have also considered the traversability of the wormhole solutions and have shown that they are indeed traversable. Finally, we have discussed the energy-momentum tensor which supports this geometry and have checked for the energy conditions. We have found that wormhole solutions in the first class of solutions violate the weak energy condition (WEC). In the second class, the wormhole geometries in a closed universe do violate the WEC, but in an open universe with a suitable choice of constants the supporting matter energy-momentum tensor can satisfy the WEC. However, even in this case the full effective energy-momentum tensor including the scalar field and the matter energy-momentum tensor still violates the WEC.

  10. CH-TRU Waste Content Codes

    SciTech Connect

    Washington TRU Solutions LLC

    2008-01-16

    The CH-TRU Waste Content Codes (CH-TRUCON) document describes the inventory of the U.S. Department of Energy (DOE) CH-TRU waste within the transportation parameters specified by the Contact-Handled Transuranic Waste Authorized Methods for Payload Control (CH-TRAMPAC). The CH-TRAMPAC defines the allowable payload for the Transuranic Package Transporter-II (TRUPACT-II) and HalfPACT packagings. This document is a catalog of TRUPACT-II and HalfPACT authorized contents and a description of the methods utilized to demonstrate compliance with the CH-TRAMPAC. A summary of currently approved content codes by site is presented in Table 1. The CH-TRAMPAC describes "shipping categories" that are assigned to each payload container. Multiple shipping categories may be assigned to a single content code. A summary of approved content codes and corresponding shipping categories is provided in Table 2, which consists of Tables 2A, 2B, and 2C. Table 2A provides a summary of approved content codes and corresponding shipping categories for the "General Case," which reflects the assumption of a 60-day shipping period as described in the CH-TRAMPAC and Appendix 3.4 of the CH-TRU Payload Appendices. For shipments to be completed within an approximately 1,000-mile radius, a shorter shipping period of 20 days is applicable as described in the CH-TRAMPAC and Appendix 3.5 of the CH-TRU Payload Appendices. For shipments to WIPP from Los Alamos National Laboratory (LANL), Nevada Test Site, and Rocky Flats Environmental Technology Site, a 20-day shipping period is applicable. Table 2B provides a summary of approved content codes and corresponding shipping categories for "Close-Proximity Shipments" (20-day shipping period). For shipments implementing the controls specified in the CH-TRAMPAC and Appendix 3.6 of the CH-TRU Payload Appendices, a 10-day shipping period is applicable. Table 2C provides a summary of approved content codes and corresponding shipping categories for "Controlled Shipments

  11. Development of high efficiency ball-bearing turbocharger

    SciTech Connect

    Miyashita, K.; Kurasawa, M.; Matsuoka, H.; Ikeya, N.

    1987-01-01

    Turbochargers have become very popular on passenger cars since the first mass-produced turbocharged passenger cars were put on market in Japan in 1979. Turbo lag is one of the most serious problem since the first mass-production started. Several new technologies such as a variable geometry turbocharger, ceramic turbocharger, etc. have been introduced to improve acceleration performance. A variable geometry turbocharger changes the area of gas flow passage and increases exhaust gas speed at low engine speed. A ceramic turbocharger reduces inertia moment of a turbine wheel and shaft. Turbocharger mechanical efficiency has equal importance as compressor efficiency and turbine efficiency. This paper describes the test results of ball bearing turbochargers.

  12. Affleck-Dine dynamics, Q-ball formation, and thermalization

    SciTech Connect

    Tsumagari, Mitsuo I.

    2009-10-15

    We present both analytically and numerically a consistent analysis of the dynamics from the Affleck-Dine (AD) mechanism to the subsequent semiclassical evolution in both gravity-mediated and gauge-mediated models. We obtain analytically the elliptic motions in the AD dynamics as the analogy of the well-known Kepler-problem, and by solving the equations of motion on a lattice, we find that the semiclassical evolution goes through three distinct stages as a nonequilibrium process of reheating the Universe: prethermalization, bubble collisions and thermalization. We report that the second stage of our case lasts rather long compared to the second stage of the reheating case, and the thermalization process is unique due to the presence of 'thermal Q-balls'.

  13. Central Characterization Program (CCP) Contact-Handled (CH) TRU...

    Office of Environmental Management (EM)

    Contact-Handled (CH) TRU Waste Certification and Waste Information SystemWaste Data System (WWISWDS) Data Entry Central Characterization Program (CCP) Contact-Handled (CH) TRU...

  14. Independent Oversight Review, Hanford Site CH2M Hill Plateau...

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    CH2M Hill Plateau Remediation Company - November 2012 Independent Oversight Review, Hanford Site CH2M Hill Plateau Remediation Company - November 2012 November 2012 Review of the...

  15. Newport News in Review, ch. 47, segment includes TEDF groundbreaking...

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    https:www.jlab.orgnewsarticlesnewport-news-review-ch-47-segment-includes-tedf-groundbreaking-event Newport News in Review, ch. 47, segment includes TEDF groundbreaking event...

  16. ARM - Datastreams - avhrr11ch4

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

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  4. Nondestructive Testing of Aeronautic Bearing Ceramic Balls by Resonant Ultrasound Spectroscopy

    SciTech Connect

    Petit, S.; Deneuville, F.; Duquennoy, M.; Ouaftouh, M.; Jenot, F.; Ourak, M.

    2005-04-09

    Although ceramic balls are used for bearings in the aerospace industries, defects in ceramic material could be dangerous, particularly if such defects are located close to the surface. We propose a non-destructive testing method for silicon nitride balls, based on ultrasonic resonance spectroscopy. From their elastic vibrations, it is possible to characterize the balls. The proposed methodology can both excite and detect vibrations over a large frequency range, in order to estimate the velocity of surface waves, which permits cortical areas to be tested specifically.

  5. 511 keV line from Q balls in the galactic center

    SciTech Connect

    Kasuya, Shinta; Takahashi, Fuminobu

    2005-10-15

    The 511 keV photons from the galactic center can be explained by positrons produced through Q-ball decay. In the scheme of gauge-mediated supersymmetry breaking, large Q balls with lepton charge are necessarily long-lived. In particular, the lifetime can be as long as (or even longer than) the age of the Universe. If kinematically allowed, such large Q balls decay into positrons, which eventually annihilate with electrons into 511 keV photons. Our scenario is realized within the minimal supersymmetric standard model in the inflationary universe, which is very plausible.

  6. Ball State Completes Largest U.S. Ground-Source Geothermal System |

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    Department of Energy Ball State Completes Largest U.S. Ground-Source Geothermal System Ball State Completes Largest U.S. Ground-Source Geothermal System April 4, 2012 - 3:19pm Addthis Ball State University has completed its campus-wide ground-source geothermal system, the nation's largest geothermal heating and cooling system, DOE announced on March 20. DOE played a part in the project by providing a $5 million grant through the American Recovery and Reinvestment Act. The Indiana-based

  7. Implementation of micro-ball nanodiamond anvils for high-pressure...

    Office of Scientific and Technical Information (OSTI)

    SciTech Connect Search Results Journal Article: Implementation of micro-ball nanodiamond anvils for high-pressure studies above 6Mbar Citation Details In-Document Search Title: ...

  8. Correspondence of I- and Q-balls as non-relativistic condensates

    SciTech Connect

    Mukaida, Kyohei; Takimoto, Masahiro E-mail: takimoto@hep-th.phys.s.u-tokyo.ac.jp

    2014-08-01

    If a real scalar field is dominated by non-relativistic modes, then it approximately conserves its particle number and obeys an equation that governs a complex scalar field theory with a conserved global U(1) symmetry. From this fact, it is shown that the I-ball (oscillon) can be naturally understood as a projection (e.g., real part) of the non-relativistic Q-ball solution. In particular, we clarify that the stability of the I-ball is guaranteed by the U(1) symmetry in the corresponding complex scalar field theory as long as the non-relativistic condition holds. We also discuss the longevity of I-ball from the perspective of the complex scalar field in terms of U(1) charge violating processes.

  9. Porosity in collapsible Ball Grid Array solder joints

    SciTech Connect

    Gonzalez, C.A. |

    1998-05-01

    Ball Grid Array (BGA) technology has taken off in recent years due to the increased need for high interconnect density. Opposite to all the advantages BGA packages offer, porosity in collapsible BGA solder joints is often a major concern in the reliability of such packages. The effect of pores on the strength of collapsible BGA solder-joints was studied by manufacturing samples with different degrees of porosity and testing them under a shear load. It was found that the shear strength of the solder joints decreased in a linear fashion with increasing porosity. Failure occurred by internal necking of the interpore matrix. It was confirmed that entrapment of flux residues leads to porosity by manufacturing fluxless samples in a specially made furnace, and comparing them with samples assembled using flux. Also, contamination of Au electrodeposits (in substrate metallization) was determined to cause significant porosity. It was found that hard-Au (Co hardened Au) electrodeposits produce high degrees of porosity even in the absence of flux. Finally, increasing the time the solder spends in the molten state was proven to successfully decrease porosity.

  10. Red & Black Ball raises nearly $82,000 for youth

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    Red & Black Ball raises $81,000 for youth Community Connections: Your link to news and opportunities from Los Alamos National Laboratory Latest Issue:November 2, 2016 all issues All Issues » submit Red & Black Ball raises nearly $82,000 for youth The Family YMCA receives windfall for Española and Los Alamos teen centers. April 4, 2016 From left: LANL Government Affairs Office Director Patrick Woehrle, LANL Community Programs Office Director Kathy Keith, Laboratory Director Charles

  11. Spinning Q-balls in the complex signum-Gordon model

    SciTech Connect

    Arodz, H.; Karkowski, J.; Swierczynski, Z.

    2009-09-15

    Rotational excitations of compact Q-balls in the complex signum-Gordon model in 2+1 dimensions are investigated. We find that almost all such spinning Q-balls have the form of a ring of strictly finite width. In the limit of large angular momentum M{sub z}, their energy is proportional to |M{sub z}|{sup 1/5}.

  12. Rotating boson stars and Q-balls. II. Negative parity and ergoregions

    SciTech Connect

    Kleihaus, Burkhard; Kunz, Jutta; List, Meike; Schaffer, Isabell

    2008-03-15

    We construct axially symmetric, rotating boson stars with positive and negative parity. Their flat space limits represent spinning Q-balls. Q-balls and boson stars exist only in a limited frequency range. The coupling to gravity gives rise to a spiral-like frequency dependence of the mass and charge of boson stars. We analyze the properties of these solutions. In particular, we discuss the presence of ergoregions in boson stars and determine their domains of existence.

  13. 3D dust clouds (Yukawa Balls) in strongly coupled dusty plasmas

    SciTech Connect

    Melzer, A.; Passvogel, M.; Miksch, T.; Ikkurthi, V. R.; Schneider, R.; Block, D.; Piel, A.

    2010-06-16

    Three-dimensional finite systems of charged dust particles confined to concentric spherical shells in a dusty plasma, so-called 'Yukawa balls', have been studied with respect to their static and dynamic properties. Here, we review the charging of particles in a dusty plasma discharge by computer simulations and the respective particle arrangements. The normal mode spectrum of Yukawa balls is measured from the 3D thermal Brownian motion of the dust particles around their equilibrium positions.

  14. Three-dimensional stereoscopy of Yukawa (Coulomb) balls in dusty plasmas

    SciTech Connect

    Kaeding, Sebastian; Melzer, Andre

    2006-09-15

    A stereoscopic approach with standard video cameras for positioning and tracking of micrometer sized polymer particles in a radio-frequency gas discharge is presented. The stereoscopy is applied to simultaneously determine the positions of all particles in a three-dimensional strongly coupled spherical dusty plasma (Yukawa ball). The accuracy of the stereoscopic method is discussed. The shell structure and the occupation number of various Yukawa balls are determined and compared to recent simulations and models.

  15. Compact Q-balls in the complex signum-Gordon model

    SciTech Connect

    Arodz, H.; Lis, J.

    2008-05-15

    We discuss Q-balls in the complex signum-Gordon model in d-dimensional space for d=1, 2, 3. The Q-balls have strictly finite size. Their total energy is a powerlike function of the conserved U(1) charge with the exponent equal to (d+2)(d+3){sup -1}. In the cases d=1 and d=3 explicit analytic solutions are presented.

  16. The analysis of ball's motion in the torus-shaped autoequalizer

    SciTech Connect

    Strautmanis, Guntis; Jurjev, Vadims; Grinevich, Ivans

    2013-12-16

    The reduction of vibrations in rotary systems is necessary condition for the development of constructions with high quality requirements. Among the devices that are able to reduce rotor's vibrations are automatic balancers with balls, liquid, etc. Autoequalizers with torus-shaped body contain one ball-shaped adjustment mass that can freely roll both in the ring direction and in the cross section. This enables reducing to the minimum the force of resistance at the ball's moving, but simultaneously decreases the chance of launching the autoequalizer in the autobalancing regime. It has been stated that the ball in the working state is influenced by forces that are aimed at moving it in the body of the autoequalizer towards the side opposite to the imbalance. The design of an autoequalizer that ensures working state in which at rotation the ball stops relative to the autoequalizer's body opposite to the imbalance has been experimentally worked out. The autoequalizer is made up of the mathematical model with two differential equations. In the result of the calculations it has been proved that the ball of an equalizer with the torus-shaped body has at least two movement conditions one of which is a working state, and another one is a spare state.

  17. Dark matter gravitinos and baryons via Q-ball decay in the gauge-mediated MSSM

    SciTech Connect

    Doddato, Francesca; McDonald, John E-mail: j.mcdonald@lancaster.ac.uk

    2013-07-01

    We show that late Q-ball decay in the MSSM with gauge-mediated SUSY breaking can provide a natural source of non-thermal NLSPs which subsequently decay to gravitino dark matter without violating nucleosynthesis constraints. To show this, we perform a global analysis of Q-ball formation and decay in Affleck-Dine baryogenesis for a d = 6 (u{sup c}d{sup c}d{sup c}){sup 2} flat direction of the gauge-mediated MSSM. A general phenomenological potential for the flat-direction is studied and the Q-ball decay properties are obtained as a function of its parameters. The corresponding gravitino mass necessary to account for dark matter is then determined for the case of stau NLSPs. The decay temperature depends on the charge of the Q-balls, which is determined by the fragmentation of the AD condensate. Different fragmentation scenarios are considered, and the final non-thermal NLSP density from Q-ball decay and NLSP annihilation is determined. Particular care is taken to establish that NLSPs from Q-ball decay become homogeneous and non-relativistic prior to annihilation. The gravitino mass necessary for dark matter is naturally consistent with the theoretical gravitino mass in the gauge-mediation model.

  18. CH2M HILL Plateau Remediation Company - Hanford Site

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    Contracting CH2M HILL Plateau Remediation Company Contracting ORP Contracts and Procurements RL Contracts and Procurements CH2M HILL Plateau Remediation Company Mission Support Alliance Washington Closure Hanford HPM Corporation (HPMC) Wastren Advantage, Inc. Bechtel National, Inc. Washington River Protection Solutions CH2M HILL Plateau Remediation Company Email Email Page | Print Print Page | Text Increase Font Size Decrease Font Size CH2M CH2M HILL Plateau Remediation Company is the prime

  19. Effect of antisymmetric CH stretching excitation on the dynamics of O({sup 1}D) + CH{sub 4} ? OH + CH{sub 3}

    SciTech Connect

    Pan, Huilin; Yang, Jiayue; Zhang, Dong; Shuai, Quan; Jiang, Bo [State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian, Liaoning 116023 (China)] [State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian, Liaoning 116023 (China); Dai, Dongxu; Wu, Guorong, E-mail: wugr@dicp.ac.cn, E-mail: xmyang@dicp.ac.cn; Yang, Xueming, E-mail: wugr@dicp.ac.cn, E-mail: xmyang@dicp.ac.cn [State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian, Liaoning 116023 (China) [State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian, Liaoning 116023 (China); Synergetic Innovation Center of Quantum Information and Quantum Physics, University of Science and Technology of China, Hefei, Anhui 230026 (China)

    2014-04-21

    The effect of antisymmetric CH stretching excitation of CH{sub 4} on the dynamics and reactivity of the O({sup 1}D) + CH{sub 4} ? OH + CD{sub 3} reaction at the collision energy of 6.10 kcal/mol has been investigated using the crossed-beam and time-sliced velocity map imaging techniques. The antisymmetric CH stretching mode excited CH{sub 4} molecule was prepared by direct infrared excitation. From the measured images of the CH{sub 3} products with the infrared laser on and off, the product translational energy and angular distributions were derived for both the ground and vibrationally excited reactions. Experimental results show that the vibrational energy of the antisymmetric stretching excited CH{sub 4} reagent is channeled exclusively into the vibrational energy of the OH co-products and, hence, the OH products from the excited-state reaction are about one vibrational quantum hotter than those from the ground-state reaction, and the product angular distributions are barely affected by the vibrational excitation of the CH{sub 4} reagent. The reactivity was found to be suppressed by the antisymmetric stretching excitation of CH{sub 4} for all observed CH{sub 3} vibrational states. The degree of suppression is different for different CH{sub 3} vibrational states: the suppression is about 40%60% for the ground state and the umbrella mode excited CH{sub 3} products, while for the CH{sub 3} products with one quantum symmetric stretching mode excitation, the suppression is much less pronounced. In consequence, the vibrational state distribution of the CH{sub 3} product from the excited-state reaction is considerably different from that of the ground-state reaction.

  20. Optical, Physical and Chemical Properties of Tar Balls Observed During the Yosemite Aerosol Characterization Study

    SciTech Connect

    Hand, Jenny L.; Malm, W. C.; Laskin, Alexander; Day, D. E.; Lee, Tae-bum; Wang, Chong M.; Carrico, C. E.; Carrillo, John R.; Cowin, James P.; Collett, J. G.; Iedema, Martin J.

    2005-11-09

    The Yosemite Aerosol Characterization Study of summer 2002 (YACS) occurred during an active fire season in the western U. S., and provided an opportunity to investigate many unresolved issues related to the radiative effects of biomass burning aerosols. Single particle analysis was performed on field collected aerosol samples using an array of electron microscopy techniques. Amorphous carbon spheres, or “tar balls”, were present in samples collected during episodes of high particle light scattering coefficients that occurred during the peak of a smoke/haze event. The highest concentrations of light-absorbing carbon from a dual-wavelength aethalometer (λ = 370 and 880 nm) occurred during periods when the particles were predominantly tar balls, indicating they do absorb light in the UV and near-IR range of the solar spectrum. Closure experiments of mass concentrations and light scattering coefficients during periods dominated by tar balls did not require any distinct assumptions of organic carbon molecular weight correction factors, density, or refractive index compared to periods dominated by other types of organic carbon aerosols. Measurements of the hygroscopic behavior of tar balls using an environmental SEM indicate that tar balls do not exhibit deliquescence, but do uptake some water at high (~83 %) relative humidity. The ability of tar balls to efficiently scatter and absorb light, and to absorb water has important implications for their role in regional haze and climate fence.

  1. Control design and robustness analysis of a ball and plate system by using polynomial chaos

    SciTech Connect

    Coln, Diego; Balthazar, Jos M.; Reis, Clia A. dos; Bueno, tila M.; Diniz, Ivando S.; Rosa, Suelia de S. R. F.

    2014-12-10

    In this paper, we present a mathematical model of a ball and plate system, a control law and analyze its robustness properties by using the polynomial chaos method. The ball rolls without slipping. There is an auxiliary robot vision system that determines the bodies' positions and velocities, and is used for control purposes. The actuators are to orthogonal DC motors, that changes the plate's angles with the ground. The model is a extension of the ball and beam system and is highly nonlinear. The system is decoupled in two independent equations for coordinates x and y. Finally, the resulting nonlinear closed loop systems are analyzed by the polynomial chaos methodology, which considers that some system parameters are random variables, and generates statistical data that can be used in the robustness analysis.

  2. Magnon Condensation into a Q Ball in {sup 3}He-B

    SciTech Connect

    Bunkov, Yu. M.; Volovik, G. E.

    2007-06-29

    The theoretical prediction of Q balls in relativistic quantum fields is realized here experimentally in superfluid {sup 3}He-B. The condensed-matter analogs of relativistic Q balls are responsible for an extremely long-lived signal of magnetic induction observed in NMR at the lowest temperatures. This Q ball is another representative of a state with phase coherent precession of nuclear spins in {sup 3}He-B, similar to the well-known homogeneously precessing domain, which we interpret as Bose-Einstein condensation of spin waves--magnons. At large charge Q, the effect of self-localization is observed. In the language of relativistic quantum fields it is caused by interaction between the charged and neutral fields, where the neutral field provides the potential for the charged one. In the process of self-localization the charged field modifies locally the neutral field so that the potential well is formed in which the charge Q is condensed.

  3. Enforcement Letter, CH2M Hill- October 4, 2004

    Energy.gov [DOE]

    Issued to CH2M Hill related to at a Lapse in Dosimetry Accreditation at the Separations Process Research Unit

  4. Structural and microstructural changes in monoclinic ZrO{sub 2} during the ball-milling with stainless steel assembly

    SciTech Connect

    Stefanic, G. . E-mail: stefanic@irb.hr; Music, S.; Gajovic, A.

    2006-04-13

    High-energy ball-milling of monoclinic ZrO{sub 2} was performed in air using the planetary ball mill with a stainless steel milling assembly. Structural and microstructural changes during the ball-milling were monitored using X-ray powder diffraction, Raman spectroscopy, Moessbauer spectroscopy, field emission scanning electron microscopy and energy dispersive X-ray spectrometry. The results of line broadening analysis indicated a decrease in the crystallite size and an increase in the microstrains with the ball-milling time increased up to {approx}150 min. The results of quantitative phase analysis indicated the presence of a very small amount of tetragonal ZrO{sub 2} phase in this early stage of ball-milling. The onset of m-ZrO{sub 2} {sup {yields}} t-ZrO{sub 2} transition occurred between 10 and 15 h of ball-milling, which resulted in a complete transition after 20 h of ball-milling. Further ball-milling caused a decrease of the t-ZrO{sub 2} lattice parameters followed by a probable transition into c-ZrO{sub 2}. It was concluded that the stabilization of t- and c-ZrO{sub 2} polymorphs at RT can be attributed to the incorporation of aliovalent cations (Fe{sup 2+}, Fe{sup 3+} and Cr{sup 3+}) introduced into the sample due to the wear and oxidation of the milling media.

  5. Geologic investigation of roof and floor strata: longwall demonstration, Old Ben Mine No. 24. Prediction of coal balls in the Herrin Coal. Final technical report: Part 2. [Mineralized peat balls

    SciTech Connect

    DeMaris, P.J.; Bauer, R.A.; Cahill, R.A.; Damberger, H.H.

    1983-04-01

    Coal-ball areas, large deposits of mineralized peat in the coal seam, obstructed longwall mining in the Herrin Coal at Old Ben Mine No. 24. In-mine mapping located coal balls under transitional roof - areas where the roof lithology alternates between the Energy Shale and the Anna Shale/Brereton Limestone. Specifically, coal balls occur under eroded exposures or windows of the marine Anna Shale/Brereton Limestone in the Energy Shale. Two types of coal-ball areas have been identified, based on stratigraphic position in the coal seam: type I is restricted to the top of the seam, and type II occurs at midseam and below. To predict the distribution of coal balls, as well as explain their formation, a depositional model was developed: First, freshwater sediments buried the Herrin peat. Decomposition of the sealed peat continued, producing high CO/sub 2/ partial pressures; then selective erosion took place as a river removed the cover along sinuous paths, cutting through to the peat in some places. With the seal broken, CO/sub 2/ was released, and freshwaters that contained Ca and Mg ions flushed out organic acids. Later, marine mud buried both the freshwater sediments and the exposed peat, which accounts for the transitional roof over the Herrin Coal and the coal balls under the marine shale windows in the Energy Shale. The depositional model was supported by the first comprehensive set of geochemical data for coal balls. Coal balls generally contained less than 4 percent organic carbon and very low levels of detrital minerals. Although individual sites of concentrated coal balls cannot be predicted, the specific linear roof exposures associated with these coal-ball areas can be identified by mapping. Based on previously mapped areas, the trends of these linear exposures can be projected.

  6. Symmetry breaking in (gravitating) scalar field models describing interacting boson stars and Q-balls

    SciTech Connect

    Brihaye, Yves; Caebergs, Thierry; Hartmann, Betti; Minkov, Momchil

    2009-09-15

    We investigate the properties of interacting Q-balls and boson stars that sit on top of each other in great detail. The model that describes these solutions is essentially a (gravitating) two-scalar field model where both scalar fields are complex. We construct interacting Q-balls or boson stars with arbitrarily small charges but finite mass. We observe that in the interacting case--where the interaction can be either due to the potential or due to gravity--two types of solutions exist for equal frequencies: one for which the two-scalar fields are equal, but also one for which the two-scalar fields differ. This constitutes a symmetry breaking in the model. While for Q-balls asymmetric solutions have always corresponding symmetric solutions and are thus likely unstable to decay to symmetric solutions with lower energy, there exists a parameter regime for interacting boson stars, where only asymmetric solutions exist. We present the domain of existence for two interacting nonrotating solutions as well as for solutions describing the interaction between rotating and nonrotating Q-balls and boson stars, respectively.

  7. Ball State University Completes Nation's Largest Ground-Source Geothermal System with Support from Recovery Act

    Energy.gov [DOE]

    As part of the Obama Administration's all-of-the-above approach to American energy, the Energy Department today congratulated Ball State University for its campus-wide ground-source geothermal system, the nation's largest geothermal heating and cooling system.

  8. New Q-ball solutions in gauge-mediation, Affleck-Dine baryogenesis and gravitino dark matter

    SciTech Connect

    Doddato, Francesca; McDonald, John E-mail: j.mcdonald@lancaster.ac.uk

    2012-06-01

    Affleck-Dine (AD) baryogenesis along a d = 6 flat direction in gauge-mediated supersymmetry-breaking (GMSB) models can produce unstable Q-balls which naturally have field strength similar to the messenger scale. In this case a new kind of Q-ball is formed, intermediate between the gravity-mediated and gauge-mediated types. We study in detail these new Q-ball solutions, showing how their properties interpolate between standard gravity-mediated and gauge-mediated Q-balls as the AD field becomes larger than the messenger scale. It is shown that E/Q for the Q-balls can be greater than the nucleon mass but less than the MSSM-LSP mass, leading to Q-ball decay primarily to Standard Model fermions. More significantly, if E/Q is greater than the MSSM-LSP mass, decaying Q-balls can provide a natural source of non-thermal MSSM-LSPs, which can subsequently decay to gravitino dark matter without violating nucleosynthesis constraints. The model therefore provides a minimal scenario for baryogenesis and gravitino dark matter in the gauge-mediated MSSM, requiring no new fields.

  9. Decay rates of Gaussian-type I-balls and Bose-enhancement effects in 3+1 dimensions

    SciTech Connect

    Kawasaki, Masahiro; Yamada, Masaki

    2014-02-03

    I-balls/oscillons are long-lived spatially localized lumps of a scalar field which may be formed after inflation. In the scalar field theory with monomial potential nearly and shallower than quadratic, which is motivated by chaotic inflationary models and supersymmetric theories, the scalar field configuration of I-balls is approximately Gaussian. If the I-ball interacts with another scalar field, the I-ball eventually decays into radiation. Recently, it was pointed out that the decay rate of I-balls increases exponentially by the effects of Bose enhancement under some conditions and a non-perturbative method to compute the exponential growth rate has been derived. In this paper, we apply the method to the Gaussian-type I-ball in 3+1 dimensions assuming spherical symmetry, and calculate the partial decay rates into partial waves, labelled by the angular momentum of daughter particles. We reveal the conditions that the I-ball decays exponentially, which are found to depend on the mass and angular momentum of daughter particles and also be affected by the quantum uncertainty in the momentum of daughter particles.

  10. Decay rates of Gaussian-type I-balls and Bose-enhancement effects in 3+1 dimensions

    SciTech Connect

    Kawasaki, Masahiro; Yamada, Masaki E-mail: yamadam@icrr.u-tokyo.ac.jp

    2014-02-01

    I-balls/oscillons are long-lived spatially localized lumps of a scalar field which may be formed after inflation. In the scalar field theory with monomial potential nearly and shallower than quadratic, which is motivated by chaotic inflationary models and supersymmetric theories, the scalar field configuration of I-balls is approximately Gaussian. If the I-ball interacts with another scalar field, the I-ball eventually decays into radiation. Recently, it was pointed out that the decay rate of I-balls increases exponentially by the effects of Bose enhancement under some conditions and a non-perturbative method to compute the exponential growth rate has been derived. In this paper, we apply the method to the Gaussian-type I-ball in 3+1 dimensions assuming spherical symmetry, and calculate the partial decay rates into partial waves, labelled by the angular momentum of daughter particles. We reveal the conditions that the I-ball decays exponentially, which are found to depend on the mass and angular momentum of daughter particles and also be affected by the quantum uncertainty in the momentum of daughter particles.

  11. Gas-Liquid Transition in a Two-Dimensional System of Millimeter-Sized Like-Charged Metal Balls

    SciTech Connect

    Tata, B. V. R.; Rajamani, P. V.; Wasan, D. T.

    2000-04-17

    Metal balls with a diameter of 1.59 mm, gently rubbed against a dielectric surface using a shaker, are seen to spontaneously exhibit a two-dimensional liquidlike order with macroscopic dimensions, viz., interball distances of several millimeters. This liquidlike order transforms to a gaslike order through coexistence upon decreasing the area fraction of the balls. The measured pair interaction of like-charged balls surprisingly exhibits a long-range attractive term analogous to that in charged colloids. (c) 2000 The American Physical Society.

  12. Ceramic bearing development. Silicon nitride bearing balls of improved reliability: Thermal oxidation. Final report, 1 January 1995-31 October 1996

    SciTech Connect

    Burk, C.B.

    1996-11-01

    The major objective of this work was to improve the reliability of silicon nitride bearing balls by means of an optimized thermal oxidation treatment. Previous work had shown that the thermal fracture resistance of silicon nitride bearing balls increased when the balls were heated and oxidized in air. An optimized oxidation treatment for NBD-200 silicon nitride balls was developed, using a thermal proof test matrix. This oxidation treatment increased the thermal fracture resistance of the balls. Ball-on-rod RCF testing of oxidized and non-oxidized balls was performed at 786 KSI contact stress, with nitrided M50-NIL rods. RCF testing did not produce a significant percentage of ball failures for either the oxidized or non-oxidized condition. Alternative methods, such as four ball fatigue testing, should be considered for future work. The oxidation treatment degraded ball surface and geometry, and is suspected as a contributing factor to short rod life. Oxidation treatment does not appear to be a useful technique for improving the reliability of NBD-200 bearing balls.

  13. Ch. I, Report on Waunita Hot Springs Project, Gunnison County...

    OpenEI (Open Energy Information) [EERE & EIA]

    Report: Ch. I, Report on Waunita Hot Springs Project, Gunnison County, Colorado Author K. W. Nickerson and Associates Editor T. G. Zacharakis Published Colorado Geological...

  14. Voluntary Protection Program Onsite Review, CH2M HILL Plateau...

    Energy.gov [DOE] (indexed site)

    Programs Participants' Association (VPPPA) Presentation: Conducting your Annual VPP Self Assessment Voluntary Protection Program Onsite Review, CH2M HILL Analytical Technical...

  15. CH Packaging Operations for High Wattage Waste at LANL

    SciTech Connect

    Washington TRU Solutions LLC

    2005-04-04

    This procedure provides instructions for assembling the following CH packaging payload: Drum payload assembly Standard Waste Box (SWB) assembly Ten-Drum Overpack (TDOP).

  16. CH Packaging Operations for High Wattage Waste at LANL

    SciTech Connect

    Washington TRU Solutions LLC

    2005-04-13

    This procedure provides instructions for assembling the following CH packaging payload: Drum payload assembly Standard Waste Box (SWB) assembly Ten-Drum Overpack (TDOP).

  17. 2011 Annual Planning Summary for Chicago Operations Office (CH...

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    2011 Annual Planning Summary for Chicago Operations Office (CH) The ongoing and projected Environmental Assessments and Environmental Impact Statements for 2011 and 2012 within ...

  18. Experimental Confirmation of CH Mandrel Removal from Be Shells...

    Office of Scientific and Technical Information (OSTI)

    Experimental Confirmation of CH Mandrel Removal from Be Shells Citation Details ... Although the plastic mandrel may not be a design issue, it is a fielding issue because at ...

  19. Graphene Oxide Catalyzed C-H Bond Activation: The Importance...

    Office of Scientific and Technical Information (OSTI)

    Graphene Oxide Catalyzed C-H Bond Activation: The Importance Oxygen Functional Groups for Biaryl Construction Citation Details In-Document Search Title: Graphene Oxide Catalyzed C-...

  20. Ch. VII, Temperature, heat flow maps and temperature gradient...

    OpenEI (Open Energy Information) [EERE & EIA]

    Report: Ch. VII, Temperature, heat flow maps and temperature gradient holes Author T. G. Zacharakis Editor T. G. Zacharakis Published Colorado Geological Survey in Cooperation...

  1. Compact Q-balls and Q-shells in a scalar electrodynamics

    SciTech Connect

    Arodz, H.; Lis, J.

    2009-02-15

    We investigate spherically symmetric nontopological solitons in electrodynamics with a scalar field self-interaction U{approx}|{psi}| taken from the complex signum-Gordon model. We find Q-balls for small absolute values of the total electric charge Q, and Q-shells when |Q| is large enough. In both cases the charge density exactly vanishes outside certain compact regions in the three-dimensional space. The dependence of the total energy E of small Q-balls on the total electric charge has the form E{approx}|Q|{sup 5/6}, while in the case of very large Q-shells, E{approx}|Q|{sup 7/6}.

  2. A Ball Lightning Model as a Possible Explanation of Recently Reported Cavity Lights

    SciTech Connect

    Fryberger, David; /SLAC

    2009-08-04

    The salient features of cavity lights, in particular, mobile luminous objects (MLO's), as have been experimentally observed in superconducting accelerator cavities, are summarized. A model based upon standard electromagnetic interactions between a small particle and the 1.5 GHz cavity excitation field is described. This model can explain some features of these data, in particular, the existence of particle orbits without wall contact. While this result is an important success for the model, it is detailed why the model as it stands is incomplete. It is argued that no avenues for a suitable extension of the model through established physics appear evident, which motivates an investigation of a model based upon a more exotic object, ball lightning. As discussed, further motivation derives from the fact that there are significant similarities in many of the qualitative features of ball lightning and MLO's, even though they appear in quite different circumstances and differ in scale by orders of magnitude. The ball lightning model, which incorporates electromagnetic charges and currents, is based on a symmetrized set of Maxwell's equations in which the electromagnetic sources and fields are characterized by a process called dyality rotation. It is shown that a consistent mathematical description of dyality rotation as a physical process can be achieved by adding suitable (phenomenological) current terms to supplement the usual current terms in the symmetrized Maxwell's equations. These currents, which enable the conservation of electric and magnetic charge, are called vacuum currents. It is shown that the proposed ball lightning model offers a good qualitative explanation of the perplexing aspects of the MLO data. Avenues for further study are indicated.

  3. CH2M HILL Plateau Remediation Company | Department of Energy

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    CH2M HILL Plateau Remediation Company CH2M HILL Plateau Remediation Company The Office of Hea1th, Safety and Security's Office of Enforcement and Oversight has evaluated the facts and circumstances of a series of radiological work deficiencies at the Plutonium Finishing Plant (PFP) and the 105 K-East Reactor Facility (105KE Reactor) by CH2M HILL Plateau Remediation Company (CHPRC). The radiological work deficiencies at PFP are documented in the April 29, 2011, Department of Energy Richland

  4. Contract No. DE-AC02-07CH11358

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    Modification No. 0204 Appendix B ATTACHMENT J.2 APPENDIX B PERFORMANCE EVALUATION MEASUREMENT PLAN (PEMP) Applicable to the Operation of Ames Laboratory Contract No. DE-AC02-07CH11358 Contract No. DE-AC02-07CH11358 Modification No. 0204 Appendix B FY 2017 CONTRACTOR PERFORMANCE EVALUATION AND MEASUREMENT PLAN FOR MANAGEMENT AND OPERATIONS OF THE AMES LABORATORY U.S. DEPARTMENT OF ENERGY AMES SITE OFFICE Contract No. DE-AC02-07CH11358 Modification No. 0204 Appendix B This page intentionally left

  5. Remotely maintainable top-loading captive ball valve system for ICPP

    SciTech Connect

    Berry, S.M.

    1994-12-31

    A program was undertaken for the remote maintenance of valve boxes at the Idaho Chemical Processing Plant. The remote adaptive features developed for a 3-in. top-loading captive ball valve have been fabricated and thoroughly tested on a prototype 3-in. valve unit located at the RRMTF. Remote disassembly/assembly has been successfully demonstrated on numerous occasions by the RSA group at WINCO. In addition, the remotely detachable valve actuator rod has also been successfully demonstrated on this prototype unit. Approximately 150 valves of several sizes with remote adaptive features based on WINCO`s prototype development by the RSA group are currently being manufactured.

  6. Generation of drugs coated iron nanoparticles through high energy ball milling

    SciTech Connect

    Radhika Devi, A.; Murty, B. S.; Chelvane, J. A.; Prabhakar, P. K.; Padma Priya, P. V.; Doble, Mukesh

    2014-03-28

    The iron nanoparticles coated with oleic acid and drugs such as folic acid/Amoxicillin were synthesized by high energy ball milling and characterized by X-ray diffraction, Transmission electron microscope, zeta potential, dynamic light scattering, Fourier Transform Infra red (FT-IR) measurements, and thermo gravimetric analysis (TGA). FT-IR and TGA measurements show good adsorption of drugs on oleic acid coated nanoparticles. Magnetic measurements indicate that saturation magnetization is larger for amoxicillin coated particles compared to folic acid coated particles. The biocompatibility of the magnetic nanoparticles prepared was evaluated by in vitro cytotoxicity assay using L929 cells as model cells.

  7. Gravitational Waves from Fragmentation of a Primordial Scalar Condensate into Q Balls

    SciTech Connect

    Kusenko, Alexander; Mazumdar, Anupam

    2008-11-21

    A generic consequence of supersymmetry is the formation of a scalar condensate along the flat directions of the potential at the end of cosmological inflation. This condensate is usually unstable, and it can fragment into nontopological solitons, Q balls. The gravitational waves produced by the fragmentation can be detected by the Laser Interferometer Space Antenna, Advanced Laser Interferometer Gravitational-Wave Observatory, and Big Bang Observer, which can open an important window to the early Universe and the physics at some very high energy scales.

  8. Grinding Wear Behaviour of Stepped Austempered Ductile Iron as Media Material During Comminution of Iron Ore in Ball Mills

    SciTech Connect

    Raghavendra, H.; Bhat, K. L.; Udupa, K. Rajendra; Hegde, M. M. Rajath

    2011-01-17

    An attempt has been made to evaluate the suitability of austempered ductile iron (ADI) as media material for grinding iron ore in a ball mill. Spheroidal graphite (S.G) iron balls are austenitised at 900 deg. C for 60 minutes and given stepped austempering treatment at 280 deg. C for 30 minutes and 60 minutes followed by 380 deg. C for 60 minutes in each case. These materials are characterised by measuring hardness, analysing X-ray diffraction (X-RD), studying microstructure using optical and scanning electron microscope (SEM). Grinding wear behaviour of these materials was assessed for wear loss in wet condition at different pH value of the mineral slurry and found that the wear rate of grinding media material decreases with increase in pH of the slurry. The wear resistance of ADI balls were compared with forged En31 steel balls and found that the stepped austempered ductile iron is superior to forged En31 steel balls.

  9. CH2M Hill Ltd | Open Energy Information

    OpenEI (Open Energy Information) [EERE & EIA]

    in consulting, design, engineering, procurement, construction, and operations and maintenance. References: CH2M Hill Ltd1 This article is a stub. You can help OpenEI by...

  10. Voluntary Protection Program Onsite Review, CH2M HILL Analytical...

    Energy.gov [DOE] (indexed site)

    Evaluation to determine whether CH2M HILL Analytical Technical Services is continuing to perform at a level deserving DOE-VPP Star recognition. The Team conducted its review during...

  11. Central Characterization Program (CCP) Contact-Handled (CH) TRU Waste

    Office of Environmental Management (EM)

    Certification and Waste Information System/Waste Data System (WWIS/WDS) Data Entry | Department of Energy Contact-Handled (CH) TRU Waste Certification and Waste Information System/Waste Data System (WWIS/WDS) Data Entry Central Characterization Program (CCP) Contact-Handled (CH) TRU Waste Certification and Waste Information System/Waste Data System (WWIS/WDS) Data Entry This document was used to determine facts and conditions during the Department of Energy Accident Investigation Board's

  12. Modeling of an adsorption unit packed with amidoxime fiber balls for the recovery of uranium from seawater

    SciTech Connect

    Morooka, S.; Kato, T.; Inada, M.; Kago, T.; Kusakabe, K. )

    1991-01-01

    Amidoxime fiber adsorbents are prepared by treating commercial poly(acrylonitrile) fibers with NH{sub 2}OH in methanol and then with an aqueous NaOH solution. The rate of adsorption of uranium from seawater is 0.1-0.3 (g of U/kg of dry fiber)/day. The fiber is placed in 2-cm-diameter spherical shells of plastic net, and these fibrous balls are packed in a column. Seawater is assumed to flow through the packed bed by the kinetic force of the ocean current. The permeation velocity of liquid in each ball is evaluated with a small electrode that detects the electrochemical limiting current. When the permeation velocity is slow, most uranyl ions are adsorbed only in the peripheral part of the ball. In this paper a model of the packed bed absorption unit is proposed and a numerical calculation gives optimum values of design parameters.

  13. The crystallization of the nanometersized amorphous ceramic powders by ball milling

    SciTech Connect

    Fan, G.J.; Song, X.P.; Li, Y.L.

    1995-12-31

    The nanometersized amorphous Si{sub 3}N{sub 4} and Si-N-C powders are subjected by high-energy ball milling in order to induce a crystallization process. It was found that after initial 4 seconds of milling a-Si{sub 3}N{sub 4} may rapidly crystallize into a mixture of {alpha}-Si{sub 3}N{sub 4} and {beta}-Si{sub 3}N{sub 4} whereas amorphous Si-N-C powders remain in the amorphous state. These results cannot be interpreted with the local effective temperature rise at the collision sites and the increase of the impurity levels which drive the crystallization. The observed structural changes occurring in a-Si{sub 3}N{sub 4} can be attributed to the mechanical deformation which alters the bonding nature of a-Si{sub 3}N{sub 4}. It was concluded that ball milling is an effective tool to induce the crystallization of some amorphous metallic systems.

  14. Hydro-ball in-core instrumentation system and method of operation

    DOEpatents

    Tower, Stephen N.; Veronesi, Luciano; Braun, Howard E.

    1990-01-01

    A hydro-ball in-core instrumentation system employs detector strings each comprising a wire having radiation sensitive balls affixed diametrically at spaced positions therealong and opposite tip ends of which are transportable by fluid drag through interior passageways. In the passageways primary coolant is caused to flow selectively in first and second opposite directions for transporting the detector strings from stored positions in an exterior chamber to inserted positions within the instrumentation thimbles of the fuel rod assemblies of a pressure vessel, and for return. The coolant pressure within the detector passageways is the same as that within the vessel; face contact, disconnectable joints between sections of the interior passageways within the vessel facilitate assembly and disassembly of the vessel for refueling and routine maintenance operations. The detector strings may pass through a very short bend radius thereby minimizing space requirements for the connections of the instrumentation system to the vessel and concomitantly the vessel containment structure. Improved radiation mapping and a significant reduction in potential exposure of personnel to radiation are provided. Both top head and bottom head penetration embodiments are disclosed.

  15. Constraining modular inflation in the MSSM from giant Q-ball formation

    SciTech Connect

    Berkooz, Micha; Volansky, Tomer; Chung, Daniel J. H.

    2006-03-15

    We discuss constraints on which flat directions can have large vacuum expectation values (VEVs) after inflation. We show that only flat directions which are not charged under B-L and develop positive pressure due to renormalization group effects can have large VEVs of order M{sub Pl}. For example, within the MSSM only the H{sub u}H{sub d} flat direction is found to be viable. This strongly constrains the embedding of a broad class of inflationary models in the MSSM or some other supersymmetric extension of the SM. For flat directions with negative pressure, the condensate fragments into very large Q-balls which we call Q-giants. We discuss the formation, evolution and reheating of these Q-giants and show that they decay too late. The analysis requires taking into account new phases of the flat directions, which have been overlooked in the formation and dynamics of the Q-balls. These constraints may be ameliorated by invoking a short period of thermal inflation. The latter, however, is viable in a very narrow window of parameter space and requires fine tuning.

  16. Thermoelectric properties of CuAlCh{sub 2} (Ch = S, Se and Te)

    SciTech Connect

    Gudelli, Vijay Kumar; Kanchana, V.; Vaitheeswaran, G.

    2015-06-24

    Electronic and thermoelectric properties of ternary chalcopyrite-type CuAlCh{sub 2} (S, Se and Te) were studied using the first principles density functional calculations implemented in the full potential linear augmented plane wave (FP-LAPW) method. The thermoelectric properties are calculated by solving the Boltzmann transport equation within the constant relaxation time approximation. The calculated band gap using the Tran-Blaha modified Becke-Johnson potential (TB-mBJ), of all the compounds are in good agreement with the available experiment and other theoretical reports. Thermoelectric properties like thermopower, electrical conductivity scaled by relaxation time are calculated as a function of carrier concentrations at different temperatures. The calculated thermoelectric properties are compared with the available experiment and other theoretical calculations of similar materials.

  17. Ceramic bearing development, Volume 2. Development of surface acoustic wave NDE for silicon nitride balls. Interim report, 1 July 1992-1 October 1994

    SciTech Connect

    Hseith, C.K.P.; Khuri-Yakub, B.T.; Burk, C.

    1995-03-01

    The Major Objective of the Development of a Surface Acoustic Wave Nondestructive Evaluation (NDE) Technique for Silicon Nitride Balls was to improve hybrid bearing reliability by the elimination of critical size flaws that cause early failures. A Surface Acoustic Wave NDE technique was developed for Norton Advanced Ceramics NBD-200 silicon nitride balls. System performance was verified on balls with both natural and artificial flaws. A production lot of NBD-200 balls was tested using this method. The production lot was sorted for fatigue testing at 2.9 MPa (420 KSI) contact stress at The Timken Co. Results suggest that the technique can readily identify certain life limiting flaws. However, fatigue testing of balls inspected with this technique showed no improvement in reliability.

  18. Coupled analysis of high and low frequency resonant ultrasound spectroscopy: Application to the detection of defects in ceramic balls

    SciTech Connect

    Deneuville, Francois; Duquennoy, Marc; Ouaftouh, Mohammadi; Jenot, Frederic; Ourak, Mohamed; Desvaux, Sebastien

    2009-05-15

    A coupled analysis of high and low frequency resonant ultrasound spectroscopy of spheroidal modes is presented in this paper. Experimentally, by using an ultrasonic probe for the excitation (piezoelectric transducer) and a heterodyne optic probe for the receiver (interferometer), it was possible to take spectroscopic measurements of spheroidal vibrations over a large frequency range of 100 kHz-45 MHz in a continuous regime. This wide analysis range enabled variations in velocity due to the presence of defects to be differentiated from the inherent characteristics of the balls and consequently, it offers the possibility of detecting cracks independently of production variations. This kind of defect is difficult to detect because the C-shaped surface crack is very small and narrow (500x5 {mu}m{sup 2}), and its depth does not exceed 50 {mu}m. The proposed methodology can excite spheroidal vibrations in the ceramic balls and detect such vibrations over a large frequency range. On the one hand, low frequency resonances are used in order to estimate the elastic coefficients of the balls according to various inspection depths. This method has the advantage of providing highly accurate evaluations of the elastic coefficients over a wide frequency range. On the other hand, high frequency vibrations are considered because they are similar to the surface waves propagating in the surface zone of the ceramic balls and consequently can be used to detect C-crack defects.

  19. Results of the radiological survey of the Excelsior Steel Ball Company, Tonawanda, New York (TNY005)

    SciTech Connect

    McKenzie, S.P.; Brown, K.S.

    1998-07-01

    At the request of the US Department of Energy (DOE), a team from Oak Ridge National Laboratory conducted two radiological surveys of property belonging to the Excelsior Steel Ball Company, which is surrounded on three sides by the former site of the Linde Uranium Refinery, Tonawanda, New York. The surveys were performed in September 1997 and February 1998. The purpose of the first survey was to determine if radioactive residuals were present from previous activities at the former Linde site. The Linde Air Products Division of Union Carbide Corporation, Tonawanda, New York, had used radioactive materials at that location for work performed under government contract from 1942 through 1948. The purpose of the second survey was to collect additional biased samples from an area of the site where biased sample results showed slightly elevated levels of thorium-232.

  20. Non-stationary dynamics in the bouncing ball: A wavelet perspective

    SciTech Connect

    Behera, Abhinna K., E-mail: abhinna@iiserkol.ac.in; Panigrahi, Prasanta K., E-mail: pprasanta@iiserkol.ac.in [Department of Physical Sciences, Indian Institute of Science Education and Research (IISER) Kolkata, Mohanpur 741246 (India); Sekar Iyengar, A. N., E-mail: ansekar.iyengar@saha.ac.in [Plasma Physics Division, Saha Institute of Nuclear Physics (SINP), Sector 1, Block-AF, Bidhannagar, Kolkata 700064 (India)

    2014-12-01

    The non-stationary dynamics of a bouncing ball, comprising both periodic as well as chaotic behavior, is studied through wavelet transform. The multi-scale characterization of the time series displays clear signatures of self-similarity, complex scaling behavior, and periodicity. Self-similar behavior is quantified by the generalized Hurst exponent, obtained through both wavelet based multi-fractal detrended fluctuation analysis and Fourier methods. The scale dependent variable window size of the wavelets aptly captures both the transients and non-stationary periodic behavior, including the phase synchronization of different modes. The optimal time-frequency localization of the continuous Morlet wavelet is found to delineate the scales corresponding to neutral turbulence, viscous dissipation regions, and different time varying periodic modulations.

  1. Performance improvement of silicon nitride ball bearings by ion implantation. CRADA final report

    SciTech Connect

    Williams, J.M.; Miner, J.

    1998-03-01

    The present report summarizes technical results of CRADA No. ORNL 92-128 with the Pratt and Whitney Division of United Technologies Corporation. The stated purpose of the program was to assess the 3effect of ion implantation on the rolling contact performance of engineering silicon nitride bearings, to determine by post-test analyses of the bearings the reasons for improved or reduced performance and the mechanisms of failure, if applicable, and to relate the overall results to basic property changes including but not limited to swelling, hardness, modulus, micromechanical properties, and surface morphology. Forty-two control samples were tested to an intended runout period of 60 h. It was possible to supply only six balls for ion implantation, but an extended test period goal of 150 h was used. The balls were implanted with C-ions at 150 keV to a fluence of 1.1 {times} 10{sup 17}/cm{sup 2}. The collection of samples had pre-existing defects called C-cracks in the surfaces. As a result, seven of the control samples had severe spalls before reaching the goal of 60 h for an unacceptable failure rate of 0.003/sample-h. None of the ion-implanted samples experienced engineering failure in 150 h of testing. Analytical techniques have been used to characterize ion implantation results, to characterize wear tracks, and to characterize microstructure and impurity content. In possible relation to C-cracks. It is encouraging that ion implantation can mitigate the C-crack failure mode. However, the practical implications are compromised by the fact that bearings with C-cracks would, in no case, be acceptable in engineering practice, as this type of defect was not anticipated when the program was designed. The most important reason for the use of ceramic bearings is energy efficiency.

  2. Contract No. DE-AC02-07CH11358

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    Contract No. DE-AC02-07CH11358 Modification No. 0171 Section B i PART I SECTION B SUPPLIES OR SERVICES AND PRICES/COSTS TABLE OF CONTENTS PAGE NO. B.1 - SERVICE BEING ACQUIRED B-1 B.2 - OBLIGATION OF FUNDS AND FINANCIAL LIMITATIONS B-1 B.3 - PERFORMANCE AND OTHER INCENTIVE FEES B-1 B.4 - ALLOWABILITY OF SUBCONTRACTOR FEE B-3 B.5 - PROVISIONAL PAYMENT OF PERFORMANCE FEE B-3 Contract No. DE-AC02-07CH11358 Modification No. 0171 Section B B-1 PART I SECTION B - SUPPLIES OR SERVICES AND PRICES/COSTS

  3. CH Packaging Operations for High Wattage Waste at LANL

    SciTech Connect

    Washington TRU Solutions LLC

    2003-05-06

    This procedure provides instructions for assembling the following contact-handled (CH) packaging payloads: - Drum payload assembly - Standard Waste Box (SWB) assembly - Ten-Drum Overpack (TDOP) In addition, this procedure also provides operating instructions for the TRUPACT-II CH waste packaging. This document also provides instructions for performing ICV and OCV preshipment leakage rate tests on the following packaging seals, using a nondestructive helium (He) leak test: - ICV upper main O-ring seal - ICV outer vent port plug O-ring seal - OCV upper main O-ring seal - OCV vent port plug O-ring seal.

  4. CH Packaging Operations for High Wattage Waste at LANL

    SciTech Connect

    Washington TRU Solutions LLC

    2003-08-28

    This procedure provides instructions for assembling the following contact-handled (CH) packaging payloads: - Drum payload assembly - Standard Waste Box (SWB) assembly - Ten-Drum Overpack (TDOP) In addition, this procedure also provides operating instructions for the TRUPACT-II CH waste packaging. This document also provides instructions for performing ICV and OCV preshipment leakage rate tests on the following packaging seals, using a nondestructive helium (He) leak test: - ICV upper main O-ring seal - ICV outer vent port plug O-ring seal - OCV upper main O-ring seal - OCV vent port plug O-ring seal.

  5. CH Packaging Operations for High Wattage Waste at LANL

    SciTech Connect

    Washington TRU Solutions LLC

    2003-03-21

    This procedure provides instructions for assembling the following contact-handled (CH) packaging payloads: - Drum payload assembly - Standard Waste Box (SWB) assembly - Ten-Drum Overpack (TDOP) In addition, this procedure also provides operating instructions for the TRUPACT-II CH waste packaging. This document also provides instructions for performing ICV and OCV preshipment leakage rate tests on the following packaging seals, using a nondestructive helium (He) leak test: - ICV upper main O-ring seal - ICV outer vent port plug O-ring seal - OCV upper main O-ring seal - OCV vent port plug O-ring seal.

  6. CH Packaging Operations for High Wattage Waste at LANL

    SciTech Connect

    Washington TRU Solutions LLC

    2002-10-17

    This procedure provides instructions for assembling the following contact-handled (CH) packaging payloads: - Drum payload assembly - Standard Waste Box (SWB) assembly - Ten-Drum Overpack (TDOP) In addition, this procedure provides operating instructions for the TRUPACT-II CH waste packaging. This document also provides instructions for performing ICV and OCV preshipment leakage rate tests on the following packaging seals, using a nondestructive helium (He) leak test: - ICV upper main O-ring seal - ICV outer vent port plug O-ring seal - OCV upper main O-ring seal - OCV vent port plug O-ring seal.

  7. CH Packaging Operations for High Wattage Waste at LANL

    SciTech Connect

    Washington TRU Solutions LLC

    2002-12-18

    This procedure provides instructions for assembling the following contact-handled (CH) packaging payloads: - Drum payload assembly - Standard Waste Box (SWB) assembly - Ten-Drum Overpack (TDOP) In addition, this procedure also provides operating instructions for the TRUPACT-II CH waste packaging. This document also provides instructions for performing ICV and OCV preshipment leakage rate tests on the following packaging seals, using a nondestructive helium (He) leak test: - ICV upper main O-ring seal - ICV outer vent port plug O-ring seal - OCV upper main O-ring seal - OCV vent port plug O-ring seal.

  8. Electronic structure, transport, and phonons of SrAgChF (Ch = S,Se,Te): Bulk superlattice thermoelectrics

    DOE PAGES [OSTI]

    Gudelli, Vijay Kumar; Kanchana, V.; Vaitheeswaran, G.; Singh, David J.; Svane, Axel; Christensen, Niels Egede; Mahanti, Subhendra D.

    2015-07-15

    Here, we report calculations of the electronic structure, vibrational properties, and transport for the p-type semiconductors, SrAgChF (Ch = S, Se, and Te). We find soft phonons with low frequency optical branches intersecting the acoustic modes below 50 cm–1, indicative of a material with low thermal conductivity. The bands at and near the valence-band maxima are highly two-dimensional, which leads to high thermopowers even at high carrier concentrations, which is a combination that suggests good thermoelectric performance. These materials may be regarded as bulk realizations of superlattice thermoelectrics.

  9. Synthesis and coordination chemistry of the first water-soluble dithio-bis(phosphine) ligands [(HOH{sub 2}C){sub 2}P(CH{sub 2}){sub 2}S-X-S(CH{sub 2}){sub 2}P(CH{sub 2}OH){sub 2}] (X = (CH{sub 2}){sub 3} or C{sub 6}H{sub 4}). X-ray crystal structure of [Pd(HOH{sub 2}C){sub 2}P(CH{sub 2}){sub 2}S(CH{sub 2}){sub 3}S(CH{sub 2}){sub 2}P(CH{sub 2}OH){sub 2}](Cl){sub 2}

    SciTech Connect

    Smith, C.J.; Reddy, V.S.; Karra, S.R.

    1997-04-23

    The thioether-functionalized, water-soluble, bis(phosphines) (HOH{sub 2}C){sub 2}PCH{sub 2}CH{sub 2}S(CH{sub 2}){sub 3}SCH{sub 2}CH{sub 2}P(CH{sub 2}OH){sub 2} (9) and C{sub 6}H{sub 4}(1,2-SCH{sub 2}CH{sub 2}P(CH{sub 2}OH){sub 2}){sub 2}(10) were synthesized in near quantitative yields by the formylation of the appropriate phosphine hydrides in the presence of formaldehyde in ethanol. The reactions of 9 and 10 with Pt(COD)Cl{sub 2} an Pd(C{sub 6}H{sub 5}CN){sub 2}Cl{sub 2} in biphasic media (aqueous/organic) produced the water-soluble Pt(II) and Pd(II) complexes [Pt(HOH{sub 2}C){sub 2}P(CH{sub 2}){sub 2}S(CH{sub 2}){sub 3}S(CH{sub 2}){sub 2}P(CH{sub 2}OH){sub 2}](Cl){sub 2} (11), [Pd(HOH{sub 2}C){sub 2}P(CH{sub 2}){sub 2}S(CH{sub 2}){sub 3}S(CH{sub 2}){sub 2{minus}}P(CH{sub 2}OH){sub 2}](Cl){sub 2} (12), [Pt((C{sub 6}H{sub 4})(1,2-S(CH{sub 2}){sub 2}P(CH{sub 2}OH){sub 2}){sub 2})](Cl){sub 2} (13), and [Pd((C{sub 6}H{sub 4})(1,2-S(CH{sub 2}){sub 2}P(CH{sub 2}OH){sub 2}){sub 2})](Cl){sub 2} (14) in near quantitative yields. The X-ray crystal structure of 12 confirms a square-planar Pd(II) structure for this new generation of water-soluble transition metal complexes. All of the complexes were characterized by MS, H, C, and P NMR spectroscopy. X-ray data for 12: triclinic, P1, a = 9.9761(6) {angstrom}, b = 10.2049(7) {angstrom}, c = 11.6954(7) {angstrom}, a = 67.730(10){degrees}, {beta} = 69.943(10){degrees}, {gamma} = 79.828(10){degrees}, Z = 2, R = 0.0307 (R{sub w} = 0.0797).

  10. Preliminary Notice of Violation, CH2M-Washington Group Idaho...

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    M-Washington Group Idaho, LLC - EA-2007-03 Preliminary Notice of Violation, CH2M-Washington Group Idaho, LLC - EA-2007-03 June 14, 2007 Issued to CH2M-Washington Group Idaho, LLC,...

  11. Hydrogen Storage in Carbon Nanotubes Through Formation of C-H...

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    Hydrogen Storage in Carbon Nanotubes Through Formation of C-H Bonds Hydrogen Storage in Carbon Nanotubes Through Formation of C-H Bonds Print Wednesday, 28 June 2006 00:00 Two of ...

  12. Selectivity of Chemisorbed Oxygen in C-H Bond Activation and...

    Office of Scientific and Technical Information (OSTI)

    Selectivity of Chemisorbed Oxygen in C-H Bond Activation and CO Oxidation and Kinetic ... Title: Selectivity of Chemisorbed Oxygen in C-H Bond Activation and CO Oxidation and ...

  13. Letter from DOE to URS | CH2M Oak Ridge LLC on Award Fee Determination...

    Office of Environmental Management (EM)

    DOE to URS | CH2M Oak Ridge LLC on Award Fee Determination for April to September 2015 Letter from DOE to URS | CH2M Oak Ridge LLC on Award Fee Determination for April to September ...

  14. DOE Selects CH2M Hill Plateau Remediation Company for Plateau...

    Office of Environmental Management (EM)

    CH2M Hill Plateau Remediation Company for Plateau Remediation Contract at its Hanford Site DOE Selects CH2M Hill Plateau Remediation Company for Plateau Remediation Contract at its ...

  15. Enforcement Letter, CH2M Hill Hanford Group, Inc - July 8, 2005...

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    Inc - July 8, 2005 Enforcement Letter, CH2M Hill Hanford Group, Inc - July 8, 2005 July 8, 2005 Issued to CH2M Hill Hanford Group, Inc., related to Neutron Exposure at the Hanford...

  16. Hydrogen for X-group exchange in CH3X, X = Cl, Br, I, OMe and...

    Office of Scientific and Technical Information (OSTI)

    Hydrogen for X-group exchange in CH3X, X Cl, Br, I, OMe and NMe2 byMonomeric ... Citation Details In-Document Search Title: Hydrogen for X-group exchange in CH3X, X Cl, ...

  17. Preliminary Notice of Violation, CH2M Hill Hanford Group, Inc...

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    Preliminary Notice of Violation, CH2M Hill Hanford Group, Inc. - EA-2006-06 November 16, 2006 Issued to CH2M Hill Hanford Group, Inc., related to Radiological Contamination Events ...

  18. Structural features of bicomponent dust Coulomb balls formed by the superposition of fields of different origin in plasma

    SciTech Connect

    Psakhie, S. G.; Zolnikov, K. P.; Kryzhevich, D. S.; Abdrashitov, A. V.

    2008-05-15

    A binary mixture of dust particles in plasma which are in an external electrostatic harmonic confining field as well as in the field consisting of gravitational, thermophoretic, and electrostatic force is simulated. The interparticle interaction is described by the Yukawa isotropic pair potential. The structural properties of the binary mixture of particles depending on composition are investigated. The segregation features of a system of particles of two species under the conditions of recent experiments on Coulomb ball formation are studied. It is shown that particles form a shell structure in which every shell contains only its own species of particles; in so doing, smaller-sized particles make up outer shells with respect to larger-sized particles. When the size difference between the particles becomes more and more pronounced, they are spatially separated up to the formation of two independent Coulomb balls.

  19. Preliminary Notice of Violation, CH2M Hill Hanford Group, Inc.- EA-2003-06

    Energy.gov [DOE]

    Issued to CH2M Hill Hanford Group, Inc., related to Quality Assurance Issues at the Hanford Site Tank Farms

  20. Independent Activity Report, CH2M Hill Plateau Remediation Company- January 2011

    Energy.gov [DOE]

    Review of the CH2M Hill Plateau Remediation Company Unreviewed Safety Question Procedure [ARPT-RL-2011-003

  1. Enforcement Letter, CH2M Hill Hanford Group, Inc.- April 24, 2001

    Energy.gov [DOE]

    Issued to CH2M Hill Hanford Group, Inc., related to Nuclear Safety Management at the Hanford Site Tank Farms

  2. Preliminary Notice of Violation, CH2M Hill Hanford Group, Inc- EA-2005-01

    Energy.gov [DOE]

    Issued to CH2M Hill Hanford Group, Inc., related to Radiological and Operational Events at the Hanford Tank Farms

  3. Enforcement Letter, CH2M Hill Hanford Group Inc,- September 6, 2007

    Energy.gov [DOE]

    Issued to CH2M Hill Hanford Group, Inc., related to Quality Improvement Deficiencies at the Hanford Tank Farms

  4. Precise characterizations of admissible rate of decrease of a non-trivial function with zero ball means

    SciTech Connect

    Ochakovskaya, O A

    2008-02-28

    Precise characterizations of an admissible rate of decrease of a non-trivial function having zero integrals over all balls of fixed radius are established. The case of an essentially anisotropic behaviour of the function at infinity is considered for the first time. In particular, the function is even allowed to grow exponentially in one variable, which is compensated in a certain sense by its rapid decrease in other variables. Bibliography: 17 titles.

  5. Oxygenated Interface on Biomass Burn Tar Balls Determined bySingle Particle Scanning Transmission X-ray Microscopy

    SciTech Connect

    Tivanski, A.V.; Hopkins, R.J.; Tyliszczak, T.; Gilles, M.K.

    2007-06-21

    Carbonaceous particles originating from biomass burning canaccount for a large fraction of organic aerosols in a local environment.Presently, their composition, physical and chemical properties, as wellas their environmental effects are largely unknown. Tar balls, a distincttype of highly spherical carbonaceous biomass burn particles, have beenobserved in a number of field campaigns. The Yosemite AerosolCharacterization Study that took place in summer 2002 occurred during anactive fire season in the western United States; tar balls collectedduring this field campaign are described in this article. Scanningtransmission X-ray microscopy and near-edge X-ray absorption finestructure spectroscopy are used to determine the shape, structure, andsize-dependent chemical composition of ~;150 individual sphericalparticles ranging in size from 0.15 to 1.2mu m.The elemental compositionof tar balls is ~;55 percent atomic carbon and ~;45 percent atomicoxygen. Oxygen is present primarily as carboxylic carbonyls andoxygen-substituted alkyl (O-alkyl-C) functional groups, followed bymoderate amounts of ketonic carbonyls. The observed chemical composition,density, and carbon functional groups are distinctly different from sootor black carbon and more closely resemble high molecular weight polymerichumic-like substances, which could account for their reported opticalproperties. A detailed examination of the carboxylic carbonyl andO-alkyl-C functional groups as a function of particle size reveals a thinoxygenated interface layer. The high oxygen content, as well as thepresence of water-soluble carboxylic carbonyl groups, could account forthe reported hygroscopic properties of tar balls. The presence of theoxygenated layer is attributed to atmospheric processing of biomass burnparticles.

  6. Experimental study of residence time distributions of ball-mill circuits grinding coal-water mixtures

    SciTech Connect

    Shoji, K.; Takahashi, Y.; Ohtake, A.; Austin, L.G.

    2008-08-15

    Residence time distributions (RTDs) were estimated by water tracing in a number of wet overflow ball mills (diameters 0.38 to 4.65 m) producing dense, coal-water slurries. In open-circuit mills of 0.38 m diameter and various length-diameter (LID) ratios, the mean residence times of solid were also determined from measured mill holdups. Holdup increased with increased mill feed rate, but the mean residence times of coal and water were still equal to each other. The experimental residence time distributions were fitted to the Mori-Jimbo-Yamazaki semi-infinite, axial mixing model, and the dimensionless mixing coefficient was determined for each of 25 tests in single- and two-compartment mills. This coefficient was found to be independent to the feed rate but linearly proportional to the D/L ratio. The mixing coefficient was smaller for two-compartment mills than for single-compartment mills, showing that there was reduced mixing introduced by the diaphragm separating the compartments. Equations are given to scale residence time distributions for changes in mill diameter and length.

  7. Temperature modeling for analysis and design of the sintering furnance in HTR fuel type of ball

    SciTech Connect

    Saragi, Elfrida; Setiadji, Moch

    2013-09-09

    One of the factors that determine the safety of the operation of the sintering furnace fuel HTR ball is the temperature distribution in the ceramic tube furnace. The temperature distribution must be determined at design stage. The tube has a temperature of 1600 C at one end and about 40 C at the other end. The outside of the tube was cooled by air through natural convection. The tube is a furnace ceramic tube which its geometry are 0.08, 0.09 and 0.5 m correspondingly for the inner tube diameter, outer tube diameter and tube length. The temperature distribution of the tube is determined by the natural convection coefficient (NCF), which is difficult to be calculated manually. The determination of NCF includes the Grasshoff, Prandtl, and Nusselt numbers which is a function of the temperature difference between the surrounding air with the ceramic tube. If the temperature vary along the tube, the complexity of the calculations increases. Thus the proposed modeling was performed to determine the temperature distribution along the tube and heat transfer coefficient using a self-developed software which permit the design process easier.

  8. Description of a solder pulse generator for the single step formation of ball grid arrays

    SciTech Connect

    Schmale, D.T.; Frear, D.R.; Yost, F.G.; Essien, M.

    1997-02-01

    The traditional geometry for surface mount devices is the peripheral array where the leads are on the edges of the device. As the technology drives towards high input/output (I/O) count (increasing number of leads) and smaller packages with finer pitch (less distance between peripheral leads), limitations on peripheral surface mount devices arise. The leads on these fine pitch devices are fragile and can be easily bent. It becomes increasingly difficult to deliver solder past to leads spaced as little as 0.012 inch apart. Too much solder mass can result in bridging between leads while too little solder can contribute to the loss of mechanical and electrical continuity. A solution is to shift the leads from the periphery of the device to the area under the device. This scheme is called areal array packaging and is exemplified by the ball grid array (BGA) package. A system has been designed and constructed to deposit an entire array of several hundred uniform solder droplets onto a printed circuit board in a fraction of a second. The solder droplets wet to the interconnect lands on a pc board and forms a basis for later application of a BGA device. The system consists of a piezoelectric solder pulse unit, heater controls, an inert gas chamber and an analog power supply/pulse unit.

  9. Comparison of Recombination Dynamics in CH3NH3PbBr3 and CH3NH3PbI3

    Office of Scientific and Technical Information (OSTI)

    Perovskite Films: Influence of Exciton Binding Energy (Journal Article) | SciTech Connect Comparison of Recombination Dynamics in CH3NH3PbBr3 and CH3NH3PbI3 Perovskite Films: Influence of Exciton Binding Energy Citation Details In-Document Search Title: Comparison of Recombination Dynamics in CH3NH3PbBr3 and CH3NH3PbI3 Perovskite Films: Influence of Exciton Binding Energy Authors: Yang, Ye ; Yang, Mengjin ; Li, Zhen ; Crisp, Ryan ; Zhu, Kai ; Beard, Matthew C. Publication Date: 2015-12-03

  10. Decomposition and vibrational relaxation in CH{sub 3}I and self-reaction of CH{sub 3} radicals.

    SciTech Connect

    Yang, X.; Goldsmith, C. F.; Tranter, R. S.

    2009-07-01

    Vibrational relaxation and dissociation of CH{sub 3}I, 2-20% in krypton, have been investigated behind incident shock waves in a diaphragmless shock tube at 20, 66, 148, and 280 Torr and 630-2200 K by laser schlieren densitometry. The effective collision energy obtained from the vibrational relaxation experiments has a small, positive temperature dependence, {Delta}E{sub down} = 63 x (T/298){sup 0.56} cm{sup -1}. First-order rate coefficients for dissociation of CH{sub 3}I show a strong pressure dependence and are close to the low-pressure limit. Restricted-rotor Gorin model RRKM calculations fit the experimental results very well with {Delta}E{sub down} = 378 x (T/298){sup 0.457} cm{sup -1}. The secondary chemistry of this reaction system is dominated by reactions of methyl radicals and the reaction of the H atom with CH{sub 3}I. The results of the decomposition experiments are very well simulated with a model that incorporates methyl recombination and reactions of methylene. Second-order rate coefficients for ethane dissociation to two methyl radicals were derived from the experiments and yield k = (4.50 {+-} 0.50) x 10{sup 17} exp(-32709/T) cm{sup 3} mol{sup -1} s{sup -1}, in good agreement with previous measurements. Rate coefficients for H + CH{sub 3}I were also obtained and give k = (7.50 {+-} 1.0) x 10{sup 13} exp(-601/T) cm{sup 3} mol{sup -1} s{sup -1}, in reasonable agreement with a previous experimental value.

  11. ChEAS Data: The Chequamegon Ecosystem Atmosphere Study

    DOE Data Explorer

    Davis, Kenneth J. [Penn State

    The Chequamegon Ecosystem-Atmosphere Study (ChEAS) is a multi-organizational research effort studying biosphere/atmosphere interactions within a northern mixed forest in Northern Wisconsin. A primary goal is to understand the processes controlling forest-atmosphere exchange of carbon dioxide and the response of these processes to climate change. Another primary goal is to bridge the gap between canopy-scale flux measurements and the global CO2 flask sampling network. The ChEAS flux towers participate in AmeriFlux, and the region is an EOS-validation site. The WLEF tower is a NOAA-CMDL CO2 sampling site. ChEAS sites are primarily located within or near the Chequamegon-Nicolet National Forest in northern Wisconsin, with one site in the Ottawa National Forest in the upper peninsula of Michigan. Current studies observe forest/atmosphere exchange of carbon dioxide at canopy and regional scales, forest floor respiration, photosynthesis and transpiration at the leaf level and use models to scale to canopy and regional levels. EOS-validation studies quantitatively assess the land cover of the area using remote sensing and conduct extensive ground truthing of new remote sensing data (i.e. ASTER and MODIS). Atmospheric remote sensing work is aimed at understanding atmospheric boundary layer dynamics, the role of entrainment in regulating the carbon dioxide mixing ratio profiles through the lower troposphere, and feedback between boundary layer dynamics and vegetation (especially via the hydrologic cycle). Airborne studies have included include balloon, kite and aircraft observations of the CO2 profile in the troposphere.

  12. Methanogenic Conversion of CO2 Into CH4

    SciTech Connect

    Stevens, S.H., Ferry, J.G., Schoell, M.

    2012-05-06

    This SBIR project evaluated the potential to remediate geologic CO2 sequestration sites into useful methane gas fields by application of methanogenic bacteria. Such methanogens are present in a wide variety of natural environments, converting CO2 into CH4 under natural conditions. We conclude that the process is generally feasible to apply within many of the proposed CO2 storage reservoir settings. However, extensive further basic R&D still is needed to define the precise species, environments, nutrient growth accelerants, and economics of the methanogenic process. Consequently, the study team does not recommend Phase III commercial application of the technology at this early phase.

  13. SAPO-34 Membranes for N-2/CH4 separation: Preparation, characterization, separation performance and economic evaluation

    SciTech Connect

    Li, SG; Zong, ZW; Zhou, SJ; Huang, Y; Song, ZN; Feng, XH; Zhou, RF; Meyer, HS; Yu, M; Carreon, MA

    2015-08-01

    SAPO-34 membranes were synthesized by several routes towards N-2/CH4 separation. Membrane synthesis parameters including water content in the gel, crystallization time, support pore size, and aluminum source were investigated. High performance N-2-selective membranes were obtained on 100-nm-pore alumina tubes by using Al(i-C3H7O)(3) as aluminum source with a crystallization time of 6 h. These membranes separated N-2 from CH, with N-2 permeance as high as 500 GPU with separation selectivity of 8 at 24 degrees C. for a 50/50 N-2/CH4 mixture. Nitrogen and CH, adsorption isotherms were measured on SAPO-34 crystals. The N-2 and CH, heats of adsorption were 11 and 15 kJ/mol, respectively, which lead to a preferential adsorption of CE-H-4 over N-2 in the N-2/CH4 mixture. Despite this, the SAPO-34 membranes were selective for N-2 over CH4 in the mixture because N-2 diffuses much faster than CH4 and differences in diffusivity played a more critical role than the competitive adsorption. Preliminary economic evaluation indicates that the required N-2/CH4 selectivity would be 15 in order to maintain a CH4 loss below 10%. For small nitrogen-contaminated gas wells, our current SAPO-34 membranes have potential to compete with the benchmark technology cryogenic distillation for N-2 rejection. (C) 2015 Elsevier B.V. All rights reserved,

  14. On the amorphization behavior and hydrogenation performance of high-energy ball-milled Mg{sub 2}Ni alloys

    SciTech Connect

    Kou, Hongchao; Hou, Xiaojiang; Zhang, Tiebang, E-mail: tiebangzhang@nwpu.edu.cn; Hu, Rui; Li, Jinshan; Xue, Xiangyi

    2013-06-15

    Amorphous Mg{sub 2}Ni alloy was prepared by high energy ball-milling starting with polycrystalline Mg{sub 2}Ni which was prepared with the help of a metallurgy method by using a SPEX 8000D mill. The microstructural and phase structure characterization of the prepared materials was performed via scanning electron microscopy, transition electron microscope and X-ray diffraction. The thermal stabilities were investigated by differential scanning calorimetry. The apparent activation energies were determined by means of the Kissinger method. The first and second crystallization reactions take place at ? 255 C and ? 410 C, and the corresponding activation energy of crystallization is E{sub a1} = 276.9 and E{sub a2} = 382.4 kJ/mol, respectively. At 3 MPa hydrogen pressure and 250 C, the hydrogen absorption capacities of crystalline, partially and fully amorphous Mg{sub 2}Ni alloy are 2.0 wt.%, 3.2 wt.% and 3.5 wt.% within 30 min, respectively. - Graphical Abstract: We mainly focus on the amorphization behavior of crystalline Mg{sub 2}Ni alloy in the high energy ball-milling process and the crystallization behavior of the amorphous Mg{sub 2}Ni alloy in a follow-up heating process. The relationship of milling, microstructure and hydrogenation properties is established and explained by models. - Highlights: Amorphous Mg{sub 2}Ni has been obtained by high energy ball milling the as-cast alloy. The amorphization behavior of polycrystalline Mg{sub 2}Ni is presented. The crystallization behavior of the amorphous Mg{sub 2}Ni alloy is illustrated. Establish the relationship of milling, microstructure and hydrogenation properties.

  15. Test Plan: WIPP bin-scale CH TRU waste tests

    SciTech Connect

    Molecke, M.A.

    1990-08-01

    This WIPP Bin-Scale CH TRU Waste Test program described herein will provide relevant composition and kinetic rate data on gas generation and consumption resulting from TRU waste degradation, as impacted by synergistic interactions due to multiple degradation modes, waste form preparation, long-term repository environmental effects, engineered barrier materials, and, possibly, engineered modifications to be developed. Similar data on waste-brine leachate compositions and potentially hazardous volatile organic compounds released by the wastes will also be provided. The quantitative data output from these tests and associated technical expertise are required by the WIPP Performance Assessment (PA) program studies, and for the scientific benefit of the overall WIPP project. This Test Plan describes the necessary scientific and technical aspects, justifications, and rational for successfully initiating and conducting the WIPP Bin-Scale CH TRU Waste Test program. This Test Plan is the controlling scientific design definition and overall requirements document for this WIPP in situ test, as defined by Sandia National Laboratories (SNL), scientific advisor to the US Department of Energy, WIPP Project Office (DOE/WPO). 55 refs., 16 figs., 19 tabs.

  16. Ceramic bearing development. Volume 3. Development of a thermal proof test for silicon nitride balls. Interim report, 1 August 1992-1 October 1994

    SciTech Connect

    Chuck, L.; Hallinan, K.; Burk, C.

    1995-03-01

    The Major objective of the Development of a Thermal Proof Test for Silicon Nitride Balls was to improve hybrid bearing reliability by the elimination of critical size flaws that cause early failures. The two main tasks in this effort were the demonstration of a thermal proof test method, and the fatigue life testing of thermal proof tested balls. A thermal proof test based on fracture mechanics was developed. A Weibull Relationship was observed between thermal quench temperature deltaT, and the probability of crack extension. Three hundred 7/16 in. NBD-200 balls were thermal proof tested and optically inspected. 224 of these, judged `acceptable`, were tested in hybrid bearings, at 2.9 Mpa (420 KSI) contract stress. Post-mortem analysis of failures in the hybrid bearing tests indicated that proof testing may have promoted failures in balls that, although flawed, may have otherwise performed satisfactorily. Thermal proof testing may be more useful as a sample inspection for lot qualification and process improvement studies, rather than for inspection of balls to be used in critical applications.

  17. Amorphization and crystallization processes of the ball-milled Al-Y-Fe-TM alloys (TM=Ni, Co, Cu, and Fe) (Prop. 2003-037)

    SciTech Connect

    Wilson, Timothy W.; Choo, Hahn; Porter, Wallace D; Speakman, Scott A; Fan, Chang; Liaw, Peter K

    2006-01-01

    High-energy ball milling was used to synthesize aluminum-based alloys containing amorphous and nanocrystalline phases to investigate the compositional effects of transition metals (TM) on the amorphization and crystallization processes of the ball-milled Al{sub 85}Y{sub 7}Fe{sub 5}TM{sub 3} alloys (TM = Ni, Co, Cu, and Fe) were investigated. The crystallization kinetics of the ball-milled Al-Y-Fe-TM nanocomposite powders were studied using differential scanning calorimetry (DSC). The DSC results of Al{sub 83}Y{sub 7}Fe{sub 5}Ni{sub 5} show that the crystallization temperature and the activation energy of crystallization are 668 K and 310 kJ/mol, respectively. In-situ high-temperature X-ray diffraction showed that the crystallization was a complex process involving growth of the nanocrystalline phase along with crystallization of the amorphous matrix phase.

  18. Voluntary Protection Program Onsite Review, CH2M WG LLC, Idaho Cleanup Project March 2014

    Energy.gov [DOE]

    Evaluation to determine whether CH2M WG LLC, Idaho Cleanup Project is performing at a level deserving DOE-VPP Star recognition.

  19. Enforcement Letter, CH2M Hill Mound, Inc- December 22, 2004

    Energy.gov [DOE]

    Issued to CH2M Hill Mound, Inc. related to a Radioactive Contamination Event during Remediation Activities at the Miamisburg Closure Project

  20. Preliminary Notice of Violation, CH2M HILL Hanford Group, Inc.- NEA-2008-02

    Energy.gov [DOE]

    Issued to CH2M Hill Hanford Group, Inc., related to a Radioactive Waste Spill at the Hanford Site Tank Farms

  1. Consent Order, CH2M-WG Idaho, LLC - WCO-2011-01 | Department of Energy

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    CH2M-WG Idaho, LLC - WCO-2011-01 Consent Order, CH2M-WG Idaho, LLC - WCO-2011-01 October 6, 2011 Issued to CH2M-WG Idaho, LLC related to a Hoisting Incident that occurred at the Sodium Bearing Waste Treatment Project at the Idaho National Laboratory On October 6, 2011, the U.S. Department of Energy (DOE) Office of Health Safety and Security's Office of Enforcement and Oversight issued a Consent Order to CH2M-WG Idaho, LLC (CWI) for deficiencies in CWI's oversight of its construction

  2. DOE Cites CH2M Hill Hanford for Violating Nuclear Safety Rules | Department

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    of Energy for Violating Nuclear Safety Rules DOE Cites CH2M Hill Hanford for Violating Nuclear Safety Rules March 10, 2005 - 10:44am Addthis Hanford Tank Farm Contractor Faces Fine of more than $300,000 WASHINGTON, DC - The Department of Energy (DOE) today notified the CH2M Hill Hanford Group, Inc. (CH2M Hill) - that it will fine the company $316,250 for violations of the department's nuclear safety requirements. CH2M Hill is the department's contractor responsible for storage of highly

  3. Voluntary Protection Program Onsite Review, CH2M HILL Analytical Technical Services- January 2008

    Office of Energy Efficiency and Renewable Energy (EERE)

    Evaluation to determine whether CH2M HILL Analytical Technical Services is continuing to perform at a level deserving DOE-VPP Star recognition.

  4. Consent Order, CH2M Hill Hanford Group, Inc.- EA-2000-09

    Energy.gov [DOE]

    Issued to CH2M Hill Hanford Group, Inc., related to Quality Problems at the Hanford Site Tank Farms, (EA-2000-09)

  5. ChIP-seq Identification of Weakly Conserved Heart Enhancers

    SciTech Connect

    Blow, Matthew J.; McCulley, David J.; Li, Zirong; Zhang, Tao; Akiyama, Jennifer A.; Holt, Amy; Plajzer-Frick, Ingrid; Shoukry, Malak; Wright, Crystal; Chen, Feng; Afzal, Veena; Bristow, James; Ren, Bing; Black, Brian L.; Rubin, Edward M.; Visel, Axel; Pennacchio, Len A.

    2010-07-01

    Accurate control of tissue-specific gene expression plays a pivotal role in heart development, but few cardiac transcriptional enhancers have thus far been identified. Extreme non-coding sequence conservation successfully predicts enhancers active in many tissues, but fails to identify substantial numbers of heart enhancers. Here we used ChIP-seq with the enhancer-associated protein p300 from mouse embryonic day 11.5 heart tissue to identify over three thousand candidate heart enhancers genome-wide. Compared to other tissues studied at this time-point, most candidate heart enhancers are less deeply conserved in vertebrate evolution. Nevertheless, the testing of 130 candidate regions in a transgenic mouse assay revealed that most of them reproducibly function as enhancers active in the heart, irrespective of their degree of evolutionary constraint. These results provide evidence for a large population of poorly conserved heart enhancers and suggest that the evolutionary constraint of embryonic enhancers can vary depending on tissue type.

  6. Intermolecular interactions involving C-H bonds, 3, Structure and energetics of the interaction between CH{sub 4} and CN{sup {minus}}

    SciTech Connect

    Novoa, J.J.; Whangbo, Myung-Hwan; Williams, J.M.

    1991-12-31

    On the basis of SCF and single reference MP2 calculations, the full potential energy surface of the interaction between CH{sub 4} and CN{sup {minus}} was studied using extended basis sets of up to near Hartree-Fock limit quality. Colinear arrangements C-N{sup {minus}}{hor_ellipsis}H-CH{sub 3} and N-C{sup {minus}}{hor_ellipsis}H-CH{sub 3} are found to be the only two energy minima. The binding energies of these two structures are calculated to be 2.5 and 2.1 kcal/mol, respectively, at the MP2 level. The full vibrational analyses of two structures show a red shift of about 30 cm{sup {minus}1} for the v{sub s} C-H stretching.

  7. Method of preparing (CH.sub.3).sub.3 SiNSO and byproducts thereof

    DOEpatents

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

    1984-01-01

    (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.

  8. Photolysis of CH{sub 3}CHO at 248 nm: Evidence of triple fragmentation from primary quantum yield of CH{sub 3} and HCO radicals and H atoms

    SciTech Connect

    Morajkar, Pranay; Schoemaecker, Coralie; Fittschen, Christa; Bossolasco, Adriana

    2014-06-07

    Radical quantum yields have been measured following the 248 nm photolysis of acetaldehyde, CH{sub 3}CHO. HCO radical and H atom yields have been quantified by time resolved continuous wave Cavity Ring Down Spectroscopy in the near infrared following their conversion to HO{sub 2} radicals by reaction with O{sub 2}. The CH{sub 3} radical yield has been determined using the same technique following their conversion into CH{sub 3}O{sub 2}. Absolute yields have been deduced for HCO radicals and H atoms through fitting of time resolved HO{sub 2} profiles, obtained under various O{sub 2} concentrations, to a complex model, while the CH{sub 3} yield has been determined relative to the CH{sub 3} yield from 248 nm photolysis of CH{sub 3}I. Time resolved HO{sub 2} profiles under very low O{sub 2} concentrations suggest that another unknown HO{sub 2} forming reaction path exists in this reaction system besides the conversion of HCO radicals and H atoms by reaction with O{sub 2}. HO{sub 2} profiles can be well reproduced under a large range of experimental conditions with the following quantum yields: CH{sub 3}CHO?+?h?{sub 248nm} ? CH{sub 3}CHO{sup *}, CH{sub 3}CHO{sup *} ? CH{sub 3}?+?HCO??{sub 1a} = 0.125??0.03, CH{sub 3}CHO{sup *} ? CH{sub 3}?+?H?+?CO??{sub 1e} = 0.205??0.04, CH{sub 3}CHO{sup *}?{sup o{sub 2}}CH{sub 3}CO?+?HO{sub 2}??{sub 1f} = 0.07??0.01. The CH{sub 3}O{sub 2} quantum yield has been determined in separate experiments as ?{sub CH{sub 3}} = 0.33 0.03 and is in excellent agreement with the CH{sub 3} yields derived from the HO{sub 2} measurements considering that the triple fragmentation (R1e) is an important reaction path in the 248 nm photolysis of CH{sub 3}CHO. From arithmetic considerations taking into account the HO{sub 2} and CH{sub 3} measurements we deduce a remaining quantum yield for the molecular pathway: CH{sub 3}CHO{sup *} ? CH{sub 4}?+?CO??{sub 1b} = 0.6. All experiments can be consistently explained with absence of the formerly considered

  9. Dielectric and photocatalytic properties of sulfur doped TiO{sub 2} nanoparticles prepared by ball milling

    SciTech Connect

    Jalalah, Mohammed; Faisal, M.; Bouzid, Houcine; Ismail, Adel A.; Al-Sayari, Saleh A.

    2013-09-01

    Graphical abstract: - Highlights: Designing of visible light responsive photocatalyst utilizing ball milling. Sulphur used as dopant in commercial TiO{sub 2} P25 at different atomic percentage. S doping resulted in an intense increase in absorption in the visible light region. Newly design photocatalyst exhibited excellent photocatalytic performance. 0.11 at.% S-doped TiO{sub 2} shows 3-times higher activity than that of TiO{sub 2} P25. - Abstract: Sulfur (S) doped commercial TiO{sub 2} P-25 has been achieved by changing the amount of thiourea using ball milling technique. The results of XRD clearly reveal biphasial anatase and rutile mixtures for all prepared samples and doping of S does not change the morphology of the TiO{sub 2}. The optical absorption edge of S-doped TiO{sub 2} was red shifted with indirect bandgap energy of 2.8 eV. The dielectric studies confirm that the dielectric constant of TiO{sub 2} increases after doping, however it becomes more conductive. Newly designed S-doped TiO{sub 2} photocatalysts exhibited excellent photocatalytic performance for the degradation of methylene blue (MB) under visible light. The overall photocatalytic activity of 0.11 at.% S-doped TiO{sub 2} was significantly 3-times higher than that of commercial TiO{sub 2} P-25 and complete degradation of MB has taken place after 90 min of irradiation under visible light while only 35% dye degraded when the reaction has been carried out in the presence of undoped TiO{sub 2}.

  10. Independent Oversight Review, Richland Operations Office and CH2M Hill Plateau Remediation Company and Mission Support Alliance- April 2012

    Energy.gov [DOE]

    Review of Richland Operations Office and CH2M Hill Plateau Remediation Company and Mission Support Alliance Conduct of Operations

  11. Contract No. DE-AC02-07CH11358 Contract Modification No. 0200

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    Attachment J.5, Appendix E J-E-1 ATTACHMENT J.5 APPENDIX E AMES LABORATORY DEPARMENT OF ENERGY (LESSEE) INGRANTS Applicable to the Operation of AMES Laboratory Contract No. DE-AC02-07CH11358 Contract No. DE-AC02-07CH11358 Contract Modification No. 0200 Section J.5, Appendix E CONTRACT NO. BUILDING NAME(s) LESSOR CITY STATE PURPOSE COST EFFECT DATE EXP DATE ACRE DE-RL02-76CH00144* (formerly AT(11-1) 1309) Land Lease Construction Storage Shed Mechanical Maintenance Campus Warehouse Maintenance

  12. DOE Selects CH2M Hill Plateau Remediation Company for Plateau Remediation

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    Contract at its Hanford Site | Department of Energy CH2M Hill Plateau Remediation Company for Plateau Remediation Contract at its Hanford Site DOE Selects CH2M Hill Plateau Remediation Company for Plateau Remediation Contract at its Hanford Site June 19, 2008 - 1:29pm Addthis WASHINGTON, DC - The U.S. Department of Energy (DOE) today announced that CH2M Hill Plateau Remediation Company has been selected as the plateau remediation contractor for DOE's Hanford Site in southeastern Washington

  13. Microsoft PowerPoint - New Materials for CH4 Capture-slide_AM [Read-Only]

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    We have discovered a handful of zeolite structures that have sufficient methane (CH 4 ) adsorption capacity as well as appropriate CH 4 /CO 2 and CH 4 /N 2 selectivity to be technologically promising for methane capture from dilute and medium-concentration sources. J Kim, A Maiti, L-C Lin, J Stolaroff, B Smit, R Aines, Nat. Commun. (2013). Doi: 10.1038/ncomms2697 New Materials for Methane Capture from Dilute and Medium-concentration Sources Significance and Impact Methane is an important

  14. Voluntary Protection Program Onsite Review, URS | CH2M Oak Ridge LLC -

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    April 2015 | Department of Energy URS | CH2M Oak Ridge LLC - April 2015 Voluntary Protection Program Onsite Review, URS | CH2M Oak Ridge LLC - April 2015 April 2015 UCOR is admitted to the Department of Energy Voluntary Protection Program as a Star Participant. This report summarizes the results from the evaluation of URS | CH2M OAK RIDGE LLC (UCOR) in Oak Ridge, Tennessee during the period of April 14-23 2015, and provides the Associate Under Secretary for AU with the necessary information

  15. ChIMES: "Limited only by our imaginations" | Y-12 National Security

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    Complex ChIMES: "Limited only by ... ChIMES: "Limited only by our imaginations" Posted: March 26, 2015 - 4:18pm The ChIMES team's investigators each brought unique expertise to the project. A three-year collaboration of scientists from Y-12 National Security Complex and The University of Tennessee, Knoxville, resulted in the innovation of a patented chemical sensor that is unique in several aspects: it's inexpensive, tiny and portable; it promises virtually limitless

  16. Electronic structure, transport, and phonons of SrAgChF (Ch = S,Se,Te): Bulk superlattice thermoelectrics

    SciTech Connect

    Gudelli, Vijay Kumar; Kanchana, V.; Vaitheeswaran, G.; Singh, David J.; Svane, Axel; Christensen, Niels Egede; Mahanti, Subhendra D.

    2015-07-15

    Here, we report calculations of the electronic structure, vibrational properties, and transport for the p-type semiconductors, SrAgChF (Ch = S, Se, and Te). We find soft phonons with low frequency optical branches intersecting the acoustic modes below 50 cm–1, indicative of a material with low thermal conductivity. The bands at and near the valence-band maxima are highly two-dimensional, which leads to high thermopowers even at high carrier concentrations, which is a combination that suggests good thermoelectric performance. These materials may be regarded as bulk realizations of superlattice thermoelectrics.

  17. Contract DE-AC02-07CH11358 Modifications Language Changes

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    AC02-07CH11358 Modifications Language Changes Modification 183 October 23, 2015 Part I, Section H - Special Contract Requirements (replace Mod 171) Part II, Section I - Contract...

  18. Fundamental Understanding of Methane-Carbon Dioxide-Water (CH4...

    Office of Scientific and Technical Information (OSTI)

    Fundamental Understanding of Methane-Carbon Dioxide-Water (CH4-CO2-H2O) Interactions in Shale Nanopores under Reservoir Conditions. Citation Details In-Document Search Title:...

  19. Enforcement Letter, CH2M-Washington Group Idaho LLC , - May 20...

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    , - May 20, 2009 May 20, 2009 Issued to CH2M-Washington Group Idaho, LLC, for Electrical Safety Deficiencies at the Idaho National Laboratory On May 20, 2009, the U.S. Department...

  20. Voluntary Protection Program Onsite Review, CH2M HILL B&W West...

    Office of Environmental Management (EM)

    B&W West Valley LLC, West Valley Demonstration Project - October 2013 Voluntary Protection Program Onsite Review, CH2M HILL B&W West Valley LLC, West Valley Demonstration Project - ...

  1. Hindering effects in diffusion of CO2/CH4 mixtures in ZIF-8 crystals...

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    Hindering effects in diffusion of CO2CH4 mixtures in ZIF-8 crystals Previous Next List C. Chmelik, J. van Baten, and R. Krishna, J. Membr. Sci. 397, 87 (2012) DOI: 10.1016...

  2. Park, Y.J.; Hofmayer, C.H. [Brookhaven National Lab., Upton,...

    Office of Scientific and Technical Information (OSTI)

    Understanding seismic design criteria for Japanese nuclear power plants Park, Y.J.; Hofmayer, C.H. Brookhaven National Lab., Upton, NY (United States); Costello, J.F. US Nuclear...

  3. Quantitative Visualization of ChIP-chip Data by Using Linked...

    Office of Scientific and Technical Information (OSTI)

    Most analyses of ChIP-chip in vivo DNA binding have focused on qualitative descriptions of ... analyze and explore in vivo DNA binding data of multiple transcription factors. ...

  4. Direct Dynamics Simulation of Dissociation of the [CH3--I--OH...

    Office of Scientific and Technical Information (OSTI)

    Ion-Molecule Complex Citation Details In-Document Search Title: Direct Dynamics Simulation of Dissociation of the CH3--I--OH- Ion-Molecule Complex Direct dynamics ...

  5. Fundamental Understanding of Methane-Carbon Dioxide-Water (CH4...

    Office of Scientific and Technical Information (OSTI)

    Fundamental Understanding of Methane-Carbon Dioxide-Water (CH4-CO2- H20) Interactions in Shale Nanopores under ReservoirSAND2o 1T-20" if4pe Yifeng Wang, Yongliang Xiong & Louise ...

  6. Fundamental Understanding of Methane-Carbon Dioxide-Water (CH4...

    Office of Scientific and Technical Information (OSTI)

    ...Water (CH4-CO2-H2O) Interactions in Shale Nanopores under Reservoir Conditions. Citation Details In-Document Search Title: Fundamental Understanding of Methane-Carbon Dioxide-Water ...

  7. Preliminary Notice of Violation, CH2M-Washington Group Idaho, LLC- EA-2007-03

    Energy.gov [DOE]

    Issued to CH2M-Washington Group Idaho, LLC, related to Radiation Protection Program Deficiencies at the Radioactive Waste Management Complex - Accelerated Retrieval Project at the Idaho National Laboratory

  8. Cp* Iridium Precatalysts for Selective C-H Oxidation via Direct...

    Office of Scientific and Technical Information (OSTI)

    The nature of the active species was investigated by TEM, UV-vis, microfiltration, and control experiments. DFT calculations showed that the C-H oxidation of cis-decalin by ...

  9. Molecular Simulation Studies of Separation of CO2/N2, CO2/CH4...

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    do this, we first identified a suitable force field for describing CO2, N2, and CH4 adsorption in ZIFs. On the basis of the validated force field, adsorption selectivities of the...

  10. Microsoft Word - Ce-CH3X ms-revised.doc

    Office of Scientific and Technical Information (OSTI)

    1 Hydrogen for X-group exchange in CH 3 X, X Cl, Br, I, OMe and NMe 2 by ... in a 1 H NMR spectrum in which a single hydrogen atom is statistically distributed into ...

  11. DOE Cites CH2M Hill Hanford Group for Price-Anderson Violations

    Energy.gov [DOE]

    WASHINGTON, DC - The Department of Energy (DOE) today notified CH2M Hill Hanford Group (CHG) that it will fine the company $82,500 for violations of the Department's nuclear safety requirements. ...

  12. DOE Cites CH2M Hill Hanford Group, Inc. for Price-Anderson Violations

    Energy.gov [DOE]

    WASHINGTON, DC - The Department of Energy (DOE) today issued a Preliminary Notice of Violation (PNOV) to CH2M Hill Hanford Group, Inc. (CHG) for nuclear safety violations.  CHG is the tank...

  13. Spectroscopic characterization of rovibrational temperatures in atmospheric pressure He/CH{sub 4} plasmas

    SciTech Connect

    Moon, Se Youn; Kim, D. B.; Gweon, B.; Choe, W.

    2008-10-15

    Atmospheric pressure of helium (He) and methane (CH{sub 4}) mixture discharge characteristics are investigated using emission spectroscopic methods. Plasmas are produced in a radio frequency capacitively coupled device at atmospheric pressure in the ambient air. Without the CH{sub 4} gas introduced in the plasma, the emission spectrum exhibits typical helium discharge characteristics showing helium atomic lines with nitrogen molecular bands and oxygen atomic lines resulting from air impurities. Addition of a small amount (<1%) of CH{sub 4} to the supplied He results in the emission of CN (B{sup 2}{sigma}{sup +}-X{sup 2}{sigma}{sup +}: violet system) and CH (A{sup 2}{delta}-X{sup 2} product : 430 nm system) molecular bands. Analyzing the CN and CH diatomic molecular emission spectra, the vibrational temperature (T{sub vib}) and rotational temperature (T{sub rot}) are simultaneously obtained. As input power levels are raised from 20 W to 200 W, T{sub vib} and T{sub rot} are increased from 4230 K to 6310 K and from 340 K to 500 K, respectively. On the contrary, increasing the CH{sub 4} amount brings about the decrease of both temperatures because CH{sub 4} is harder to ionize than He. The emission intensities of CN and CH radicals, which are important in plasma processing, are also changed along with the temperature variation. From the results, the atmospheric pressure plasma shows strong nonequilibrium discharge properties, which may be effectively utilized for thermal damage free material treatments.

  14. Effects of metallic nanoparticle doped flux on the interfacial intermetallic compounds between lead-free solder ball and copper substrate

    SciTech Connect

    Sujan, G.K. Haseeb, A.S.M.A. Afifi, A.B.M.

    2014-11-15

    Lead free solders currently in use are prone to develop thick interfacial intermetallic compound layers with rough morphology which are detrimental to the long term solder joint reliability. A novel method has been developed to control the morphology and growth of intermetallic compound layers between lead-free Sn–3.0Ag–0.5Cu solder ball and copper substrate by doping a water soluble flux with metallic nanoparticles. Four types of metallic nanoparticles (nickel, cobalt, molybdenum and titanium) were used to investigate their effects on the wetting behavior and interfacial microstructural evaluations after reflow. Nanoparticles were dispersed manually with a water soluble flux and the resulting nanoparticle doped flux was placed on copper substrate. Lead-free Sn–3.0Ag–0.5Cu solder balls of diameter 0.45 mm were placed on top of the flux and were reflowed at a peak temperature of 240 °C for 45 s. Angle of contact, wetting area and interfacial microstructure were studied by optical microscopy, field emission scanning electron microscopy and energy-dispersive X-ray spectroscopy. It was observed that the angle of contact increased and wetting area decreased with the addition of cobalt, molybdenum and titanium nanoparticles to flux. On the other hand, wettability improved with the addition of nickel nanoparticles. Cross-sectional micrographs revealed that both nickel and cobalt nanoparticle doping transformed the morphology of Cu{sub 6}Sn{sub 5} from a typical scallop type to a planer one and reduced the intermetallic compound thickness under optimum condition. These effects were suggested to be related to in-situ interfacial alloying at the interface during reflow. The minimum amount of nanoparticles required to produce the planer morphology was found to be 0.1 wt.% for both nickel and cobalt. Molybdenum and titanium nanoparticles neither appear to undergo alloying during reflow nor have any influence at the solder/substrate interfacial reaction. Thus, doping

  15. UV absorption spectrum of the C2 Criegee intermediate CH{sub 3}CHOO

    SciTech Connect

    Smith, Mica C.; Ting, Wei-Lun; Chang, Chun-Hung; Takahashi, Kaito; Boering, Kristie A.; Lin, Jim Jr-Min

    2014-08-21

    The UV spectrum of CH{sub 3}CHOO was measured by transient absorption in a flow cell at 295 K. The absolute absorption cross sections of CH{sub 3}CHOO were measured by laser depletion in a molecular beam to be (1.06 ± 0.09) × 10{sup −17} cm{sup 2} molecule{sup −1} at 308 nm and (9.7 ± 0.6) × 10{sup −18} cm{sup 2} molecule{sup −1} at 352 nm. After scaling the UV spectrum of CH{sub 3}CHOO to the absolute cross section at 308 nm, the peak UV cross section is (1.27 ± 0.11) × 10{sup −17} cm{sup 2} molecule{sup −1} at 328 nm. Compared to the simplest Criegee intermediate CH{sub 2}OO, the UV absorption band of CH{sub 3}CHOO is similar in intensity but blue shifted by 14 nm, resulting in a 20% slower photolysis rate estimated for CH{sub 3}CHOO in the atmosphere.

  16. Noncentrosymmetric rare-earth copper gallium chalcogenides RE{sub 3}CuGaCh{sub 7} (RE=La–Nd; Ch=S, Se): An unexpected combination

    SciTech Connect

    Iyer, Abishek K.; Rudyk, Brent W.; Lin, Xinsong; Singh, Harpreet; Sharma, Arzoo Z.; Wiebe, Christopher R.; Mar, Arthur

    2015-09-15

    The quaternary rare-earth chalcogenides RE{sub 3}CuGaS{sub 7} and RE{sub 3}CuGaSe{sub 7} (RE=La–Nd) have been prepared by reactions of the elements at 1050 °C and 900 °C, respectively. They crystallize in the noncentrosymmetric La{sub 3}CuSiS{sub 7}-type structure (hexagonal, space group P6{sub 3}, Z=2) in which the a-parameter is largely controlled by the RE component (a=10.0–10.3 Å for the sulfides and 10.3–10.6 Å for the selenides) whereas the c-parameter is essentially fixed by the choice of Ga and chalcogen atoms within tetrahedral units (c=6.1 Å for the sulfides and 6.4 Å for the selenides). They extend the series RE{sub 3}MGaCh{sub 7}, previously known for divalent metal atoms (M=Mn–Ni), differing in that the Cu atoms in RE{sub 3}CuGaCh{sub 7} occupy trigonal planar sites instead of octahedral sites. Among quaternary chalcogenides RE{sub 3}MM′Ch{sub 7}, the combination of monovalent (M=Cu) and trivalent (M′=Ga) metals is unusual because it appears to violate the condition of charge balance satisfied by most La{sub 3}CuSiS{sub 7}-type compounds. The possibility of divalent Cu atoms was ruled out by bond valence sum analysis, magnetic measurements, and X-ray photoelectron spectroscopy. The electron deficiency in RE{sub 3}CuGaCh{sub 7} is accommodated through S-based holes at the top of the valence band, as shown by band structure calculations on La{sub 3}CuGaS{sub 7}. An optical band gap of about 2.0 eV was found for La{sub 3}CuGaSe{sub 7}. - Graphical abstract: The chalcogenides RE{sub 3}CuGaCh{sub 7} contain monovalent Cu in trigonal planes and trivalent Ga in tetrahedra; they are electron-deficient representatives of La{sub 3}CuSiS{sub 7}-type compounds, which normally satisfy charge balance. - Highlights: • Quaternary chalcogenides RE{sub 3}CuGaCh{sub 7} (RE=La–Nd; Ch=S, Se) were prepared. • Bond valence sums, magnetism, and XPS data give evidence for monovalent Cu. • Crystal structures reveal high anisotropy of Cu displacement.

  17. Melting process of nanometer-sized in particles embedded in an Al matrix synthesized by ball milling

    SciTech Connect

    Sheng, H.W.; Xu, J.; Yu, L.G.; Sun, X.K.; Hu, Z.Q.; Lu, K.

    1996-11-01

    Dispersions of nanometer-sized In particles embedded in an Al matrix (10 wt.{percent} In) have been synthesized by ball milling of a mixture of Al and In powders. The as-milled product was characterized by using x-ray diffraction (XRD), scanning electron microscopy (SEM), energy dispersive x-ray spectrometer (EDX), transmission electron microscopy (TEM), and high resolution transmission electron microscopy (HREM), respectively. It was found that In and Al are pure components immiscible with each other, with nanometer-sized In particles dispersively embedded in the Al matrix. The melting behavior of In particles was investigated by means of differential scanning calorimeter (DSC). The calorimetric measurements indicate that both the melting point and the melting enthalpy of the In nanoparticles decrease with increasing milling time, or refinement of the In particles. Compared to its bulk melting temperature, a melting point depression of 13.4 K was observed when the mean grain size of In is 15 nm, and the melting point depression of In nanoparticles is proportional to the reciprocal of the mean grain size. The melting enthalpy depression was interpreted according to the two-state concept for the nanoparticles. Melting of the interface was deduced to be an exothermal process due to its large excess energy/volume. {copyright} {ital 1996 Materials Research Society.}

  18. Experimental and theoretical rate constants for CH{sub 4} + O{sub 2} {yields} CH{sub 3} + HO{sub 2}

    SciTech Connect

    Srinivasan, N.K.; Michael, J.V.; Harding, L.B.; Klippenstein, S.J.

    2007-04-15

    In this study, rate constants for the primary initiation process in low to moderate temperature CH{sub 4} oxidation CH{sub 4} + O{sub 2} {yields} CH{sub 3} + HO{sub 2} have been measured in a reflected shock tube apparatus between 1655 and 1822 K using multipass absorption spectrometric detection of OH radicals at 308 nm. After rapid dissociation of HO{sub 2} yielding H atoms, which are instantaneously converted to OH by H + O{sub 2} {yields} OH + O, the temporal concentration of OH radicals was observed as the final product from the rate-controlling title reaction. The present work utilizes 18 optical passes corresponding to a total path length of 1.6 m. This configuration gives a signal to noise ratio of unity at {proportional_to}3 x 10{sup 12} radicals cm{sup -3}. Hence, kinetics experiments could be performed at conditions of low [CH{sub 4}]{sub 0} (60-70 ppm), thereby substantially reducing secondary chemistry. Possible implications of CH{sub 4} dissociation contributing to the OH formation rates were considered. The present experimental results agree with a priori variational transition state theoretical (VTST) calculations, k{sub th}=3.37 x 10{sup -19}T{sup 2.745} exp (-26,041K/T)cm{sup 3}molecule{sup -1} s{sup -1}, clearly showing overlap of experiment and theory, within experimental error. The new rate constant values obtained in this study are 8-10 times higher than the values used in the popular mechanisms GRI-Mech 3.0 and Leeds Methane Mechanism, version 1.5. (author)

  19. Ion imaging study of reaction dynamics in the N{sup +}+ CH{sub 4} system

    SciTech Connect

    Pei, Linsen; Farrar, James M.

    2012-10-21

    The velocity map ion imaging method is applied to the ion-molecule reactions of N{sup +} with CH{sub 4}. The velocity space images are collected at collision energies of 0.5 and 1.8 eV, providing both product kinetic energy and angular distributions for the reaction products CH{sub 4}{sup +}, CH{sub 3}{sup +}, and HCNH{sup +}. The charge transfer process is energy resonant and occurs by long-range electron transfer that results in minimal deflection of the products. The formation of the most abundant product, CH{sub 3}{sup +}, proceeds by dissociative charge transfer rather than hydride transfer, as reported in earlier publications. The formation of HCNH{sup +} by C-N bond formation appears to proceed by two different routes. The triplet state intermediates CH{sub 3}NH{sup +} and CH{sub 2}NH{sub 2}{sup +} that are formed as N{sup +}({sup 3}P) approaches CH{sub 4} may undergo sequential loss of two hydrogen atoms to form ground state HCNH{sup +} products on a spin-allowed pathway. However, the kinetic energy distributions for formation of HCNH{sup +} extend past the thermochemical limit to form HCNH{sup +}+ 2H, implying that HCNH{sup +} may also be formed in concert with molecular hydrogen, and requiring that intersystem crossing to the singlet manifold must occur in a significant ({approx}25%) fraction of reactive collisions. We also report GAUSSIAN G2 calculations of the energies and structures of important singlet and triplet [CNH{sub 4}{sup +}] complexes that serve as precursors to product formation.

  20. Photodissociation and photoisomerization dynamics of CH{sub 2}=CHCHO in solution

    SciTech Connect

    Wu Weiqiang; Yang Chunfan; Zhao Hongmei; Liu Kunhui; Su Hongmei

    2010-03-28

    By means of time-resolved Fourier transform infrared absorption spectroscopy, we have investigated the 193 nm photodissociation and photoisomerization dynamics of the prototype molecule of {alpha},{beta}-enones, acrolein (CH{sub 2}=CHCHO) in CH{sub 3}CN solution. The primary photolysis channels and absolute branching ratios are determined. The most probable reaction mechanisms are clarified by control experiments monitoring the product yields varied with the triplet quencher addition. The predominant channel is the 1,3-H migration yielding the rearrangement product CH{sub 3}CH=C=O with a branching ratio of 0.78 and the less important channel is the {alpha} cleavage of C-H bond yielding radical fragments CH{sub 2}=CHCO+H with a branching ratio of only 0.12. The 1,3-H migration is strongly suggested to correlate with the triplet {sup 3}({pi}{pi}{sup *}) state rather than the ground S{sub 0} state and the {alpha} cleavage of C-H bond is more likely to proceed in the singlet S{sub 1} {sup 1}(n{pi}{sup *}) state. From the solution experiments we have not only acquired clues clarifying the previous controversial mechanisms, but also explored different photochemistry in solution. Compared to the gas phase photolysis which is dominated by photodissociation channels, the most important channel in solution is the photoisomerization of 1,3-H migration. The reason leading to the different photochemistry in solution is further ascribed to the solvent cage effect.

  1. Insights into the structure of mixed CO2/CH4 in gas hydrates

    SciTech Connect

    Everett, Susan M; Rawn, Claudia J; Chakoumakos, Bryan C; Keffer, David J.; Huq, Ashfia; Phelps, Tommy Joe

    2015-01-01

    The exchange of CO2 for CH4 in natural gas hydrates is an attractive approach to methane for energy production while simultaneously sequestering CO2. In addition to the energy and environmental implications, the solid solution of clathrate hydrate (CH4)1-x(CO2)x 5.75H2O provides a model system to study how the distinct bonding and shapes of CH4 and CO2 influence the structure and properties of the compound. High-resolution neutron diffraction was used to examine mixed CO2/CH4 gas hydrates. CO2-rich hydrates had smaller lattice parameters, which were attributed to the higher affinity of the CO2 molecule interacting with H2O molecules that form the surrounding cages, and resulted in a reduction in the unit cell volume. Experimental nuclear scattering densities illustrate how the cage occupants and energy landscape change with composition. These results provide important insights on the impact and mechanisms for exchanging CH4 and CO2.

  2. Insights into the structure of mixed CO2/CH4 in gas hydrates

    DOE PAGES [OSTI]

    Everett, S. Michelle; Rawn, Claudia J.; Chakoumakos, Bryan C.; Keffer, David J.; Huq, Ashfia; Phelps, Tommy J.

    2015-05-12

    The exchange of carbon dioxide for methane in natural gas hydrates is an attractive approach to harvesting CH4 for energy production while simultaneously sequestering CO2. In addition to the energy and environmental implications, the solid solution of clathrate hydrate (CH4)1-x(CO2)x·5.75H2O provides a model system to study how the distinct bonding and shapes of CH4 and CO2 influence the structure and properties of the compound. In this paper, high-resolution neutron diffraction was used to examine mixed CO2/CH4 gas hydrates. CO2-rich hydrates had smaller lattice parameters, which were attributed to the higher affinity of the CO2 molecule interacting with H2O molecules thatmore » form the surrounding cages, and resulted in a reduction in the unit-cell volume. Experimental nuclear scattering densities illustrate how the cage occupants and energy landscape change with composition. Finally, these results provide important insights on the impact and mechanisms for the structure of mixed CH4/CO2 gas hydrate.« less

  3. Polymerization of Acetonitrile via a Hydrogen Transfer Reaction from CH3 to CN under Extreme Conditions

    DOE PAGES [OSTI]

    Zheng, Haiyan; Li, Kuo; Cody, George D.; Tulk, Christopher A.; Dong, Xiao; Gao, Guoying; Molaison, Jamie J.; Liu, Zhenxian; Feygenson, Mikhail; Yang, Wenge; et al

    2016-08-25

    Acetonitrile (CH3CN) is the simplest and one of the most stable nitriles. Reactions usually occur on the C≡N triple bond, while the C-H bond is very inert and can only be activated by a very strong base or a metal catalyst. In this study, it is demonstrated that C-H bonds can be activated by the cyano group under high pressure, but at room temperature. The hydrogen atom transfers from the CH3 to CN along the CH···N hydrogen bond, which produces an amino group and initiates polymerization to form a dimer, 1D chain, and 2D nanoribbon with mixed sp2 and sp3more » bonded carbon. Lastly, it transforms into a graphitic polymer by eliminating ammonia. This study shows that applying pressure can induce a distinctive reaction which is guided by the structure of the molecular crystal. It highlights the fact that very inert C-H can be activated by high pressure, even at room temperature and without a catalyst.« less

  4. The states of carbon and nitrogen atoms after photodissociation of CN, CH, CH(+), C2, C3, and CO in comets

    SciTech Connect

    Singh, P.D.; De almeida, A.A.; Huebner, W.F. Southwest Research Institute, San Antonio, TX )

    1991-03-01

    The photodissociation of carbon compounds by solar UV radiation at a heliocentric distance of 1 AU is examined, comparing published observational data with the predictions of theoretical models and results from laboratory experiments. It is shown that species other than CO, including CN, CH, CH(+), C2, and C3, can contribute to the observed brightness of the VUV lines of C I (156.1, 165.7, and 193.1 nm) and C II (133.5 nm) in comet comae. CN photodissociation is also found to produce metastable 2D0 and 2P0 N I atoms, possibly leading (at heliocentric distances less than 0.25 AU) to 143.9-nm emission via resonance fluorescence. 37 refs.

  5. Voluntary Protection Program Onsite Review, CH2M HILL Plateau Remediation Co., Inc., Hanford – Jan 2014

    Energy.gov [DOE]

    Evaluation to determine whether CH2M HILL Plateau Remediation Co., Inc., Hanford is performing at a level deserving DOE-VPP Star recognition.

  6. Investigation on thermal evaporated CH{sub 3}NH{sub 3}PbI{sub 3} thin films

    SciTech Connect

    Li, Youzhen; Xu, Xuemei; Yang, Junliang; Wang, Chenggong; Wang, Congcong; Gao, Yongli; Xie, Fangyan

    2015-09-15

    CH{sub 3}NH{sub 3}I, PbI{sub 2} and CH{sub 3}NH{sub 3}PbI{sub 3} films were fabricated by evaporation and characterized with X-ray Photoelectron Spectroscopy (XPS) and X-ray diffraction (XRD). The XPS results indicate that the PbI{sub 2} and CH{sub 3}NH{sub 3}PbI{sub 3} films are more uniform and stable than the CH{sub 3}NH{sub 3}I film. The atomic ratio of the CH{sub 3}NH{sub 3}I, PbI{sub 2} and CH{sub 3}NH{sub 3}PbI{sub 3} films are C:N:I=1.00:1.01:0.70, Pb:I= 1.00:1.91 and C: N: Pb: I = 1.29:1.07:1.00:2.94, respectively. The atomic ratio of CH{sub 3}NH{sub 3}PbI{sub 3} is very close to that of the ideal perovskite. Small angle x-ray diffraction results demonstrate that the as evaporated CH{sub 3}NH{sub 3}PbI{sub 3} film is crystalline. The valence band maximum (VBM) and work function (WF) of the CH{sub 3}NH{sub 3}PbI{sub 3} film are about 0.85eV and 4.86eV, respectively.

  7. Contract No. DE-AC02-09CH11466 Section J - Appendix F J-F-1

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    52 Contract No. DE-AC02-09CH11466 Section J - Appendix F J-F-1 Attachment J.6 APPENDIX F Contractor Resources, Commitments, and Agreements Contract No. DE-AC02-09CH11466 Modification No. 0152 Contract No. DE-AC02-09CH11466 Section J - Appendix F J-F-2 This page intentionally blank Modification No. 0152 Contract No. DE-AC02-09CH11466 Section J - Appendix F J-F-3 RESOURCES, SERVICES, AND SUPPORT PROVIDED TO PPPL Princeton University has committed substantial resources and services over the first

  8. Contract No.: DE-AC02-07CH11358 Contract Modification No. 0159

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    : DE-AC02-07CH11358 Contract Modification No. 0159 Section J, Appendix C ATTACHMENT J.3 APPENDIX C SPECIAL FINANCIAL INSTITUTION ACCOUNT AGREEMENT Applicable to the Operation of AMES Laboratory Contract No. DE-AC02-07CH11358 AMENDMENT 8 TO SPECIAL FINANCIAL INSTITUTION ACCOUNT Page 1 of 2 AGREEMENT FOR USE WITH THE PAYMENTS CLEARED FINANCING ARRANGEMENT between BANKERS TRUST COMPANY, N.A. (hereinafter referred to as the "Financial Institution"), and IOWA STATE UNIVERSITY of Science and

  9. Observation of CH4 and other Non-CO2 Green House Gas Emissions from California

    SciTech Connect

    Fischer, Marc L.; Zhao, Chuanfeng; Riley, William J.; Andrews, Arlyn C.

    2009-01-09

    In 2006, California passed the landmark assembly bill AB-32 to reduce California's emissions of greenhouse gases (GHGs) that contribute to global climate change. AB-32 commits California to reduce total GHG emissions to 1990 levels by 2020, a reduction of 25 percent from current levels. To verify that GHG emission reductions are actually taking place, it will be necessary to measure emissions. We describe atmospheric inverse model estimates of GHG emissions obtained from the California Greenhouse Gas Emissions Measurement (CALGEM) project. In collaboration with NOAA, we are measuring the dominant long-lived GHGs at two tall-towers in central California. Here, we present estimates of CH{sub 4} emissions obtained by statistical comparison of measured and predicted atmospheric mixing ratios. The predicted mixing ratios are calculated using spatially resolved a priori CH{sub 4} emissions and surface footprints, that provide a proportional relationship between the surface emissions and the mixing ratio signal at tower locations. The footprints are computed using the Weather Research and Forecast (WRF) coupled to the Stochastic Time-Inverted Lagrangian Transport (STILT) model. Integral to the inverse estimates, we perform a quantitative analysis of errors in atmospheric transport and other factors to provide quantitative uncertainties in estimated emissions. Regressions of modeled and measured mixing ratios suggest that total CH{sub 4} emissions are within 25% of the inventory estimates. A Bayesian source sector analysis obtains posterior scaling factors for CH{sub 4} emissions, indicating that emissions from several of the sources (e.g., landfills, natural gas use, petroleum production, crops, and wetlands) are roughly consistent with inventory estimates, but livestock emissions are significantly higher than the inventory. A Bayesian 'region' analysis is used to identify spatial variations in CH{sub 4} emissions from 13 sub-regions within California. Although, only

  10. Cyclic Versus Linear Isomers Produced by Reaction of the Methylidyne Radical (CH) with Small Unsaturated Hydrocarbons

    SciTech Connect

    Goulay, Fabien; Trevitt, Adam J.; Meloni, Giovanni; Selby, Talitha M.; Osborn, David L.; Taatjes, Craig A.; Vereecken, Luc; Leone, Stephen R.

    2008-12-05

    The reactions of the methylidyne radical (CH) with ethylene, acetylene, allene, and methylacetylene are studied at room temperature using tunable vacuum ultraviolet (VUV) photoionization and time-resolved mass spectrometry. The CH radicals are prepared by 248 nm multiphoton photolysis of CHBr3 at 298 K and react with the selected hydrocarbon in a helium gas flow. Analysis of photoionization efficiency versus VUV photon wavelength permits isomer-specific detection of the reaction products and allows estimation of the reaction product branching ratios. The reactions proceed by either CH insertion or addition followed by H atom elimination from the intermediate adduct. In the CH + C2H4 reaction the C3H5 intermediate decays by H atom loss to yield 70(+-8)percent allene, 30(+-8)percent methylacetylene and less than 10percent cyclopropene, in agreement with previous RRKM results. In the CH + acetylene reaction, detection of mainly the cyclic C3H2 isomer is contrary to a previous RRKM calculation that predicted linear triplet propargylene to be 90percent of the total H-atom co-products. High-level CBS-APNO quantum calculations and RRKM calculation for the CH + C2H2 reaction presented in this manuscript predict a higher contribution of the cyclic C3H2 (27.0percent) versus triplet propargylene (63.5percent) than these earlier predictions. Extensive calculations on the C3H3 and C3H2D system combined with experimental isotope ratios for the CD + C2H2 reaction indicate that H-atom assisted isomerization in the present experiments is responsible for the discrepancy between the RRKM calculations and the experimental results. Cyclic isomers are also found to represent 30(+-6)percent of the detected products in the case of CH + methylacetylene, together with 33(+-6)percent 1,2,3-butatriene and 37(+-6)percent vinylacetylene. The CH + allene reaction gives 23(+-5)percent 1,2,3-butatriene and 77(+-5)percent vinylacetylene, whereas cyclic isomers are produced below the detection limit

  11. The Controlling Mechanism for Potential Loss in CH 3 NH 3 PbBr 3 Hybrid

    Office of Scientific and Technical Information (OSTI)

    Solar Cells (Journal Article) | SciTech Connect Journal Article: The Controlling Mechanism for Potential Loss in CH 3 NH 3 PbBr 3 Hybrid Solar Cells Citation Details In-Document Search Title: The Controlling Mechanism for Potential Loss in CH 3 NH 3 PbBr 3 Hybrid Solar Cells We investigated moisture and thermal stability of MAPbBr3 perovskite material. Cubic MAPbBr3 was found to be moisture-insensitive and can avoid the thermal stability issues introduced by low-temperature phase transition

  12. DOE Cites CH2M-Washington Group Idaho for Price-Anderson Violations |

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    Department of Energy M-Washington Group Idaho for Price-Anderson Violations DOE Cites CH2M-Washington Group Idaho for Price-Anderson Violations June 14, 2007 - 1:40pm Addthis WASHINGTON, DC - The U.S. Department of Energy (DOE) today notified CH2M-Washington Group Idaho (CWI) that it will fine the company $55,000 for violations of the Department's nuclear safety requirements. CWI is the prime contractor responsible for managing the Idaho Cleanup Project at the Idaho National Laboratory site.

  13. Controllable Sequential Deposition of Planar CH3NH3PbI3 Perovskite via

    Office of Scientific and Technical Information (OSTI)

    Adjustable Volume Expansion (Journal Article) | SciTech Connect Controllable Sequential Deposition of Planar CH3NH3PbI3 Perovskite via Adjustable Volume Expansion Citation Details In-Document Search Title: Controllable Sequential Deposition of Planar CH3NH3PbI3 Perovskite via Adjustable Volume Expansion Authors: Zhang, Taiyang ; Yang, Mengjin ; Zhao, Yixin ; Zhu, Kai Publication Date: 2015-06-10 OSTI Identifier: 1220666 Report Number(s): NREL/JA-5900-63455 Resource Type: Journal Article

  14. Joint DOE-CH2M News Release Media Contact: For Immediate Release:

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    Joint DOE-CH2M News Release Media Contact: For Immediate Release: Destry Henderson, CH2M, (509) 376-8644, April 20, 2015 destry_j_henderson@rl.gov Mark Heeter, DOE, (509)373-1970, mark.heeter@rl.doe.gov WORKERS REMOVE LAST PENCIL TANK FROM KEY AREA OF HANFORD'S PLUTONIUM FINISHING PLANT Removal of contaminated pencil tanks brings facility one step closer toward demolition RICHLAND, Wash. - More than 50 pencil tank assemblies - some two stories tall - contaminated with chemical and radiological

  15. Rotational study of the CH{sub 4}–CO complex: Millimeter-wave measurements and ab initio calculations

    SciTech Connect

    Surin, L. A.; Tarabukin, I. V.; Panfilov, V. A.; Schlemmer, S.; Kalugina, Y. N.; Faure, A.; Rist, C.; Avoird, A. van der

    2015-10-21

    The rotational spectrum of the van der Waals complex CH{sub 4}–CO has been measured with the intracavity OROTRON jet spectrometer in the frequency range of 110–145 GHz. Newly observed and assigned transitions belong to the K = 2–1 subband correlating with the rotationless j{sub CH4} = 0 ground state and the K = 2–1 and K = 0–1 subbands correlating with the j{sub CH4} = 2 excited state of free methane. The (approximate) quantum number K is the projection of the total angular momentum J on the intermolecular axis. The new data were analyzed together with the known millimeter-wave and microwave transitions in order to determine the molecular parameters of the CH{sub 4}–CO complex. Accompanying ab initio calculations of the intermolecular potential energy surface (PES) of CH{sub 4}–CO have been carried out at the explicitly correlated coupled cluster level of theory with single, double, and perturbative triple excitations [CCSD(T)-F12a] and an augmented correlation-consistent triple zeta (aVTZ) basis set. The global minimum of the five-dimensional PES corresponds to an approximately T-shaped structure with the CH{sub 4} face closest to the CO subunit and binding energy D{sub e} = 177.82 cm{sup −1}. The bound rovibrational levels of the CH{sub 4}–CO complex were calculated for total angular momentum J = 0–6 on this intermolecular potential surface and compared with the experimental results. The calculated dissociation energies D{sub 0} are 91.32, 94.46, and 104.21 cm{sup −1} for A (j{sub CH4} = 0), F (j{sub CH4} = 1), and E (j{sub CH4} = 2) nuclear spin modifications of CH{sub 4}–CO, respectively.

  16. Axino Dark Matter from Q-Balls in Affleck-Dine Baryogenesis and the {omega}{sub b}-{omega}{sub DM} Coincidence Problem

    SciTech Connect

    Roszkowski, Leszek; Seto, Osamu

    2007-04-20

    We show that the {omega}{sub b}-{omega}{sub DM} coincidence can naturally be explained in a framework where axino is cold dark matter which is predominantly produced in nonthermal processes involving decays of Q-balls formed in Affleck-Dine baryogenesis. In this approach, the similarity of {omega}{sub b} and {omega}{sub DM} is a direct consequence of the (sub-)GeV scale of the mass of the axino, while the reheating temperature T{sub R} must be low, some 10{sup 2} GeV, or less.

  17. Influence of ball milling on atomic structure and magnetic properties of Co{sub 40}Fe{sub 22}Ta{sub 8}B{sub 30} glassy alloy

    SciTech Connect

    Taghvaei, Amir Hossein, E-mail: Amirtaghvaei@gmail.com [Department of Materials Science and Engineering, School of Engineering, Shiraz University, Shiraz (Iran, Islamic Republic of); Department of Materials Science and Engineering, Shiraz University of Technology, Shiraz (Iran, Islamic Republic of); Stoica, Mihai [IFW Dresden, Institute for Complex Materials, Helmholtzstr. 20, 01069 Dresden (Germany); Politehnica University of Timisoara, P-ta Victoriei 2, Timisoara (Romania); Bednar?ik, Jozef [HASYLAB at DESY, Notkestrasse 85, 22603 Hamburg (Germany); Kaban, Ivan [IFW Dresden, Institute for Complex Materials, Helmholtzstr. 20, 01069 Dresden (Germany); TU Dresden, Institut fr Werkstoffwissenschaft, 01062 Dresden (Germany); Shahabi, Hamed Shakur; Khoshkhoo, Mohsen Samadi [IFW Dresden, Institute for Complex Materials, Helmholtzstr. 20, 01069 Dresden (Germany); Janghorban, Kamal [Department of Materials Science and Engineering, School of Engineering, Shiraz University, Shiraz (Iran, Islamic Republic of); Eckert, Jrgen [IFW Dresden, Institute for Complex Materials, Helmholtzstr. 20, 01069 Dresden (Germany); TU Dresden, Institut fr Werkstoffwissenschaft, 01062 Dresden (Germany)

    2014-06-01

    The influence of ball milling on the atomic structure and magnetic properties of the Co{sub 40}Fe{sub 22}Ta{sub 8}B{sub 30} metallic glass with a high thermal stability and excellent soft magnetic properties has been investigated. After 14 h of milling, the obtained powders were found to consist mainly of an amorphous phase and a small fraction of the (Co,Fe){sub 21}Ta{sub 2}B{sub 6} nanocrystals. The changes in the reduced pair correlation functions suggest noticeable changes in the atomic structure of the amorphous upon ball milling. Furthermore, it has been shown that milling is accompanied by introduction of compressive and dilatational sites in the glassy phase and increasing the fluctuation of the atomic-level hydrostatic stress without affecting the coordination number of the nearest neighbors. Ball milling has decreased the thermal stability and significantly affected the magnetic properties through increasing the saturation magnetization, Curie temperature of the amorphous phase and coercivity. - Highlights: Ball milling affected the atomic structure of Co{sub 40}Fe{sub 22}Ta{sub 8}B{sub 30} metallic glass. Mechanically-induced crystallization started after 4 h milling. Milling increased the fluctuation of the atomic-level hydrostatic stress in glass. Ball milling influenced the thermal stability and magnetic properties.

  18. Time resolved infrared studies of C-H bond activation by organometallics

    SciTech Connect

    Asplund, M.C. |

    1998-06-01

    This work describes how step-scan Fourier Transform Infrared spectroscopy and visible and near infrared ultrafast lasers have been applied to the study of the photochemical activation of C-H bonds in organometallic systems, which allow for the selective breaking of C-H bonds in alkanes. The author has established the photochemical mechanism of C-H activation by Tp{sup *}Rh(CO){sub 2}(Tp{sup *} = HB-Pz{sup *}{sub 3}, Pz = 3,5-dimethylpyrazolyl) in alkane solution. The initially formed monocarbonyl forms a weak solvent complex, which undergoes a change in Tp{sup *} ligand connectivity. The final C-H bond breaking step occurs at different time scales depending on the structure of the alkane. In linear solvents, the time scale is <50 ns and cyclic alkanes is {approximately}200 ps. The reactivity of the Tp{sup *}Rh(CO){sub 2} system has also been studied in aromatic solvents. Here the reaction proceeds through two different pathways, with very different time scales. The first proceeds in a manner analogous to alkanes and takes <50 ns. The second proceeds through a Rh-C-C complex, and takes place on a time scale of 1.8 {micro}s.

  19. HA' R$,kAW CH EM I CAL CO,M i=ANY A

    Office of Legacy Management (LM)

    TH Ii ' HA' R,kAW CH EM I CAL CO,M iANY A December 30, 1955 U. S. Atomic Energy Commission Oak Ridge OperationwOfflce Post Office Box "E" Oak Ridge, Tennessee Attention: Mr. T. ...

  20. Magneto-optically modulated CH/sub 3/OH laser for Faraday rotation measurements in tokamaks

    SciTech Connect

    Mansfield, D.K.; Johnson, L.C.

    1981-07-01

    Distortion-free intracavity polarization modulation of an optically pumped CH/sub 3/OH laser is shown to be viable. The possible use of this modulation technique to make a multichannel Faraday rotation measurement on a Tokamak device is discussed. In addition, the CdTe Faraday modulator employed in this study is shown to have an anomalously large Verdet constant.

  1. X-ray Thomson scattering measurements of temperature and density from multi-shocked CH capsules

    DOE PAGES [OSTI]

    Fletcher, L. B.; Glenzer, S. H.; Kritcher, A.; Pak, A.; Ma, T.; Doppner, T.; Fortmann, C.; Divol, L.; Landen, O. L.; Vorberger, J.; et al

    2013-05-24

    Proof-of-principle measurements of the electron densities, temperatures, and ionization states of spherically compressed multi-shocked CH (polystyrene) capsules have been achieved using spectrally resolved x-ray Thomson scattering. A total energy of 13.5 kJ incident on target is used to compress a 70 μm thick CH shell above solid-mass density using three coalescing shocks. Separately, a laser-produced zinc He-α x-ray source at 9 keV delayed 200 ps-800 ps after maximum compression is used to probe the plasma in the non-collective scattering regime. The data show that x-ray Thomson scattering enables a complete description of the time-dependent hydrodynamic evolution of shock-compressed CH capsules,more » with a maximum measured density of ρ > 6 g cm–3. Additionally, the results demonstrate that accurate measurements of x-ray scattering from bound-free transitions in the CH plasma demonstrate strong evidence that continuum lowering is the primary ionization mechanism of carbon L-shell electrons.« less

  2. Ping Pong Ball Anemometers

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    * Learning Goal(s) Students will be able to construct and calibrate an anemometer to measure wind speed. They will be able to create a graph and an equation of Angle vs. Wind Speed and use them to find wind speed or angle, given the other variable. * Energy Connection This lesson is part of a larger unit on renewable energy, with examinations of wind, solar and biomass energy. Understanding wind speed is critical to understanding efficiency of wind turbines. * Connection to Standards Colorado

  3. Spinning supersymmetric Q balls

    SciTech Connect

    Campanelli, L.; Ruggieri, M.

    2009-08-01

    We construct nontopological solitonic solutions in (3+1)-dimensional Minkowski spacetime carrying a conserved global U(1) charge and nonvanishing angular momentum in a supersymmetric extension of the standard model with low-energy, gauge-mediated symmetry breaking.

  4. Isovector Q balls

    SciTech Connect

    Voronov, N. A.; Korobitsyna, S. A.

    2013-01-15

    Finite-energy solutions rotating at a constant angular velocity in isovector space are considered within theories that possess global SO(3) symmetry (isovector theories). It is shown that, for a nonlinear O(3) model (n field), such solutions exist only in the one-dimensional case. For the isovector theory proposed by S. Weinberg in order to describe low-energy properties of the {pi} mesons, such solutions exist at some values of parameters that appear in this theory. Some properties of these solutions are studied.

  5. MW and FTFIR transitions of {sup 13}CH{sub 3}OH revisited and review of MW spectra of CH{sub 3}OH and {sup 13}CH{sub 3}OH of astrophysical interest

    SciTech Connect

    Xu, Li-Hong; Walsh, M.S.; Lees, R.M.

    1996-12-31

    Microwave (MW), millimeter-wave (MMW) and Fourier-transform far-infrared (FTFIR) transitions in the first two torsional states (v{sub t} = 0 below the barrier and v{sub t} = 1 straddling the barrier) of the ground vibrational state of C-13 methanol have been globally treated and successfully fitted to within assigned measurement uncertainties using a program (I. Kleiner and M. Godefroid private communication) originally designed for acetaldehyde (CH{sub 3}CHO) based on the formalism of Herbst et al. The {sup 13}CH{sub 3}OH data set (v {sub t} {le} 1, J {le} 20, K{sub max} {le} 14) contains 725 MW and MMW lines, assigned a {+-}50 kHz measurement uncertainty apart from a few K-doublet lines, and 6283 FTFIR lines each assigned an uncertainty of {+-}0.0002 cm{sup -1} = {+-}6 MHz. A very satisfactory convergent fit has been achieved using 55 adjustable and 2 fixed parameters, yielding an overall weighted standard deviation of 0.962. Calculations employing the parameters from the final fit reveal possible C-13 assignments for 28 lines appearing in natural abundance in the newly-measured methanol microwave atlas from 7 to 200 GHz compiled by the group of K. Takagi at Toyama University.

  6. Turbulence and combustion interaction: High resolution local flame front structure visualization using simultaneous single-shot PLIF imaging of CH, OH, and CH{sub 2}O in a piloted premixed jet flame

    SciTech Connect

    Li, Z.S.; Li, B.; Sun, Z.W.; Alden, M. [Division of Combustion Physics, Lund University, P.O. Box 118, S-221 00 Lund (Sweden); Bai, X.S. [Division of Fluid Mechanics, Lund University, P.O. Box 118, S-221 00 Lund (Sweden)

    2010-06-15

    High resolution planar laser-induced fluorescence (PLIF) was applied to investigate the local flame front structures of turbulent premixed methane/air jet flames in order to reveal details about turbulence and flame interaction. The targeted turbulent flames were generated on a specially designed coaxial jet burner, in which low speed stoichiometric gas mixture was fed through the outer large tube to provide a laminar pilot flame for stabilization of the high speed jet flame issued through the small inner tube. By varying the inner tube flow speed and keeping the mixture composition as that of the outer tube, different flames were obtained covering both the laminar and turbulent flame regimes with different turbulent intensities. Simultaneous CH/CH{sub 2}O, and also OH PLIF images were recorded to characterize the influence of turbulence eddies on the reaction zone structure, with a spatial resolution of about 40 {mu}m and temporal resolution of around 10 ns. Under all experimental conditions, the CH radicals were found to exist only in a thin layer; the CH{sub 2}O were found in the inner flame whereas the OH radicals were seen in the outer flame with the thin CH layer separating the OH and CH{sub 2}O layers. The outer OH layer is thick and it corresponds to the oxidation zone and post-flame zone; the CH{sub 2}O layer is thin in laminar flows; it becomes broad at high speed turbulent flow conditions. This phenomenon was analyzed using chemical kinetic calculations and eddy/flame interaction theory. It appears that under high turbulence intensity conditions, the small eddies in the preheat zone can transport species such as CH{sub 2}O from the reaction zones to the preheat zone. The CH{sub 2}O species are not consumed in the preheat zone due to the absence of H, O, and OH radicals by which CH{sub 2}O is to be oxidized. The CH radicals cannot exist in the preheat zone due to the rapid reactions of this species with O{sub 2} and CO{sub 2} in the inner-layer of the

  7. Rare-earth transition-metal gallium chalcogenides RE{sub 3}MGaCh{sub 7} (M=Fe, Co, Ni; Ch=S, Se)

    SciTech Connect

    Rudyk, Brent W.; Stoyko, Stanislav S.; Oliynyk, Anton O.; Mar, Arthur

    2014-02-15

    Six series of quaternary rare-earth transition-metal chalcogenides RE{sub 3}MGaCh{sub 7} (M=Fe, Co, Ni; Ch=S, Se), comprising 33 compounds in total, have been prepared by reactions of the elements at 1050 °C (for the sulphides) or 900 °C (for the selenides). They adopt noncentrosymmetric hexagonal structures (ordered Ce{sub 3}Al{sub 1.67}S{sub 7}-type, space group P6{sub 3}, Z=2) with cell parameters in the ranges of a=9.5–10.2 Å and c=6.0–6.1 Å for the sulphides and a=10.0–10.5 Å and c=6.3–6.4 Å for the selenides as refined from powder X-ray diffraction data. Single-crystal structures were determined for five members of the sulphide series RE{sub 3}FeGaS{sub 7} (RE=La, Pr, Tb) and RE{sub 3}CoGaS{sub 7} (RE=La, Tb). The highly anisotropic crystal structures consist of one-dimensional chains of M-centred face-sharing octahedra and stacks of Ga-centred tetrahedra all pointing in the same direction. Magnetic measurements on the sulphides reveal paramagnetic behaviour in some cases and long-range antiferromagnetic behaviour with low Néel temperatures (15 K or lower) in others. Ga L-edge XANES spectra support the presence of highly cationic Ga tetrahedral centres with a tendency towards more covalent Ga–Ch character on proceeding from the sulphides to the selenides. Band structure calculations on La{sub 3}FeGaS{sub 7} indicate that the electronic structure is dominated by Fe 3d-based states near the Fermi level. - Graphical abstract: The series of chalcogenides RE{sub 3}MGaS{sub 7}, which form for a wide range of rare-earth and transition metals (M=Fe, Co, Ni), adopt highly anisotropic structures containing chains of M-centred octahedra and stacks of Ga-centred tetrahedra. Display Omitted - Highlights: • Six series (comprising 33 compounds) of chalcogenides RE{sub 3}MGaCh{sub 7} were prepared. • They adopt noncentrosymmetric hexagonal structures with high anisotropy. • Most compounds are paramagnetic; some show antiferromagnetic ordering. • Ga L

  8. Synthesis of Fe/SiO{sub 2} and iron oxides/SiO{sub 2} nanocomposites by long-term ball milling

    SciTech Connect

    Pozo Lpez, G.; Cond, A.M.; Urreta, S.E.; Silvetti, S.P.

    2014-01-01

    Graphical abstract: - Highlights: Ironiron oxides/silica composites are synthesized by long term dry ball-milling. Bcc iron and ?-quartz powders are used as precursors. Surface effects enhance coercivity in iron/silica nanocomposites. In spite of their small size, about 10 nm, iron particles are ferromagnetic. Ferro and superparamagnetic particles are found in maghemite/silica composites. - Abstract: Iron oxide/SiO{sub 2} nanocomposites are synthesized by dry ball-milling a mixture of bcc Fe and ?-quartz powders for prolonged times. A sequence of nanocomposites is obtained, with small magnetic particles dispersed in a non magnetic, amorphous matrix. The powders are characterized by X-ray diffraction and transmission electron microscopy. The magnetic hysteresis properties are investigated in the range 50300 K. After 120 h milling, deformed, non-spherical, ?-Fe nanocrystallites of about 10 nm in size and very few small (<10 nm) maghemite particles are found. At room temperature, iron particles are ferromagnetic and a large effective magnetic anisotropy is estimated, which is mainly attributed to surface effects. Between 160 and 200 h milling, maghemite nanoparticles are observed while after 220 h grinding, hematite phase appears; after 340 h milling, the sample consists of ferromagnetic hematite particles with a broad size distribution (550 nm) embedded in an amorphous matrix.

  9. Communication: Photodissociation of CH{sub 3}CHO at 308 nm: Observation of H-roaming, CH{sub 3}-roaming, and transition state pathways together along the ground state surface

    SciTech Connect

    Li, Hou-Kuan; Tsai, Po-Yu; Hung, Kai-Chan; Kasai, Toshio; Lin, King-Chuen

    2015-01-28

    Following photodissociation of acetaldehyde (CH{sub 3}CHO) at 308 nm, the CO(v = 1–4) fragment is acquired using time-resolved Fourier-transform infrared emission spectroscopy. The CO(v = 1) rotational distribution shows a bimodal feature; the low- and high-J components result from H-roaming around CH{sub 3}CO core and CH{sub 3}-roaming around CHO radical, respectively, in consistency with a recent assignment by Kable and co-workers (Lee et al., Chem. Sci. 5, 4633 (2014)). The H-roaming pathway disappears at the CO(v ≥ 2) states, because of insufficient available energy following bond-breaking of H + CH{sub 3}CO. By analyzing the CH{sub 4} emission spectrum, we obtained a bimodal vibrational distribution; the low-energy component is ascribed to the transition state (TS) pathway, consistent with prediction by quasiclassical trajectory calculations, while the high-energy component results from H- and CH{sub 3}-roamings. A branching fraction of H-roaming/CH{sub 3}-roaming/TS contribution is evaluated to be (8% ± 3%)/(68% ± 10%)/(25% ± 5%), in which the TS pathway was observed for the first time. The three pathways proceed concomitantly along the electronic ground state surface.

  10. High-resolution spectroscopy of jet-cooled CH{sub 5}{sup +}: Progress

    SciTech Connect

    Savage, C.; Dong, F.; Nesbitt, D. J.

    2015-01-22

    Protonated methane (CH{sub 5}{sup +}) is thought to be a highly abundant molecular ion in interstellar medium, as well as a potentially bright μwave- mm wave emitter that could serve as a tracer for methane. This paper describes progress and first successful efforts to obtain a high resolution, supersonically cooled spectrum of CH{sub 5}{sup +} in the 2900-3100 cm{sup −1} region, formed in a slit supersonic discharge at low jet temperatures and with sub-Doppler resolution. Short term precision in frequency measurement (< 5 MHz on an hour time scale) is obtained from a thermally controlled optical transfer cavity servoloop locked onto a frequency stabilized HeNe laser. Long term precision (< 20 MHz day-to-day) due to pressure, temperature and humidity dependent index of refraction effects in the optical transfer cavity is also present and discussed.

  11. CO2 CH4 flux Air temperature Soil temperature and Soil moisture, Barrow, Alaska 2013 ver. 1

    SciTech Connect

    Margaret Torn

    2015-01-14

    This dataset consists of field measurements of CO2 and CH4 flux, as well as soil properties made during 2013 in Areas A-D of Intensive Site 1 at the Next-Generation Ecosystem Experiments (NGEE) Arctic site near Barrow, Alaska. Included are i) measurements of CO2 and CH4 flux made from June to September (ii) Calculation of corresponding Gross Primary Productivity (GPP) and CH4 exchange (transparent minus opaque) between atmosphere and the ecosystem (ii) Measurements of Los Gatos Research (LGR) chamber air temperature made from June to September (ii) measurements of surface layer depth, type of surface layer, soil temperature and soil moisture from June to September.

  12. CO2 CH4 flux Air temperature Soil temperature and Soil moisture, Barrow, Alaska 2013 ver. 1

    DOE Data Explorer

    Margaret Torn

    This dataset consists of field measurements of CO2 and CH4 flux, as well as soil properties made during 2013 in Areas A-D of Intensive Site 1 at the Next-Generation Ecosystem Experiments (NGEE) Arctic site near Barrow, Alaska. Included are i) measurements of CO2 and CH4 flux made from June to September (ii) Calculation of corresponding Gross Primary Productivity (GPP) and CH4 exchange (transparent minus opaque) between atmosphere and the ecosystem (ii) Measurements of Los Gatos Research (LGR) chamber air temperature made from June to September (ii) measurements of surface layer depth, type of surface layer, soil temperature and soil moisture from June to September.

  13. Contract DE-AC02-07CH11358 Modifications Language Changes

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    AC02-07CH11358 Modifications Language Changes Modification 204 October 05, 2016 Part III, Section J - List of Attachments * Attachment No. J.2, Appendix B - Performance Evaluation Measurement Plan (PEMP) (replaced Mod 183) Modification 200 August 18, 2016 Part I, Section H - Special Contract Requirements (replace Mod 192) Part II, Section I - Contract Clauses (replaced Mod 192) Part III, Section J - List of Attachments * Attachment No. J.5, Appendix E - Ames Laboratory Department of Energy

  14. Asymmetric Intramolecular Alkylation of Chiral Aromatic Imines via Catalytic C-H Bond Activation

    SciTech Connect

    Watzke, Anja; Wilson, Rebecca; O'Malley, Steven; Bergman, Robert; Ellman, Jonathan

    2007-04-16

    The asymmetric intramolecular alkylation of chiral aromatic aldimines, in which differentially substituted alkenes are tethered meta to the imine, was investigated. High enantioselectivities were obtained for imines prepared from aminoindane derivatives, which function as directing groups for the rhodium-catalyzed C-H bond activation. Initial demonstration of catalytic asymmetric intramolecular alkylation also was achieved by employing a sterically hindered achiral imine substrate and catalytic amounts of a chiral amine.

  15. 10 CFR Ch. III (1-1-11 Edition) Pt. 851, App. B

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    2 10 CFR Ch. III (1-1-11 Edition) Pt. 851, App. B must meet the applicable electrical safety codes and standards referenced in § 851.23. 11. NANOTECHNOLOGY SAFETY-RESERVED The Department has chosen to reserve this section since policy and procedures for nano- technology safety are currently being devel- oped. Once these policies and procedures have been approved, the rule will be amended to include them through a rulemaking con- sistent with the Administrative Procedure Act. 12. WORKPLACE

  16. The U.S. Department of Energy and contractor CH2M HILL Plateau Remediation

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    6 . The U.S. Department of Energy and contractor CH2M HILL Plateau Remediation Company manage the Waste Encapsulation and Storage Facility at the Hanford Site in southeast Washington state. Waste Encapsulation and Storage Facility Background The Waste Encapsulation and Storage Facility (WESF) provides safe and compliant underwater storage for 1,936 highly radioactive capsules containing the elements cesium and strontium. In the 1970s, radioactive isotopes of the chemical elements cesium and

  17. New directions for QA in basic research: The Fermilab/DOE-CH experience

    SciTech Connect

    Bodnarczuk, M.

    1989-09-01

    This paper addresses the underlying problems involved in developing institution-wide QA programs at DOE funded basic research facilities, and suggests concrete ways in which QA professionals and basic researchers can find common ground in describing and analyzing those activities to the satisfaction of both communities. The paper is designed to be a springboard into workshop discussions which can define a path for developing institution-wide QA programs based on the experience gained with DOE-CH and Fermilab.

  18. Mode-selective chemistry on metal surfaces: The dissociative chemisorption of CH4 on Pt(111)

    DOE PAGES [OSTI]

    Guo, Han; Jackson, Bret

    2016-05-13

    A quantum approach based on an expansion in vibrationally adiabatic eigenstates is used to explore CH4 dissociation on Pt(111). Computed sticking probabilities for molecules in the ground, 1v3 and 2v3, states are in very good agreement with the available experimental data, reproducing the variation in reactivity with collision energy and vibrational state. As was found in similar studies on Ni(100) and Ni(111), exciting the 1v1 symmetric stretch of CH4 is more effective at promoting the dissociative chemisorption of CH4 than exciting the 1v3 antisymmetric stretch. This behavior is explained in terms of symmetry, mode-softening, and nonadiabatic transitions between vibrationally adiabaticmore » states. We find that the efficacies of the bending modes for promoting reaction are reasonably large, and similar to the 1v3 state. The vibrational efficacies for promoting reaction on Ni(111) are larger than for reaction on Pt(111), due to the larger nonadiabatic couplings. As a result, our computed sticking probabilities are in good agreement with results from recent ab initio molecular dynamics and reactive force field studies.« less

  19. Communication: Ultraviolet photodissociation dynamics of the simplest Criegee intermediate CH{sub 2}OO

    SciTech Connect

    Lehman, Julia H.; Li, Hongwei; Beames, Joseph M.; Lester, Marsha I.

    2013-10-14

    The velocity and angular distributions of O {sup 1}D photofragments arising from UV excitation of the CH{sub 2}OO intermediate on the B {sup 1}A??X {sup 1}A? transition are characterized using velocity map ion imaging. The anisotropic angular distribution yields the orientation of the transition dipole moment, which reflects the ?*?? character of the electronic transition associated with the COO group. The total kinetic energy release distributions obtained at several photolysis wavelengths provide detail on the internal energy distribution of the formaldehyde cofragments and the dissociation energy of CH{sub 2}OO X {sup 1}A? to O {sup 1}D + H{sub 2}CO X {sup 1}A{sub 1}. A common termination of the total kinetic energy distributions, after accounting for the different excitation energies, gives an upper limit for the CH{sub 2}OO X {sup 1}A? dissociation energy of D{sub 0}? 54 kcal mol{sup ?1}, which is compared with theoretical predictions including high level multi-reference ab initio calculations.

  20. Recycling process for recovery of gallium from GaN an e-waste of LED industry through ball milling, annealing and leaching

    SciTech Connect

    Swain, Basudev Mishra, Chinmayee; Kang, Leeseung; Park, Kyung-Soo Lee, Chan Gi; Hong, Hyun Seon

    2015-04-15

    Waste dust generated during manufacturing of LED contains significant amounts of gallium and indium, needs suitable treatment and can be an important resource for recovery. The LED industry waste dust contains primarily gallium as GaN. Leaching followed by purification technology is the green and clean technology. To develop treatment and recycling technology of these GaN bearing e-waste, leaching is the primary stage. In our current investigation possible process for treatment and quantitative leaching of gallium and indium from the GaN bearing e-waste or waste of LED industry dust has been developed. To recycle the waste and quantitative leaching of gallium, two different process flow sheets have been proposed. In one, process first the GaN of the waste the LED industry dust was leached at the optimum condition. Subsequently, the leach residue was mixed with Na{sub 2}CO{sub 3}, ball milled followed by annealing, again leached to recover gallium. In the second process, the waste LED industry dust was mixed with Na{sub 2}CO{sub 3}, after ball milling and annealing, followed acidic leaching. Without pretreatment, the gallium leaching was only 4.91 w/w % using 4 M HCl, 100 °C and pulp density of 20 g/L. After mechano-chemical processing, both these processes achieved 73.68 w/w % of gallium leaching at their optimum condition. The developed process can treat and recycle any e-waste containing GaN through ball milling, annealing and leaching. - Highlights: • Simplest process for treatment of GaN an LED industry waste developed. • The process developed recovers gallium from waste LED waste dust. • Thermal analysis and phase properties of GaN to Ga{sub 2}O{sub 3} and GaN to NaGaO{sub 2} revealed. • Solid-state chemistry involved in this process reported. • Quantitative leaching of the GaN was achieved.

  1. ch_8

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    Occupational Health and Safety Impacts - New Information - 8-3 DOEEIS-0287 Idaho HLW & FD EIS TABLE OF CONTENTS (continued) Section Appendix C.4 Facility Accidents C.4.1 Facility...

  2. ch_13

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    10-9, 10-11, 11-5, 11-83, C.8-5, C.8-17, C.8-18, C.8-46 13-3 DOEEIS-0287 Idaho HLW & FD EIS I incidental waste (also waste incidental to reprocessing) - iii, 2-8, 2-9, 2-10,...

  3. ch_2

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    there are known or suspected releases of hazardous sub- stances into the environment and (2) safely man- age contaminated surplus nuclear facilities as they are decommissioned. ...

  4. ch_12

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    ... The Honorable C.W. "Bill" Young Chairman Committee on Appropriations The Honorable David Obey Ranking Minority ... Louisiana State University Mr. Grady Cox Mr. Mike Crane Mr. ...

  5. ch_4

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    58 Affected Environment 4.9.1 PLANT COMMUNITIES AND ASSOCIATIONS INEEL lies within a cool ... Research Foundation to determine the effects of introduc- ing a non-native plant species. ...

  6. ch_2

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    The Tank Farm consists of storage tanks, tank vaults, interconnecting waste transfer ... several small buildings that contain instrumenta- tion and equipment for the waste tanks. ...

  7. ch_5

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    This could require removal of all buildings, vaults, tanks, transfer piping, and ... razed and most below-ground structures (tanks, vaults, and transfer piping) would be ...

  8. ch_3

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    Idaho HLW & FD EIS except the pillar and panel tanks) would be full of mixed transuranic ... to operate to allow the pillar and panel tanks to be taken out of service in 2003. The ...

  9. ch_9

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    ... Engineering Laboratory Environmental Restoration and Waste Management Programs EIS TWRS EIS Tank Waste Remediation System EIS Yucca Mountain EIS EIS for a Geologic Repository ...

  10. ch_3

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    and treatment technologies to both the mixed transuranic wasteSBW and mixed HLW cal- cine. The products resulting from these differ- ent technologies would be managed as...

  11. ch_11

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    ... 11-33 III.D.2.a Hot Isostatic Pressed Waste ... 11-52 IV.D Performance Based Closure with Low-level ... Air Quality 11-75 VIII.C Water Resources 11-78 VIII.D ...

  12. ch_5

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    45 DOEEIS-0287 Idaho HLW & FD EIS 5.3.4.2 Existing Facilities Associated with High-Level Waste Management The facilities in this group are those that have historically been used...

  13. ch_4

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    1998, INEEL contracts paid $1.4 million to the State of Idaho in Idaho sales taxes and an additional $0.9 million in Idaho franchise tax. 4.4 Cultural Resources 4.4.1 CULTURAL RESOURCE MANAGEMENT AND CONSULTATION AT INEEL Cultural resources at INEEL include archaeolog- ical and historic resources, such as prehistoric camp sites and historic buildings and trails, as well as the plants, animals, physical locations, and other features of INEEL environment impor- tant to the culture of the

  14. ch_4

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    18 Affected Environment visual range of the Fort Hall Indian Reservation. The Bitterroot, Lemhi, and Lost River mountain ranges are visible to the north and west of INEEL. East Butte and Middle Butte can be seen near the southern boundary, while Circular and Antelope Buttes are visible to the northeast. Smaller volcanic buttes dot the natural landscape of INEEL, providing a striking contrast to the relatively flat ground surface. The viewscape in general consists of terrain dominated by sage-

  15. ch_4

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    40 Affected Environment playas 15 to 20 miles northeast of INTEC, where the water infiltrates. The water in Birch Creek and the Little Lost River is diverted in summer months for irriga- tion prior to reaching INEEL. During periods of unusually high precipitation or rapid snow melt, water from Birch Creek and the Little Lost River may enter INEEL from the northwest and infil- trate the ground, recharging the underlying aquifer. 4.8.1.2 Local Drainage INTEC is located on an alluvial plain

  16. ch_4

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    47 DOE/EIS-0287 Idaho HLW & FD EIS 4.8.2 SUBSURFACE WATER Subsurface water at INEEL occurs in the under- lying Snake River Plain Aquifer and the vadose zone (area of unsaturated soil and material above the aquifer). This section describes the regional and local hydrogeology, vadose zone hydrology, perched water, and subsurface water quality. 4.8.2.1 Regional Hydrogeology INEEL overlies the Snake River Plain Aquifer as shown in Figure 4-12. This aquifer is the major source of drinking water

  17. ch_5

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    22 5.2.6 AIR RESOURCES Air pollutant emissions associated with construction and operation of facilities to support the waste processing al- ternatives could affect the air resources in the region of the INEEL. DOE characterized air emission rates and calculated maximum consequences at onsite and offsite locations from projects associated with proposed waste processing alternatives. The assessments include emis- sions from stationary sources (facility stacks); fugitive sources from construction

  18. ch_5

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    44 Environmental Consequences 5.2.7 WATER RESOURCES This section presents potential water resource impacts from implement- ing the proposed waste processing alternatives described in Chapter 3. Section 5.2.14 dis- cusses potential impacts to INEEL water resources from accidents or unusual natural phe- nomena such as earth- quakes. Appendix C.9 discusses potential long- term impacts to INEEL water resources from facility closure. Because the Minimum INEEL Processing Alternative would involve

  19. ch_5

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    HLW & FD EIS 5-73 DOE/EIS-0287 tion dose to the nonin- volved worker and maximally exposed offsite individual and the collective dose to the population residing within 50 miles of INTEC. The radiation dose values for the var- ious alternatives were then multiplied by the dose-to-risk conversion factors, which are based on the 1993 Limitations of Exposure to Ionizing Radiation (NCRP 1993). DOE has adopted these risk fac- tors of 0.0005 and 0.0004 latent cancer fatality (LCF) for each

  20. ch_9

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

  1. ch_5

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    ... 5,000 millirem per year, as specified in 10 CFR 835.202.) Nonradiological impacts are illustrated in Figures 5.3-2 (for criteria pollutants) and 5.3-3 (for toxic air pollutants). ...

  2. ch_3

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    ... A temporary increase in sediment loads in stormwater runoff would be expected as a result ... A temporary increase in sediment loads in stormwater runoff would be expected as a result ...

  3. ch_6

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    ... Citation - Waste incidental to reprocessing by citation includes spent nuclear fuel reprocessing plant wastes that meet the "incidental waste" description included in the Notice of ...

  4. ch_3

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    ... (such as that at the Nevada Test Site) as the final ... Using this non-thermal technology would allow the mixed ... could result in waste stratification and precipitation. ...

  5. ch_4

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    and Jefferson counties in southeastern Idaho. ... INEEL facility and program operations associated with energy research and waste ... The largest cities in the region of influence ...

  6. ch_2

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    B B ackgr ackgr ound ound The Idaho National Engineering and Environmental Laboratory (INEEL) cur- rently manages waste associated with the processing of spent nuclear reactor ...

  7. ch_7

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    the Atomic Energy Act and the Resource Conservation and Recovery Act (RCRA) respectively. ... By-product material is exempt from regulation under the Resource Conservation and Recovery ...

  8. ch_4

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    ... Depth of contaminated soils ranges from surface to nearly 50 feet. b. Source: Data from ... although terrain fea- tures near some locations cause variations from this flow regime. ...

  9. ch_10

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    ... D&D, waste management, construction engineering, Quality Engineering and audit of NQA-1 programs Facility Disposition Robert Starck B.S., Zoology, 1975 15 years environmental ...

  10. ch_5

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    ... cific plans and waste accords (e.g., Tri-Party ... disturbed, resources used (energy, services, and so forth), ... Significant Deterioration Amendments to the Clean Air Act. ...

  11. ch_1

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    ... The Nuclear Waste Policy Act of 1982, as amended, determined that a geological repository ... obtain- ing representative con- stituent samples from the large volumes of mixed ...

  12. ch_3

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    Idaho HLW & FD EIS poured into Savannah River Site-type stainless steel canisters. Figure ... The steam reformed product would be packaged in Savannah River Site-type stainless steel ...

  13. ch_9

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    ... DOC (U.S. Department of Commerce), 2000a, Race and Hispanic or Latino: 2000. Census 2000 Redistricting Data (Public Law 94-171) Summary File: Idaho - County, Economics and ...

  14. ch_4

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    based on annual exposure for 1995, 1996, and 1999. Based on 1990 U.S. Census Bureau data, the surrounding popula- tion consisted of approximately 120,000 people within a ...

  15. Facile fabrication of large-grain CH3NH3PbI3-xBrx films for high-efficiency

    Office of Scientific and Technical Information (OSTI)

    solar cells via CH3NH3Br-selective Ostwald ripening (Journal Article) | SciTech Connect Facile fabrication of large-grain CH3NH3PbI3-xBrx films for high-efficiency solar cells via CH3NH3Br-selective Ostwald ripening Citation Details In-Document Search Title: Facile fabrication of large-grain CH3NH3PbI3-xBrx films for high-efficiency solar cells via CH3NH3Br-selective Ostwald ripening Organometallic halide perovskite solar cells (PSCs) have shown great promise as a low-cost, high-efficiency

  16. Facile fabrication of large-grain CH3NH3PbI3-xBrx films for high-efficiency

    Office of Scientific and Technical Information (OSTI)

    solar cells via CH3NH3Br-selective Ostwald ripening (Journal Article) | DOE PAGES Facile fabrication of large-grain CH3NH3PbI3-xBrx films for high-efficiency solar cells via CH3NH3Br-selective Ostwald ripening Title: Facile fabrication of large-grain CH3NH3PbI3-xBrx films for high-efficiency solar cells via CH3NH3Br-selective Ostwald ripening Organometallic halide perovskite solar cells (PSCs) have shown great promise as a low-cost, high-efficiency photovoltaic technology. Structural and

  17. Aerobic C-H Acetoxylation of 8-Methylquinoline in PdII-Pyridinecarboxylic Acid Systems: Some Structure-Reactivity Relationships

    SciTech Connect

    Wang, Daoyong; Zavalij, Peter Y.; Vedernikov, Andrei N.

    2013-09-09

    Catalytic oxidative CH acetoxylation of 8-methylquinoline as a model substrate with O2 as oxidant was performed using palladium(II) carboxylate catalysts derived from four different pyridinecarboxylic acids able to form palladium(II) chelates of different size. A comparison of the rates of the substrate CH activation and the O2 activation steps shows that the CH activation step is rate-limiting, whereas the O2 activation occurs at a much faster rate already at 20 C. The chelate ring size and the chelate ring strain of the catalytically active species are proposed to be the key factors affecting the rate of the CH activation.

  18. A new measurement of the rare decay eta -> pi^0 gamma gamma with the Crystal Ball/TAPS detectors at the Mainz Microtron

    SciTech Connect

    Nefkens, B M; Prakhov, S; Aguar-Bartolom��, P; Annand, J R; Arends, H J; Bantawa, K; Beck, R; Bekrenev, V; Bergh��user, H; Braghieri, A; Briscoe, W J; Brudvik, J; Cherepnya, S; Codling, R F; Collicott, C; Costanza, S; Danilkin, I V; Denig, A; Demissie, B; Dieterle, M; Downie, E J; Drexler, P; Fil'kov, L V; Fix, A; Garni, S; Glazier, D I; Gregor, R; Hamilton, D; Heid, E; Hornidge, D; Howdle, D; Jahn, O; Jude, T C; Kashevarov, V L; K��ser, A; Keshelashvili, I; Kondratiev, R; Korolija, M; Kotulla, M; Koulbardis, A; Kruglov, S; Krusche, B; Lisin, V; Livingston, K; MacGregor, I J; Maghrbi, Y; Mancel, J; Manley, D M; McNicoll, E F; Mekterovic, D; Metag, V; Mushkarenkov, A; Nikolaev, A; Novotny, R; Oberle, M; Ortega, H; Ostrick, M; Ott, P; Otte, P B; Oussena, B; Pedroni, P; Polonski, A; Robinson, J; Rosner, G; Rostomyan, T; Schumann, S; Sikora, M H; Starostin, A; Strakovsky, I I; Strub, T; Suarez, I M; Supek, I; Tarbert, C M; Thiel, M; Thomas, A; Unverzagt, M; Watts, D P; Werthmueller, D; Witthauer, L

    2014-08-01

    A new measurement of the rare, doubly radiative decay eta->pi^0 gamma gamma was conducted with the Crystal Ball and TAPS multiphoton spectrometers together with the photon tagging facility at the Mainz Microtron MAMI. New data on the dependence of the partial decay width, Gamma(eta->pi^0 gamma gamma), on the two-photon invariant mass squared, m^2(gamma gamma), as well as a new, more precise value for the decay width, Gamma(eta->pi^0 gamma gamma) = (0.33+/-0.03_tot) eV, are based on analysis of 1.2 x 10^3 eta->pi^0 gamma gamma decays from a total of 6 x 10^7 eta mesons produced in the gamma p -> eta p reaction. The present results for dGamma(eta->pi^0 gamma gamma)/dm^2(gamma gamma) are in good agreement with previous measurements and recent theoretical calculations for this dependence.

  19. Low Surface Recombination Velocity in Solution-Grown CH3NH3PbBr3 Perovskite

    Office of Scientific and Technical Information (OSTI)

    Single Crystal (Journal Article) | DOE PAGES Low Surface Recombination Velocity in Solution-Grown CH3NH3PbBr3 Perovskite Single Crystal Title: Low Surface Recombination Velocity in Solution-Grown CH3NH3PbBr3 Perovskite Single Crystal Organic-inorganic hybrid perovskites are attracting intense research effort due to their impressive performance in solar cells. While the carrier transport parameters such as mobility and bulk carrier lifetime shows sufficient characteristics, the surface

  20. Contract No. DE-AC02-07CH11358 Contract Modification No. 0192

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    Contract Modification No. 0192 Section J Appendix H ATTACHMENT J.8 APPENDIX H SMALL BUSINESS SUBCONTRACTING PLAN Applicable to the Operation of AMES Laboratory Contract No. DE-AC02-07CH11358 'I'Hv. Ames Laboratory CtNrlng M*t*rl*l* & En*rgy So/utlotJI U ~ S, 0 £ J 1 A HT.M!NT C H' BNE UGY 2016 Subcontracting Plan Contractor: Ames Laboratory atlowa State Univers'ity (in eSRS a fowa State Equities Corporation) Address: 224 TASF, Ames IA 50011-3020 Solicitation or Contract Number: DE

  1. Contract No. DE-AC02-07CH11358 Section E Contract Modification No. 133

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    E Contract Modification No. 133 i PART I SECTION E INSPECTION AND ACCEPTANCE PAGE NO. E.1 - FAR 52.246-9 - INSPECTION OF RESEARCH AND DEVELOPMENT (SHORT FORM) (APR 1984) E-1 E.2 - CERTIFICATION E-1 Contract No. DE-AC02-07CH11358 Section E Contract Modification No.133 E-1 PART I SECTION E - INSPECTION AND ACCEPTANCE E.1 - FAR 52.246-9 - INSPECTION OF RESEARCH AND DEVELOPMENT (SHORT FORM) (APR 1984) The Government has the right to inspect and evaluate the work performed or being performed under

  2. Contract No. DE-AC02-07CH11358 Section F Contract Modification No. 0139

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    F Contract Modification No. 0139 i PART I SECTION F DELIVERIES OR PERFORMANCE TABLE OF CONTENTS PAGE NO. F.1 - PERIOD OF PERFORMANCE F-1 F.2 - AWARD TERM INCENTIVE (SPECIAL) F-1 F.3 - FAR 52.242-15 - STOP WORK ORDER (AUG 1989) - ALTERNATE I (APR 1984) F-4 F.4 - STOP WORK AND SHUTDOWN AUTHORITY F-5 F.5 - PRINCIPAL PLACE OF PERFORMANCE F-5 Contract No. DE-AC02-07CH11358 Section F Contract Modification No. 0139 F-1 PART I SECTION F - DELIVERIES OR PERFORMANCE F.1 - PERIOD OF PERFORMANCE (a) This

  3. ASSESSMENT REPORT Audit Coverage of Cost Allowability for URS | CH2M Oak Ridge LLC During

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    for URS | CH2M Oak Ridge LLC During Fiscal Years 2011, 2012, and 2013 Under Department of Energy Contract No. DE-SC0004645 OAI-V-16-09 June 2016 U.S. Department of Energy Office of Inspector General Office of Audits and Inspections Department of Energy Washington, DC 20585 June 10, 2016 MEMORANDUM FOR THE MANAGER, OAK RIDGE OFFICE OF ENVIRONMENTAL MANAGEMENT FROM: Debra K. Solmonson Deputy Assistant Inspector General for Audits and Inspections Office of Inspector General SUBJECT: INFORMATION:

  4. THE CHANDRA ACIS SURVEY OF M33 (ChASeM33): THE FINAL SOURCE CATALOG

    SciTech Connect

    Tuellmann, R.; Gaetz, T. J.; Plucinsky, P. P.; Challis, P.; Edgar, R. J.; Kirshner, R. P.; Kuntz, K. D.; Blair, W. P.; Williams, B. F.; Pietsch, W.; Haberl, F.; Long, K. S.; Sasaki, M.; Winkler, P. F.; Pannuti, T. G.; Helfand, D. J.; Hughes, J. P.; Mazeh, T.; Shporer, A.

    2011-04-01

    This study presents the final source catalog of the Chandra ACIS Survey of M33 (ChASeM33). With a total exposure time of 1.4 Ms, ChASeM33 covers {approx}70% of the D{sub 25} isophote (R {approx} 4.0 kpc) of M33 and provides the deepest, most complete, and detailed look at a spiral galaxy in X-rays. The source catalog includes 662 sources, reaches a limiting unabsorbed luminosity of {approx}2.4x10{sup 34} erg s{sup -1} in the 0.35-8.0 keV energy band, and contains source positions, source net counts, fluxes and significances in several energy bands, and information on source variability. The analysis challenges posed by ChASeM33 and the techniques adopted to address these challenges are discussed. To constrain the nature of the detected X-ray source, hardness ratios were constructed and spectra were fit for 254 sources, follow-up MMT spectra of 116 sources were acquired, and cross-correlations with previous X-ray catalogs and other multi-wavelength data were generated. Based on this effort, 183 of the 662 ChASeM33 sources could be identified. Finally, the luminosity function (LF) for the detected point sources as well as the one for the X-ray binaries (XRBs) in M33 is presented. The LFs in the soft band (0.5-2.0 keV) and the hard band (2.0-8.0 keV) have a limiting luminosity at the 90% completeness limit of 4.0 x 10{sup 34} erg s{sup -1} and 1.6 x 10{sup 35} erg s{sup -1}(for D = 817 kpc), respectively, which is significantly lower than what was reported by previous XRB population studies in galaxies more distant than M33. The resulting distribution is consistent with a dominant population of high-mass XRBs as would be expected for M33.

  5. Protons acceleration in thin CH foils by ultra-intense femtosecond laser pulses

    SciTech Connect

    Kosarev, I. N.

    2015-03-15

    Interaction of femtosecond laser pulses with the intensities 10{sup 21}, 10{sup 22 }W/cm{sup 2} with CH plastic foils is studied in the framework of kinetic theory of laser plasma based on the construction of propagators (in classical limit) for electron and ion distribution functions in plasmas. The calculations have been performed for real densities and charges of plasma ions. Protons are accelerated both in the direction of laser pulse (up to 1 GeV) and in the opposite direction (more than 5 GeV). The mechanisms of forward acceleration are different for various intensities.

  6. The Radiative Transfer Of CH{sub 4}-N{sub 2} Plasma Arc

    SciTech Connect

    Benallal, R.; Liani, B.

    2008-09-23

    Any physical modelling of a circuit-breaker arc therefore requires an understanding of the radiated energy which is taken into account in the form of a net coefficient. The evaluation of the net emission coefficient is performed by the knowledge of the chemical plasma composition and the resolution of the radiative transfer equation. In this paper, the total radiation which escapes from a CH{sub 4}-N{sub 2} plasma is calculated in the temperature range between 5000 and 30000K on the assumption of a local thermodynamic equilibrium and we have studied the nitrogen effect in the hydrocarbon plasmas.

  7. Contract No. DE-AC02-09CH11466 Section F

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    Modification No. 0164 Contract No. DE-AC02-09CH11466 Section F i PART I SECTION F DELIVERIES OR PERFORMANCE TABLE OF CONTENTS CLAUSE NO. TITLE OF CLAUSE F.1 PERIOD OF PERFORMANCE (Revised by Prime Contract Modification 041 - 07/13/2010; 0137 - 10/28/2013; 0164 - 08/07/2014) F.2 AWARD TERM INCENTIVE (SPECIAL) F.3 FAR 52.242-15 - STOP WORK ORDER (AUG 1989) ALTERNATE I (APR 1984) F.4 STOP WORK AND SHUTDOWN AUTHORITY F.5 PRINCIPAL PLACE OF PERFORMANCE Modification No. 0164 Contract No.

  8. CO2 and CH4 Fluxes across Polygon Geomorphic Types, Barrow, Alaska, 2006-2010

    DOE Data Explorer

    Tweedie,Craig; Lara, Mark

    2014-09-17

    Carbon flux data are reported as Net Ecosystem Exchange (NEE), Gross Ecosystem Exchange (GEE), Ecosystem Respiration (ER), and Methane (CH4) flux. Measurements were made at 82 plots across various polygon geomorphic classes at research sites on the Barrow Environmental Observatory (BEO), the Biocomplexity Experiment site on the BEO, and the International Biological Program (IBP) site a little west of the BEO. This product is a compilation of data from 27 plots as presented in Lara et al. (2012), data from six plots presented in Olivas et al. (2010); and from 49 plots described in (Lara et al. 2014). Measurements were made during the peak of the growing seasons during 2006 to 2010. At each of the measurement plots (except Olivas et al., 2010) four different thicknesses of shade cloth were used to generate CO2 light response curves. Light response curves were used to normalize photosynthetically active radiation that is diurnally variable to a peak growing season average ~400 umolm-2sec-1. At the Olivas et al. (2010) plots, diurnal patterns were characterized by repeated sampling. CO2 measurements were made using a closed-chamber photosynthesis system and CH4 measurements were made using a photo-acoustic multi-gas analyzer. In addition, plot-level measurements for thaw depth (TD), water table depth (WTD), leaf area index (LAI), and normalized difference vegetation index (NDVI) are summarized by geomorphic polygon type.

  9. CO2 and CH4 Fluxes across Polygon Geomorphic Types, Barrow, Alaska, 2006-2010

    DOE Data Explorer

    Tweedie,Craig; Lara, Mark

    Carbon flux data are reported as Net Ecosystem Exchange (NEE), Gross Ecosystem Exchange (GEE), Ecosystem Respiration (ER), and Methane (CH4) flux. Measurements were made at 82 plots across various polygon geomorphic classes at research sites on the Barrow Environmental Observatory (BEO), the Biocomplexity Experiment site on the BEO, and the International Biological Program (IBP) site a little west of the BEO. This product is a compilation of data from 27 plots as presented in Lara et al. (2012), data from six plots presented in Olivas et al. (2010); and from 49 plots described in (Lara et al. 2014). Measurements were made during the peak of the growing seasons during 2006 to 2010. At each of the measurement plots (except Olivas et al., 2010) four different thicknesses of shade cloth were used to generate CO2 light response curves. Light response curves were used to normalize photosynthetically active radiation that is diurnally variable to a peak growing season average ~400 umolm-2sec-1. At the Olivas et al. (2010) plots, diurnal patterns were characterized by repeated sampling. CO2 measurements were made using a closed-chamber photosynthesis system and CH4 measurements were made using a photo-acoustic multi-gas analyzer. In addition, plot-level measurements for thaw depth (TD), water table depth (WTD), leaf area index (LAI), and normalized difference vegetation index (NDVI) are summarized by geomorphic polygon type.

  10. Cooperative, Multicentered CH/ Interaction-Controlled Supramolecular Self-Assembly Processes

    SciTech Connect

    Li, Qing; Han, Chengbo; Horton, Scott R; Fuentes-Cabrera, Miguel A; Sumpter, Bobby G; Lu, Wenchang; Bernholc, J.; Maksymovych, Petro; Pan, Minghu

    2012-01-01

    Supramolecular self-assembly on well-defined surfaces provides access to a multitude of nanoscale architectures, including clusters of distinct symmetry and size. The driving forces underlying supramolecular structures generally involve both graphoepitaxy and weak directional nonconvalent interactions. Here we show that functionalizing a benzene molecule with an ethyne group introduces attractive interactions in a 2D geometry, which would otherwise be dominated by intermolecular repulsion. Furthermore, the attractive interactions enable supramolecular self-assembly, wherein a subtle balance between very weak CH/{pi} bonding and molecule-surface interactions produces a well-defined 'magic' dimension and chirality of supramolecular clusters. The nature of the process is corroborated by extensive scanning tunneling microscopy/spectroscopy (STM/S) measurements and ab initio calculations, which emphasize the cooperative, multicenter characters of the CH/{pi} interaction. This work points out new possibilities for chemical functionalization of {pi}-conjugated hydrocarbon molecules that may allow for the rational design of supramolecular clusters with a desired shape and size.

  11. Dissociation of deep-core-excited CH{sub 3}Cl

    SciTech Connect

    Hansen, D.L.; Martin, R.; Vanderford, B.

    1997-04-01

    Using x-rays from B.L. 9.3.1, a space-focused time-of-flight (TOF) was used to study photofragmentation of CH{sub 3}Cl following excitation in the neighborhood of the Cl K-shell threshold ({approximately} 2.8 keV). Multi-ion coincidence measurements were used to search for selective dissociation of specific bonds in the molecule. Such selectivity has been observed for excitation near outer-core-level thresholds (e.g., Cl 2p), but this is the first study in deep core levels, where very-short core-hole lifetimes and Auger cascade effects may influence fragmentation. Both high-resolution time-of-flight spectroscopy and multi-coincidence photoelectron-photoion-photoion (PE-PIPICO), as well as photoelectron-photoion-photoion-photoion (PE3PICO) measurements were performed. Dramatic changes in the line shapes for different fragment ions are observed as a function of the excitation energy, and are attributed to selective dissociation of the CH{sub 3}Cl molecule along the C-Cl bond. In addition, pronounced angular distributions of the ejected ions are observed on resonance.

  12. Class I methanol (CH{sub 3}OH) maser conditions near supernova remnants

    SciTech Connect

    McEwen, Bridget C.; Pihlstrm, Ylva M.; Sjouwerman, Lornt O.

    2014-10-01

    We present results from calculations of the physical conditions necessary for the occurrence of 36.169 (4{sub 1}-3{sub 0} E), 44.070 (7{sub 0}-6{sub 1} A {sup +}), 84.521 (5{sub 1}-4{sub 0} E), and 95.169 (8{sub 0}-7{sub 1} A {sup +}) GHz methanol (CH{sub 3}OH) maser emission lines near supernova remnants (SNRs), using the MOLPOP-CEP program. The calculations show that given a sufficient methanol abundance, methanol maser emission arises over a wide range of densities and temperatures, with optimal conditions at n ? 10{sup 4}-10{sup 6} cm{sup 3} and T > 60 K. The 36 GHz and 44 GHz transitions display more significant maser optical depths compared to the 84 GHz and 95 GHz transitions over the majority of physical conditions. It is also shown that line ratios are an important and applicable probe of the gas conditions. The line ratio changes are largely a result of the E-type transitions becoming quenched faster at increasing densities. The modeling results are discussed using recent observations of CH{sub 3}OH and hydroxyl (OH) masers near the SNRs G1.40.1, W28, and Sgr A East.

  13. Insights into the structure of mixed CO2/CH4 in gas hydrates

    SciTech Connect

    Everett, S. Michelle; Rawn, Claudia J.; Chakoumakos, Bryan C.; Keffer, David J.; Huq, Ashfia; Phelps, Tommy J.

    2015-05-12

    The exchange of carbon dioxide for methane in natural gas hydrates is an attractive approach to harvesting CH4 for energy production while simultaneously sequestering CO2. In addition to the energy and environmental implications, the solid solution of clathrate hydrate (CH4)1-x(CO2)x·5.75H2O provides a model system to study how the distinct bonding and shapes of CH4 and CO2 influence the structure and properties of the compound. In this paper, high-resolution neutron diffraction was used to examine mixed CO2/CH4 gas hydrates. CO2-rich hydrates had smaller lattice parameters, which were attributed to the higher affinity of the CO2 molecule interacting with H2O molecules that form the surrounding cages, and resulted in a reduction in the unit-cell volume. Experimental nuclear scattering densities illustrate how the cage occupants and energy landscape change with composition. Finally, these results provide important insights on the impact and mechanisms for the structure of mixed CH4/CO2 gas hydrate.

  14. Memorandum, CH2M HG Idaho, LLC, Request for Variance to Title 10 Code of Federal Regulations part 851, "Worker Safety and Health"

    Energy.gov [DOE]

    CH2M HG Idaho, LLC, Request for Variance to Title 10 Code of Federal Regulations part 851, "Worker Safety and Health"

  15. Memorandum CH2M WG Idaho, LLC, Request for Variance to Title 10, Code of Federal Regulations Part 851, "Worker Safety and Health Program"

    Energy.gov [DOE]

    Memorandum CH2M WG Idaho, LLC, Request for Variance to Title 10, Code of Federal Regulations Part 851, "Worker Safety and Health Program"

  16. Contract No. DE-AC02-07CH11358 Section J Appendix G Contract Modification No. 0183

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    Section J Appendix G Contract Modification No. 0183 ATTACHMENT J.7 Contract No. DE-AC02-07CH11358 J-G-1 APPENDIX G PURCHASING SYSTEM REQUIREMENTS Applicable to the Operation of AMES Laboratory Contract No. DE-AC02-07CH11358 Section J Appendix G Contract Modification No. 0183 Appendix G Purchasing System Requirements This Appendix and Clause 1.154, "Contractor Purchasing System," sets forth DOE requirements applicable to the Purchasing System established under the Contract for the

  17. CO2 and CH4 Surface Flux, Soil Profile Concentrations, and Stable Isotope Composition, Barrow, Alaska, 2012-2013

    DOE Data Explorer

    Curtis, J.B.; Vaughn, L.S.; Torn, M.S.; Conrad, M.S.; Chafe, O.; Bill, M.

    2015-12-31

    In August-October 2012 and June-October 2013, co-located measurements were made of surface CH4 and CO2 flux, soil pore space concentrations and stable isotope compositions of CH4 and CO2, and subsurface temperature and soil moisture. Measurements were made in intensive study site 1 areas A, B, and C, and from the site 0 and AB transects, from high-centered, flat-centered, and low-centered polygons, from the center, edge, and trough of each polygon.

  18. Low Surface Recombination Velocity in Solution-Grown CH3NH3PbBr3 Perovskite

    Office of Scientific and Technical Information (OSTI)

    Single Crystal (Journal Article) | SciTech Connect Low Surface Recombination Velocity in Solution-Grown CH3NH3PbBr3 Perovskite Single Crystal Citation Details In-Document Search Title: Low Surface Recombination Velocity in Solution-Grown CH3NH3PbBr3 Perovskite Single Crystal Organic-inorganic hybrid perovskites are attracting intense research effort due to their impressive performance in solar cells. While the carrier transport parameters such as mobility and bulk carrier lifetime shows

  19. Site Office Contracting Officer E-mail address Ames Site Office Jackie York Jacquelyn.york@ch.doe.gov

    National Nuclear Security Administration (NNSA)

    Site Office Contracting Officer E-mail address Ames Site Office Jackie York Jacquelyn.york@ch.doe.gov Argonne Site Office Jackie York Jacquelyn.york@ch.doe.gov Brookhaven Site Office Evelyn Landini Jennifer Hartmann elandini@bnl.gov jhartmann@bnl.gov Idaho Site Office Paul Allen allenph@id.doe.gov Kansas City Site Office Hilary Cole Hilary.Cole@nnsa.doe.gov Lawrence Livermore Site Office Jewell Lee Jewell.Lee@nnsa.doe.gov Los Alamos Site Office Barbara Romero Robert M. Poole

  20. Final Report for DOE Project DE-FC07-99CH11010

    SciTech Connect

    Jed Randall; Robert Kean

    2003-10-22

    Department of Energy award number DE-FC07-99CH11010, Enhanced Utilization of Corn Based Biomaterials, supported a technology development program sponsored by Cargill Dow LLC from September 30, 1999 through June 30, 2003. The work involved fundamental scientific studies on poly lactic acid (PLA), a new environmentally benign plastic material from renewable resources. DOE funds supported academic research at the Colorado School of Mines and the National Renewable Energy Laboratory (NREL), and industry cost share was directed towards applied research into new product development utilizing the fundamental information generated by the academic partners. Under the arrangement of the grant, the fundamental information is published so that other companies can utilize it in evaluating the applicability of PLA in their own products. The overall project objective is to increase the utilization of PLA, a renewable resource based plastic, currently produced from fermented corn sugar.

  1. Theoretical study on collision dynamics of H{sup +} + CH{sub 4} at low energies

    SciTech Connect

    Gao, Cong-Zhang; Wang, Jing; Wang, Feng

    2014-02-07

    In this work we make an investigation on collision dynamics of H{sup +} + CH{sub 4} at 30 eV by using time-dependent density functional theory coupled with molecular dynamics approach. All possible reactions are presented based on 9 incident orientations. The calculated fragment intensity is in nice agreement with experimental results. The mechanism of reaction transition for dissociation and proton exchange processes is explained by the intra-molecule energy transfer. However, the energy loss of the proton is in poor agreement with experimental results. The discrepancy is attributed to the mean-field treatment of potential surface. We also studied the dependence on initial velocity of both proton and methane. In addition, we find that for dynamical evolution a different self-interaction correction (SIC) may lead to different results, but with respect to the position of rainbow angle, average-density SIC seems to have reasonable correction.

  2. Quantitative Visualization of ChIP-chip Data by Using Linked Views

    SciTech Connect

    Huang, Min-Yu; Weber, Gunther; Li, Xiao-Yong; Biggin, Mark; Hamann, Bernd

    2010-11-05

    Most analyses of ChIP-chip in vivo DNA binding have focused on qualitative descriptions of whether genomic regions are bound or not. There is increasing evidence, however, that factors bind in a highly overlapping manner to the same genomic regions and that it is quantitative differences in occupancy on these commonly bound regions that are the critical determinants of the different biological specificity of factors. As a result, it is critical to have a tool to facilitate the quantitative visualization of differences between transcription factors and the genomic regions they bind to understand each factor's unique roles in the network. We have developed a framework which combines several visualizations via brushing-and-linking to allow the user to interactively analyze and explore in vivo DNA binding data of multiple transcription factors. We describe these visualization types and also provide a discussion of biological examples in this paper.

  3. ChIP-seq Mapping of Distant-Acting Enhancers and Their In Vivo Activities

    SciTech Connect

    Visel, Axel; Pennacchio, Len A.

    2011-06-01

    The genomic location and function of most distant-acting transcriptional enhancers in the human genome remains unknown We performed ChIP-seq for various transcriptional coactivator proteins (such as p300) directly from different embryonic mouse tissues, identifying thousands of binding sitesTransgenic mouse experiments show that p300 and other co-activator peaks are highly predictive of genomic location AND tissue-specific activity patterns of distant-acting enhancersMost enhancers are active only in one or very few tissues Genomic location of tissue-specific p300 peaks correlates with tissue-specific expression of nearby genes Most binding sites are conserved, but the global degree of conservation varies between tissues

  4. Electronic structure evolution of fullerene on CH3NH3PbI3

    DOE PAGES [OSTI]

    Wang, Chenggong; Wang, Congcong; Liu, Xiaoliang; Kauppi, John; Shao, Yuchuan; Xiao, Zhengguo; Bi, Cheng; Huang, Jinsong; Gao, Yongli

    2015-03-19

    The thickness dependence of fullerene on CH3NH3PbI3 perovskitefilm surface has been investigated by using ultraviolet photoemission spectroscopy (UPS), X-ray photoemission spectroscopy(XPS), and inverse photoemission spectroscopy (IPES). The lowest unoccupied molecular orbital and highest occupied molecular orbital (HOMO) can be observed directly with IPES and UPS. It is observed that the HOMO level in fullerene shifts to lower binding energy. The XPS results show a strong initial shift of core levels to lower binding energy in the perovskite, which indicates that electrons transfer from the perovskitefilm to fullerene molecules. Further deposition of fullerene forms C60 solid, accompanied by the reduction ofmore » the electron transfer. As a result, the strongest electron transfer happened at 1/4 monolayer of fullerene.« less

  5. Detection of class I methanol (CH{sub 3}OH) maser candidates in supernova remnants

    SciTech Connect

    Pihlstrm, Y. M.; Mesler, R. A.; McEwen, B. C.; Sjouwerman, L. O.; Frail, D. A.; Claussen, M. J.

    2014-04-01

    We have used the Karl G. Jansky Very Large Array to search for 36 GHz and 44 GHz methanol (CH{sub 3}OH) lines in a sample of 21 Galactic supernova remnants (SNRs). Mainly the regions of the SNRs with 1720 MHz OH masers were observed. Despite the limited spatial extent covered in our search, methanol masers were detected in both G1.40.1 and W28. Additional masers were found in Sgr A East. More than 40 masers were found in G1.40.1, which we deduce are due to interactions between the SNR and at least two separate molecular clouds. The six masers in W28 are associated with the molecular cloud that is also associated with the OH maser excitation. We discuss the possibility that the methanol maser may be more numerous in SNRs than the OH maser, but harder to detect due to observational constraints.

  6. Near-infrared spectroscopy of CH{sub 2} by frequency modulated diode laser absorption

    SciTech Connect

    Marr, A.J.; Sears, T.J.; Chang, B.

    1998-09-01

    A diode laser spectrometer incorporating a multi-pass Herriott type cell and frequency modulation detection was used to record a previously unaccessed region of the near-infrared singlet{l_arrow}singlet absorption spectrum of methylene between 10thinsp000 cm{sup {minus}1} and 10thinsp600 cm{sup {minus}1}. With this spectrometer, signal-to-noise ratios close to the quantum noise limit have been attained. Identification of rovibronic transitions to five previously unobserved levels, K=1 {tilde a}(0,9,0), K=2thinsp{tilde b}(0,1,0), K=2thinsp{tilde a}(1,6,0), K=3thinsp{tilde b}(0,1,0) and K=3thinsp{tilde a}(0,10,0), was made. Despite the fact that the present spectra access levels within approximately 1300 cm{sup {minus}1} of the barrier to linearity, the spectrum is dense and perturbed, characteristics in common with spectra recorded in many previous studies at shorter wavelengths. Recent spectroscopic observations of halomethylenes [J. Mol. Spectrosc. {bold 188}, 68 (1998)] had suggested that the CH{sub 2} spectrum might become simpler at longer wavelengths, but this was not evident in the observed spectra. The mixed nature of the singlet states is evidenced by the assignment of rovibronic transitions to levels containing primarily {tilde a}thinsp{sup 1}A{sub 1} state character. The new measurements provide a stringent test for modern theoretical models for CH{sub 2} and will enable refinement of the electronic potential surfaces. {copyright} {ital 1998 American Institute of Physics.}

  7. Lawrence Co. Scioto Co. Greenup Co. Jack

    Gasoline and Diesel Fuel Update

    CON LEY MEAD E BR ANCH PET ERSBURG VAN LEAR SILVERTON RPD-SC IOT O-2 HURR ICANE CR EEK OT TER ROAD BRANCH SH AVERS FORK HAGERH ILL KEEL FORK CRAGER FORK CON TRARY BRAN CH HUNN ...

  8. Rhodium-Catalyzed C-C Bond Formation via Heteroatom-Directed C-H Bond Activation

    SciTech Connect

    Colby, Denise; Bergman, Robert; Ellman, Jonathan

    2010-05-13

    Once considered the 'holy grail' of organometallic chemistry, synthetically useful reactions employing C-H bond activation have increasingly been developed and applied to natural product and drug synthesis over the past decade. The ubiquity and relative low cost of hydrocarbons makes C-H bond functionalization an attractive alternative to classical C-C bond forming reactions such as cross-coupling, which require organohalides and organometallic reagents. In addition to providing an atom economical alternative to standard cross - coupling strategies, C-H bond functionalization also reduces the production of toxic by-products, thereby contributing to the growing field of reactions with decreased environmental impact. In the area of C-C bond forming reactions that proceed via a C-H activation mechanism, rhodium catalysts stand out for their functional group tolerance and wide range of synthetic utility. Over the course of the last decade, many Rh-catalyzed methods for heteroatom-directed C-H bond functionalization have been reported and will be the focus of this review. Material appearing in the literature prior to 2001 has been reviewed previously and will only be introduced as background when necessary. The synthesis of complex molecules from relatively simple precursors has long been a goal for many organic chemists. The ability to selectively functionalize a molecule with minimal pre-activation can streamline syntheses and expand the opportunities to explore the utility of complex molecules in areas ranging from the pharmaceutical industry to materials science. Indeed, the issue of selectivity is paramount in the development of all C-H bond functionalization methods. Several groups have developed elegant approaches towards achieving selectivity in molecules that possess many sterically and electronically similar C-H bonds. Many of these approaches are discussed in detail in the accompanying articles in this special issue of Chemical Reviews. One approach that has

  9. Accurate quantum dynamics calculations of vibrational spectrum of dideuteromethane CH{sub 2}D{sub 2}

    SciTech Connect

    Yu, Hua-Gen

    2015-05-21

    We report a rigorous variational study of the infrared (IR) vibrational spectra of both CH{sub 2}D{sub 2} and {sup 13}CH{sub 2}D{sub 2} isotopomers using an exact molecular Hamiltonian. Calculations are carried out using a recently developed multi-layer Lanczos algorithm based on the accurate refined Wang and Carrington potential energy surface of methane and the low-order truncated ab initio dipole moment surface of Yurchenko et al. [J. Mol. Spectrosc. 291, 69 (2013)]. All well converged 357 vibrational energy levels up to 6100 cm{sup ?1} of CH{sub 2}D{sub 2} are obtained, together with a comparison to previous calculations and 91 experimental bands available. The calculated frequencies are in excellent agreement with the experimental results and give a root-mean-square error of 0.67?cm{sup ?1}. In particular, we also compute the transition intensities from the vibrational ground state for both isotopomers. Based on the theoretical results, 20 experimental bands are suggested to be re-assigned. Surprisingly, an anomalous C isotopic effect is discovered in the n?{sub 5} modes of CH{sub 2}D{sub 2}. The predicted IR spectra provide useful information for understanding those unknown bands.

  10. Physical and chemical properties of dust produced in a N{sub 2}-CH{sub 4} RF plasma discharge

    SciTech Connect

    Ouni, F.; Alcouffe, G.; Szopa, C.; Carrasco, N.; Cernogora, G.; Adande, G.; Thissen, R.; Quirico, E.; Brissaud, O.; Schmitz-Afonso, I.; Laprevote, O.

    2008-09-07

    Titan's atmospheric chemistry is simulated using a Capacitively Coupled Plasma discharge produced in a N{sub 2}-CH{sub 4} mixture. The produced solid particles are analysed ex-situ. Chemical properties are deduced from: elemental composition, FTIR and LTQ-Orbitrap mass spectrometer. Optical properties are deduced from reflectivity in visible and IR range.

  11. Communication: Spectroscopic characterization of an alkyl substituted Criegee intermediate syn-CH{sub 3}CHOO through pure rotational transitions

    SciTech Connect

    Nakajima, Masakazu; Endo, Yasuki

    2014-01-07

    An alkyl-substituted Criegee intermediate syn-CH{sub 3}CHOO was detected in the gas phase through Fourier-transform microwave spectroscopy. Observed pure rotational transitions show a small splitting corresponding to the A/E components due to the threefold methyl internal rotation. The rotational constants and the barrier height of the hindered methyl rotation were determined to be A = 17?586.5295(15) MHz, B = 7133.4799(41) MHz, C = 5229.1704(40) MHz, and V{sub 3} = 837.1(17)cm{sup ?1}. High-level ab initio calculations which reproduce the experimentally determined values well indicate that the in-plane CH bond in the methyl moiety is trans to the CO bond, and other two protons are directed to the terminal oxygen atom for the most stable structure of syn-CH{sub 3}CHOO. The torsional barrier of the methyl top is fairly large in syn-CH{sub 3}CHOO, implying a significant interaction between the terminal oxygen and the protons of the methyl moiety, which may be responsible for the high production yields of the OH radical from energized alkyl-substituted Criegee intermediates.

  12. Rate constant and mechanism of the reaction between Cl and CH{sub 3}OCl at 295 K

    SciTech Connect

    Carl, S.A.; Roehl, C.M.; Moortgat, G.K.; Crowley, J.N.; Mueller, C.M.

    1996-10-24

    The reaction between Cl atoms and CH{sub 3}OCl was investigated at 295 K in both air and N{sub 2} bath gases at total pressures between 100 and 850 Torr by the relative rate method. The rate constant of the title reaction was found to be a factor 1.07{+-}0.02 (2{sigma}) greater than that of Cl+C{sub 2}H{sub 6} at room temperature and independent of pressure between 100 and 750 Torr. This yields a rate constant of (6.1{+-}0.6)x10{sup -11} cm{sup 3} molecule{sup -1} s{sup -1}. The products of the reaction were detected by FTIR and UV absorption spectroscopy. Analysis of Cl{sub 2} and HCl products allowed branching ratios of 0.2{+-}0.1 for HCl+CH{sub 2}OCl formation and 0.8{+-}0.2 for Cl{sub 2}+CH{sub 3}O formation to be determined. The high rate constant implies that reaction with Cl atoms is an important loss process for CH{sub 3}OCl in the polar stratosphere. 37 refs., 9 figs., 3 tabs.

  13. Letter from DOE to URS | CH2M Oak Ridge LLC on Award Fee Determination for April to September 2015

    Energy.gov [DOE]

    DOE's Oak Ridge Environmental Management Office told URS | CH2M Oak Ridge LLC (UCOR) in a letter that it had completed its evaluation of the company's performance for the award fee period of April to September 2015 and determined that UCOR earned a fee of more than $4.4 million for the period.

  14. DISCOVERY OF THE METHOXY RADICAL, CH{sub 3}O, TOWARD B1: DUST GRAIN AND GAS-PHASE CHEMISTRY IN COLD DARK CLOUDS

    SciTech Connect

    Cernicharo, J.; Jimenez-Escobar, A.; Munoz Caro, G. M.; Marcelino, N.; Roueff, E.; Gerin, M.

    2012-11-10

    We report on the discovery of the methoxy radical (CH{sub 3}O) toward the cold and dense core B1-b based on the observation, with the IRAM 30 m radio telescope, of several lines at 3 and 2 mm wavelengths. Besides this new molecular species we also report on the detection of many lines arising from methyl mercaptan (CH{sub 3}SH), formic acid (HCOOH), propynal (HCCCHO), acetaldehyde (CH{sub 3}CHO), dimethyl ether (CH{sub 3}OCH{sub 3}), methyl formate (CH{sub 3}OCOH), and the formyl radical (HCO). The column density of all these species is {approx_equal}10{sup 12} cm{sup -2}, corresponding to abundances of {approx_equal}10{sup -11}. The similarity in abundances for all these species strongly suggest that they are formed on the surface of dust grains and ejected to the gas phase through non-thermal desorption processes, most likely cosmic rays or secondary photons. Nevertheless, laboratory experiments indicate that the CH{sub 3}O isomer released to the gas phase is CH{sub 2}OH rather than the methoxy one. Possible gas-phase formation routes to CH{sub 3}O from OH and methanol are discussed.

  15. Effects of CO addition on the characteristics of laminar premixed CH{sub 4}/air opposed-jet flames

    SciTech Connect

    Wu, C.-Y. [Advanced Engine Research Center, Kao Yuan University, Kaohsiung County, 821 (China); Chao, Y.-C.; Chen, C.-P.; Ho, C.-T. [Department of Aeronautics and Astronautics, National Cheng Kung University, Tainan, 701 (China); Cheng, T.S. [Department of Mechanical Engineering, Chung Hua University, Hsinchu, 300 (China)

    2009-02-15

    The effects of CO addition on the characteristics of premixed CH{sub 4}/air opposed-jet flames are investigated experimentally and numerically. Experimental measurements and numerical simulations of the flame front position, temperature, and velocity are performed in stoichiometric CH{sub 4}/CO/air opposed-jet flames with various CO contents in the fuel. Thermocouple is used for the determination of flame temperature, velocity measurement is made using particle image velocimetry (PIV), and the flame front position is measured by direct photograph as well as with laser-induced predissociative fluorescence (LIPF) of OH imaging techniques. The laminar burning velocity is calculated using the PREMIX code of Chemkin collection 3.5. The flame structures of the premixed stoichiometric CH{sub 4}/CO/air opposed-jet flames are simulated using the OPPDIF package with GRI-Mech 3.0 chemical kinetic mechanisms and detailed transport properties. The measured flame front position, temperature, and velocity of the stoichiometric CH{sub 4}/CO/air flames are closely predicted by the numerical calculations. Detailed analysis of the calculated chemical kinetic structures reveals that as the CO content in the fuel is increased from 0% to 80%, CO oxidation (R99) increases significantly and contributes to a significant level of heat-release rate. It is also shown that the laminar burning velocity reaches a maximum value (57.5 cm/s) at the condition of 80% of CO in the fuel. Based on the results of sensitivity analysis, the chemistry of CO consumption shifts to the dry oxidation kinetics when CO content is further increased over 80%. Comparison between the results of computed laminar burning velocity, flame temperature, CO consumption rate, and sensitivity analysis reveals that the effect of CO addition on the laminar burning velocity of the stoichiometric CH{sub 4}/CO/air flames is due mostly to the transition of the dominant chemical kinetic steps. (author)

  16. Evaluating Impacts of CO2 and CH4 Gas Intrusion into an Unconsolidated Aquifer: Fate of As and Cd

    SciTech Connect

    Lawter, Amanda R.; Qafoku, Nikolla; Shao, Hongbo; Bacon, Diana H.; Brown, Christopher F.

    2015-07-10

    Abstract The sequestration of carbon dioxide (CO2) in deep underground reservoirs has been identified as an important strategy to decrease atmospheric CO2 levels and mitigate global warming, but potential risks on overlying aquifers currently lack a complete evaluation. In addition to CO2, other gases such as methane (CH4) may be present in storage reservoirs. This paper explores for the first time the combined effect of leaking CO2 and CH4 gasses on the fate of major, minor and trace elements in an aquifer overlying a potential sequestration site. Emphasis is placed on the fate of arsenic (As) and cadmium (Cd) released from the sediments or present as soluble constituents in the leaking brine. Results from macroscopic batch and column experiments show that the presence of CH4 (at a concentration of 1 % in the mixture CO2/CH4) does not have a significant effect on solution pH or the concentrations of most major elements (such as Ca, Ba, and Mg). However, the concentrations of Mn, Mo, Si and Na are inconsistently affected by the presence of CH4 (i.e., in at least one sediment tested in this study). Cd is not released from the sediments and spiked Cd is mostly removed from the aqueous phase most likely via adsorption. The fate of sediment associated As [mainly sorbed arsenite or As(III) in minerals] and spiked As [i.e., As5+] is complex. Possible mechanisms that control the As behavior in this system are discussed in this paper. Results are significant for CO2 sequestration risk evaluation and site selection and demonstrate the importance of evaluating reservoir brine and gas stream composition during site selection to ensure the safest site is being chosen.

  17. Direct Functionalization of Nitrogen Heterocycles via Rh-Catalyzed C-H Bond Activation

    SciTech Connect

    Lewis, Jared; Bergman, Robert; Ellman, Jonathan

    2008-02-04

    Nitrogen heterocycles are present in many compounds of enormous practical importance, ranging from pharmaceutical agents and biological probes to electroactive materials. Direct funtionalization of nitrogen heterocycles through C-H bond activation constitutes a powerful means of regioselectively introducing a variety of substituents with diverse functional groups onto the heterocycle scaffold. Working together, our two groups have developed a family of Rh-catalyzed heterocycle alkylation and arylation reactions that are notable for their high level of functional-group compatibility. This Account describes their work in this area, emphasizing the relevant mechanistic insights that enabled synthetic advances and distinguished the resulting transformations from other methods. They initially discovered an intramolecular Rh-catalyzed C-2-alkylation of azoles by alkenyl groups. That reaction provided access to a number of di-, tri-, and tetracyclic azole derivatives. They then developed conditions that exploited microwave heating to expedite these reactions. While investigating the mechanism of this transformation, they discovered that a novel substrate-derived Rh-N-heterocyclic carbene (NHC) complex was involved as an intermediate. They then synthesized analogous Rh-NHC complexes directly by treating precursors to the intermediate [RhCl(PCy{sub 3}){sub 2}] with N-methylbenzimidazole, 3-methyl-3,4-dihydroquinazolein, and 1-methyl-1,4-benzodiazepine-2-one. Extensive kinetic analysis and DFT calculations supported a mechanism for carbene formation in which the catalytically active RhCl(PCy{sub 3}){sub 2} fragment coordinates to the heterocycle before intramolecular activation of the C-H bond occurs. The resulting Rh-H intermediate ultimately tautomerizes to the observed carbene complex. With this mechanistic information and the discovery that acid co-catalysts accelerate the alkylation, they developed conditions that efficiently and intermolecularly alkylate a variety of

  18. Identification of genes directly regulated by the oncogene ZNF217using ChIP-chip assays.

    SciTech Connect

    Krig, S.R.; Jin, V.X.; Bieda, M.C.; O'geen, H.; Yaswen, P.; Green, R.; Farnham, P.J.

    2007-01-26

    It has been proposed that ZNF217, which is amplified at 20q13 in various tumors, plays a key role during neoplastic transformation. ZNF217 has been purified in complexes that contain repressor proteins such as CtBP2, suggesting that it acts as a transcriptional repressor. However, the function of ZNF217 has not been well characterized due to a lack of known target genes. Using a global chromatin immunoprecipitation (ChIP)-chip approach, we identified thousands of ZNF217 binding sites in three tumor cell lines (MCF7, SW480, and Ntera2). Further analysis of ZNF217 in Ntera2 cells showed that many promoters are bound by ZNF217 and CtBP2 and that a subset of these promoters are activated upon removal of ZNF217. Thus, our in vivo studies corroborate the in vitro biochemical analyses of ZNF217-containing complexes and support the hypothesis that ZNF217 functions as a transcriptional repressor. Gene ontology analysis showed that ZNF217 targets in Ntera2 cells are involved in organ development, suggesting that one function of ZNF217 may be to repress differentiation. Accordingly we show that differentiation of Ntera2 cells with retinoic acid led to down-regulation of ZNF217. Our identification of thousands of ZNF217 target genes will enable further studies of the consequences of aberrant expression of ZNF217 during neoplastic transformation.

  19. Mode specific dynamics of the H{sub 2} + CH{sub 3} → H + CH{sub 4} reaction studied using quasi-classical trajectory and eight-dimensional quantum dynamics methods

    SciTech Connect

    Wang, Yan; Li, Jun; Guo, Hua E-mail: hguo@unm.edu; Chen, Liuyang; Yang, Minghui E-mail: hguo@unm.edu; Lu, Yunpeng

    2015-10-21

    An eight-dimensional quantum dynamical model is proposed and applied to the title reaction. The reaction probabilities and integral cross sections have been determined for both the ground and excited vibrational states of the two reactants. The results indicate that the H{sub 2} stretching and CH{sub 3} umbrella modes, along with the translational energy, strongly promote the reactivity, while the CH{sub 3} symmetric stretching mode has a negligible effect. The observed mode specificity is confirmed by full-dimensional quasi-classical trajectory calculations. The mode specificity can be interpreted by the recently proposed sudden vector projection model, which attributes the enhancement effects of the reactant modes to their strong couplings with the reaction coordinate at the transition state.

  20. Polyacetylene, (CH){sub x}, as an Emerging Material for Solar Cell Applications. Final Technical Report, March 19, 1979 - March 18, 1980

    DOE R&D Accomplishments

    Heeger, A. J.; MacDiarmid, A. G.

    1980-06-05

    Despite great theoretical and technological interest in polyacetylene, (CH){sub x}, the basic features of its band structure have not been unambiguously resolved. Since photoconductivity and optical absorption data have frequently been used to infer information on the band structure of semiconductors, such measurements were carried out on (CH){sub x}. The main results of an extensive study of the photoconductivity (..delta.. sigma{sub ph}) and absorption coefficient (..cap alpha..) in (CH){sub x} are presented. The absence of photoconductivity in cis-(CH){sub x}, despite the similarity in optical properties indicates that ..delta.. sigma/sub ph/ in trans-(CH){sub x} is induced by isomerization. It is found that isomerization generates states deep inside the gap that act as safe traps for minority carriers and thereby enhance the photoconductivity. Compensation of trans-(CH){sub x} with ammonia appears to decrease the number of safe traps, whereas acceptor doping increases their number. Thus, chemical doping can be used to control the photoconductive response. The energy of safe traps inside the gap is independent of the process used to generate them; indicative of an intrinsic localized defect level in trans-(CH){sub x}. A coherent picture based on the soliton model can explain these results, including the safe trapping.

  1. A Pyrrolyl-based Triazolophane: A Macrocyclic Receptor With CH and NH Donor Groups That Exhibits a Preference for Pyrophosphate Anions

    SciTech Connect

    Sessler, Jonathan L.; Cia, Jiajia; Gong, Han-Yuan; Yang, Xiauping; Arambula, Jonathan F.; Hay, Benjamin

    2010-01-01

    A pyrrolyl-based triazolophane, incorporating CH and NH donor groups, acts as a receptor for the pyrophosphate anion in chloroform solution. It shows selectivity for this trianion, followed by HSO{sub 4}{sup -} > H{sub 2}PO{sub 4}{sup -} > Cl{sup -} > Br{sup -} (all as the corresponding tetrabutylammonium salts), with NH-anion interactions being more important than CH-anion interactions. In the solid state, the receptor binds the pyrophosphate anion in a clip-like slot via NH and CH hydrogen bonds.

  2. Direct detection of pyridine formation by the reaction of CH (CD) with pyrrole: a ring expansion reaction

    SciTech Connect

    Soorkia, Satchin; Taatjes, Craig A.; Osborn, David L.; Selby, Talitha M.; Trevitt, Adam J.; Wilson, Kevin R.; Leone, Stephen R.

    2010-03-16

    The reaction of the ground state methylidyne radical CH (X2Pi) with pyrrole (C4H5N) has been studied in a slow flow tube reactor using Multiplexed Photoionization Mass Spectrometry coupled to quasi-continuous tunable VUV synchrotron radiation at room temperature (295 K) and 90 oC (363 K), at 4 Torr (533 Pa). Laser photolysis of bromoform (CHBr3) at 248 nm (KrF excimer laser) is used to produce CH radicals that are free to react with pyrrole molecules in the gaseous mixture. A signal at m/z = 79 (C5H5N) is identified as the product of the reaction and resolved from 79Br atoms, and the result is consistent with CH addition to pyrrole followed by Helimination. The Photoionization Efficiency curve unambiguously identifies m/z = 79 as pyridine. With deuterated methylidyne radicals (CD), the product mass peak is shifted by +1 mass unit, consistent with the formation of C5H4DN and identified as deuterated pyridine (dpyridine). Within detection limits, there is no evidence that the addition intermediate complex undergoes hydrogen scrambling. The results are consistent with a reaction mechanism that proceeds via the direct CH (CD) cycloaddition or insertion into the five-member pyrrole ring, giving rise to ring expansion, followed by H atom elimination from the nitrogen atom in the intermediate to form the resonance stabilized pyridine (d-pyridine) molecule. Implications to interstellar chemistry and planetary atmospheres, in particular Titan, as well as in gas-phase combustion processes, are discussed.

  3. Airborne CH2O measurements over the North Atlantic during the 1997 NARE campaign: Instrument comparisons and distributions

    DOE PAGES [OSTI]

    Fried, Alan; Lee, Yin -Nan; Frost, Greg; Wert, Bryan; Henry, Bruce; Drummond, James R.; Hubler, Gerd; Jobson, Tom

    2002-02-27

    Here, formaldehyde measurements from two independent instruments are compared with photochemical box model calculations. The measurements were made on the NOAA P-3 aircraft as part of the 1997 North Atlantic Regional Experiment (NARE 1997). After examining the possible reasons for the model-measurement discrepancy, we conclude that there are probably one or more additional unknown sources of CH2O in the North Atlantic troposphere.

  4. Structure, phase transitions, and isotope effects in [(CH3)4N]2PuCl6

    SciTech Connect

    Wilson, Richard E.

    2015-11-02

    The single crystal X-ray diffraction structure of [(CH3)4N]2PuCl6 is presented for the first time, resolving long standing confusion and speculation regarding the structure of this compound in the literature. A temperature dependent study of this compound shows that the structure of [(CH3)4N]2PuCl6 undergoes no fewer than two phase transitions between 100 and 360 K. The phase of [(CH3)4N]2PuCl6 at room temperature is Fd-3c a = 26.012(3) Å. At 360 K, the structure is in space group Fm-3m with a = 13.088(1) Å. The plutonium octahedra and tetramethylammonium cations undergo a rotative displacement and the degree of rotation varies with temperature, giving rise to the phase transition from Fm-3m to Fd-3c as the crystal is cooled. Synthesis and structural studies of the deuterated salt [(CD3)4N]2PuCl6 suggest that there is an isotopic effect associated with this phase transition as revealed by a changing transition temperature in the deuterated versus protonated compound indicating that the donor-acceptor interactions between the tetramethylammonium cations and the hexachloroplutonate anions are driving the phase transformation.

  5. Solid-state organometallic chemistry of molecular metal oxide clusters: C-H activation by an iridium polyoxometalate

    SciTech Connect

    Siedle, A.R.; Newmark, R.A.; Brown-Wensley, K.A.; Skarjune, R.P.; Haddad, L.C.; Hodgson, K.O.; Roe, A.L.

    1988-09-01

    Hydrogenation of ((Ph/sub 3/P)/sub 2/Ir(C/sub 8/H/sub 12/))/sub 3/PW/sub 12/O/sub 40/ in a solid-gas reaction produces ((Ph/sub 3/P)/sub 2/IrH/sub 2/)/sub 3/PW/sub 12/O/sub 40/. EXAFS studies of the molybdenum analogue indicate the presence of isolated, lattice-stabilized (Ph/sub 3/P)/sub 2/IrH/sub 2//sup +/ ions. H/emdash/D exchange with CD/sub 3/CH/double bond/CH/sub 2/ occurs via a reversible C/emdash/H addition reaction that also produces ((Ph/sub 3/P)/sub 2/IrH(/pi/-C/sub 3/H/sub 5/))/sub 3/PW/sub 12/O/sub 40/ and scrambles the C/sub 3/D/sub 3/H/sub 3/ deuterium label. Exchange with toluene is selective and involves activation of aromatic but not aliphatic C-H bonds. Slow exchange with c-C/sub 6/D/sub 12/ also occurs.

  6. Biogeochemical modeling of CO2 and CH4 production in anoxic Arctic soil microcosms

    DOE PAGES [OSTI]

    Tang, Guoping; Zheng, Jianqiu; Xu, Xiaofeng; Yang, Ziming; Graham, David E.; Gu, Baohua; Painter, Scott L.; Thornton, Peter E.

    2016-09-12

    Soil organic carbon turnover to CO2 and CH4 is sensitive to soil redox potential and pH conditions. But, land surface models do not consider redox and pH in the aqueous phase explicitly, thereby limiting their use for making predictions in anoxic environments. Using recent data from incubations of Arctic soils, we extend the Community Land Model with coupled carbon and nitrogen (CLM-CN) decomposition cascade to include simple organic substrate turnover, fermentation, Fe(III) reduction, and methanogenesis reactions, and assess the efficacy of various temperature and pH response functions. Incorporating the Windermere Humic Aqueous Model (WHAM) enables us to approximately describe themore » observed pH evolution without additional parameterization. Though Fe(III) reduction is normally assumed to compete with methanogenesis, the model predicts that Fe(III) reduction raises the pH from acidic to neutral, thereby reducing environmental stress to methanogens and accelerating methane production when substrates are not limiting. Furthermore, the equilibrium speciation predicts a substantial increase in CO2 solubility as pH increases, and taking into account CO2 adsorption to surface sites of metal oxides further decreases the predicted headspace gas-phase fraction at low pH. Without adequate representation of these speciation reactions, as well as the impacts of pH, temperature, and pressure, the CO2 production from closed microcosms can be substantially underestimated based on headspace CO2 measurements only. Our results demonstrate the efficacy of geochemical models for simulating soil biogeochemistry and provide predictive understanding and mechanistic representations that can be incorporated into land surface models to improve climate predictions.« less

  7. Subtask 1.22 - Microbial Cycling of CH4, CO2, and N2O in a Wetlands Environment

    SciTech Connect

    Dingyi Ye; Bethany Kurz; Marc Kurz

    2008-12-31

    Soil microbial metabolic activities play an important role in determining CO{sub 2}, CH{sub 4}, and N{sub 2}O fluxes from terrestrial ecosystems. To verify and evaluate CO{sub 2} sequestration potential by wetland restoration in the Prairie Pothole Region (PPR), as well as to address concern over restoration effects on CH{sub 4} and N{sub 2}O emissions, laboratory and in situ microcosm studies on microbial cycling of CO{sub 2}, CH{sub 4}, and N{sub 2}O were initiated. In addition, to evaluate the feasibility of the use of remote sensing to detect soil gas flux from wetlands, a remote-sensing investigation was also conducted. Results of the laboratory microcosm study unequivocally proved that restoration of PPR wetlands does sequester atmospheric CO{sub 2}. Under the experimental conditions, the simulated restored wetlands did not promote neither N{sub 2}O nor CH{sub 4} fluxes. Application of ammonia enhanced both N{sub 2}O and CH{sub 4} emission, indicating that restoration of PPR wetlands may reduce both N{sub 2}O and CH{sub 4} emission by cutting N-fertilizer input. Enhancement of CO{sub 2} emission by the N-fertilizer was observed, and this observation revealed an overlooked fact that application of N-fertilizer may potentially increase CO{sub 2} emission. In addition, the CO{sub 2} results also demonstrate that wetland restoration sequesters atmospheric carbon not only by turning soil conditions from aerobic to anoxic, but also by cutting N-fertilizer input that may enhance CO{sub 2} flux. The investigation on microbial community structure and population dynamics showed that under the experimental conditions restoration of the PPR wetlands would not dramatically increase population sizes of those microorganisms that produce N{sub 2}O and CH{sub 4}. Results of the in situ study proved that restoration of the PPR wetland significantly reduced CO{sub 2} flux. Ammonia enhanced the greenhouse gas emission and linearly correlated to the CO{sub 2} flux within the

  8. A Highly Reactive Mononuclear Non-Heme Manganese(IV)-Oxo Complex That Can Activate the Strong C-H Bonds of Alkanes

    SciTech Connect

    Wu, Xiujuan; Seo, Mi Sook; Davis, Katherine M; Lee, Yong-Min; Chen, Junying; Cho, Kyung-Bin; Pushkar, Yulia N; Nam, Wonwoo

    2012-03-15

    A mononuclear non-heme manganese(IV)-oxo complex has been synthesized and characterized using various spectroscopic methods. The Mn(IV)-oxo complex shows high reactivity in oxidation reactions, such as C-H bond activation, oxidations of olefins, alcohols, sulfides, and aromatic compounds, and N-dealkylation. In C-H bond activation, the Mn(IV)-oxo complex can activate C-H bonds as strong as those in cyclohexane. It is proposed that C-H bond activation by the non-heme Mn(IV)-oxo complex does not occur via an oxygen-rebound mechanism. The electrophilic character of the non-heme Mn(IV)-oxo complex is demonstrated by a large negative ρ value of ~4.4 in the oxidation of para-substituted thioanisoles.

  9. Voluntary Protection Program Onsite Review, CH2M HILL B&W West Valley LLC, West Valley Demonstration Project – October 2013

    Energy.gov [DOE]

    Evaluation to determine whether CH2M HILL B&W West Valley LLC, West Valley Demonstration Project is performing at a level deserving DOE-VPP Star recognition.

  10. U.S. Department of Energy, Richland Operations Office And CH2M HILL Plateau Remediation Company Partnering Charter For Partnering Performance Agreement

    Energy.gov [DOE]

    The U.S. Department of Energy (DOE) Richland Operations Office (DOE-RL) and CH2M HILL Plateau Remediation Company (CHPRC) are committed to continuous improvement and will utilize principles of the...

  11. Critical interpretation of CH and OH stretching regions for infrared spectra of methanol clusters (CH{sub 3}OH){sub n} (n = 25) using self-consistent-charge density functional tight-binding molecular dynamics simulations

    SciTech Connect

    Nishimura, Yoshifumi; Lee, Yuan-Pern; Irle, Stephan; Witek, Henryk A.

    2014-09-07

    Vibrational infrared (IR) spectra of gas-phase OH???O methanol clusters up to pentamer are simulated using self-consistent-charge density functional tight-binding method using two distinct methodologies: standard normal mode analysis and Fourier transform of the dipole time-correlation function. The twofold simulations aim at the direct critical assignment of the CH stretching region of the recently recorded experimental spectra [H.-L. Han, C. Camacho, H. A. Witek, and Y.-P. Lee, J. Chem. Phys. 134, 144309 (2011)]. Both approaches confirm the previous assignment (ibid.) of the CH stretching bands based on the B3LYP/ANO1 harmonic frequencies, showing that ?{sub 3}, ?{sub 9}, and ?{sub 2} CH stretching modes of the proton-accepting (PA) and proton-donating (PD) methanol monomers experience only small splittings upon the cluster formation. This finding is in sharp discord with the assignment based on anharmonic B3LYP/VPT2/ANO1 vibrational frequencies (ibid.), suggesting that some procedural faults, likely related to the breakdown of the perturbational vibrational treatment, led the anharmonic calculations astray. The IR spectra based on the Fourier transform of the dipole time-correlation function include new, previously unaccounted for physical factors such as non-zero temperature of the system and large amplitude motions of the clusters. The elevation of temperature results in a considerable non-homogeneous broadening of the observed IR signals, while the presence of large-amplitude motions (methyl group rotations and PA-PD flipping), somewhat surprisingly, does not introduce any new features in the spectrum.

  12. Final LDRD report : development of sample preparation methods for ChIPMA-based imaging mass spectrometry of tissue samples.

    SciTech Connect

    Maharrey, Sean P.; Highley, Aaron M.; Behrens, Richard, Jr.; Wiese-Smith, Deneille

    2007-12-01

    The objective of this short-term LDRD project was to acquire the tools needed to use our chemical imaging precision mass analyzer (ChIPMA) instrument to analyze tissue samples. This effort was an outgrowth of discussions with oncologists on the need to find the cellular origin of signals in mass spectra of serum samples, which provide biomarkers for ovarian cancer. The ultimate goal would be to collect chemical images of biopsy samples allowing the chemical images of diseased and nondiseased sections of a sample to be compared. The equipment needed to prepare tissue samples have been acquired and built. This equipment includes an cyro-ultramicrotome for preparing thin sections of samples and a coating unit. The coating unit uses an electrospray system to deposit small droplets of a UV-photo absorbing compound on the surface of the tissue samples. Both units are operational. The tissue sample must be coated with the organic compound to enable matrix assisted laser desorption/ionization (MALDI) and matrix enhanced secondary ion mass spectrometry (ME-SIMS) measurements with the ChIPMA instrument Initial plans to test the sample preparation using human tissue samples required development of administrative procedures beyond the scope of this LDRD. Hence, it was decided to make two types of measurements: (1) Testing the spatial resolution of ME-SIMS by preparing a substrate coated with a mixture of an organic matrix and a bio standard and etching a defined pattern in the coating using a liquid metal ion beam, and (2) preparing and imaging C. elegans worms. Difficulties arose in sectioning the C. elegans for analysis and funds and time to overcome these difficulties were not available in this project. The facilities are now available for preparing biological samples for analysis with the ChIPMA instrument. Some further investment of time and resources in sample preparation should make this a useful tool for chemical imaging applications.

  13. Study of x-ray radiant characteristics and thermal radiation redistribution in CH foam filling cylindrical cavities

    SciTech Connect

    Shang Wanli; Zhu Tuo; Song Tianming; Zhang Wenhai; Zhao Yang; Xiong Gang; Zhang Jiyan; Yang Jiamin

    2011-04-15

    Experiments are presented, which demonstrate the properties of x-ray radiation and redistribution of radiant thermal energy in high Z cylindrical cavities filled with low Z CH foam. Time integrated spectra records were obtained by a calibrated space-resolved transmission grating spectrometer. The x-ray radiation became weaker in intensity and was changed to a softer near-Planckian radiation light after a 1500 {mu}m long transport in the foam filling cavity. The experimental redistribution of the radiant thermal energy was plotted and compared to the numerical results of a simplified model. Good agreements have been achieved.

  14. Survey of the high resolution infrared spectrum of methane ({sup 12}CH{sub 4} and {sup 13}CH{sub 4}): Partial vibrational assignment extended towards 12000 cm{sup ?1}

    SciTech Connect

    Ulenikov, O. N.; Bekhtereva, E. S.; Albert, S.; Bauerecker, S.; Niederer, H. M.; Quack, M.

    2014-12-21

    We have recorded the complete infrared spectrum of methane {sup 12}CH{sub 4} and its second most abundant isotopomer {sup 13}CH{sub 4} extending from the fundamental range starting at 1000 cm{sup ?1} up to the overtone region near 12000 cm{sup ?1} in the near infrared at the limit towards the visible range, at temperatures of about 80 K and also at 298 K with Doppler limited resolution in the gas phase by means of interferometric Fourier transform spectroscopy using the Bruker IFS 125 HR prototype (ZP 2001) of the ETH Zrich laboratory. This provides the so far most complete data set on methane spectra in this range at high resolution. In the present work we report in particular those results, where the partial rovibrational analysis allows for the direct assignment of pure (J = 0) vibrational levels including high excitation. These results substantially extend the accurate knowledge of vibrational band centers to higher energies and provide a benchmark for both the comparison with theoretical results on the one hand and atmospheric spectroscopy on the other hand. We also present a simple effective Hamiltonian analysis, which is discussed in terms of vibrational level assignments and {sup 13}C isotope effects.

  15. Full-dimensional and reduced-dimensional calculations of initial state-selected reaction probabilities studying the H + CH{sub 4} ? H{sub 2} + CH{sub 3} reaction on a neural network PES

    SciTech Connect

    Welsch, Ralph Manthe, Uwe

    2015-02-14

    Initial state-selected reaction probabilities of the H + CH{sub 4} ? H{sub 2} + CH{sub 3} reaction are calculated in full and reduced dimensionality on a recent neural network potential [X. Xu, J. Chen, and D. H. Zhang, Chin. J. Chem. Phys. 27, 373 (2014)]. The quantum dynamics calculation employs the quantum transition state concept and the multi-layer multi-configurational time-dependent Hartree approach and rigorously studies the reaction for vanishing total angular momentum (J = 0). The calculations investigate the accuracy of the neutral network potential and study the effect resulting from a reduced-dimensional treatment. Very good agreement is found between the present results obtained on the neural network potential and previous results obtained on a Shepard interpolated potential energy surface. The reduced-dimensional calculations only consider motion in eight degrees of freedom and retain the C{sub 3v} symmetry of the methyl fragment. Considering reaction starting from the vibrational ground state of methane, the reaction probabilities calculated in reduced dimensionality are moderately shifted in energy compared to the full-dimensional ones but otherwise agree rather well. Similar agreement is also found if reaction probabilities averaged over similar types of vibrational excitation of the methane reactant are considered. In contrast, significant differences between reduced and full-dimensional results are found for reaction probabilities starting specifically from symmetric stretching, asymmetric (f{sub 2}-symmetric) stretching, or e-symmetric bending excited states of methane.

  16. Magnetic ordering-induced multiferroic behavior in [CH3NH3][Co(HCOO)3] metal-organic framework.

    DOE PAGES [OSTI]

    Gomez-Aguirre, Lilian Claudia; Zapf, Vivien S.; Pato-Doldan, Breogan; Mira, Jorge; Castro-Garcia, Socorro; Senaris-Rodriguez, Maria Antonia; Sanchez-Andujara, Manuel; Singleton, John

    2015-12-30

    Here, we present the first example of magnetic ordering-induced multiferroic behavior in a metal–organic framework magnet. This compound is [CH3NH3][Co(HCOO)3] with a perovskite-like structure. The A-site [CH3NH3]+ cation strongly distorts the framework, allowing anisotropic magnetic and electric behavior and coupling between them to occur. This material is a spin canted antiferromagnet below 15.9 K with a weak ferromagnetic component attributable to Dzyaloshinskii–Moriya (DM) interactions and experiences a discontinuous hysteretic magnetic-field-induced switching along [010] and a more continuous hysteresis along [101]. Coupling between the magnetic and electric order is resolved when the field is applied along this [101]: a spin rearrangementmore » occurs at a critical magnetic field in the ac plane that induces a change in the electric polarization along [101] and [10-1]. The electric polarization exhibits an unusual memory effect, as it remembers the direction of the previous two magnetic-field pulses applied. The data are consistent with an inverse-DM mechanism for multiferroic behavior.« less

  17. Density Functional Investigation of the Inclusion of Gold Clusters on a CH 3 S Self-Assembled Lattice on Au(111)

    DOE PAGES [OSTI]

    Allen, Darnel J.; Archibald, Wayne E.; Harper, John A.; Saputo, John C.; Torres, Daniel

    2016-01-01

    We employ first-principles density functional theoretical calculations to address the inclusion of gold (Au) clusters in a well-packed CH 3 S self-assembled lattice. We compute CH 3 S adsorption energies to quantify the energetic stability of the self-assembly and gold adsorption and dissolution energies to characterize the structural stability of a series of Au clusters adsorbed at the SAM-Au interface. Our results indicate that the inclusion of Au clusters with less than four Au atoms in the SAM-Au interface enhances the binding of CH 3 S species. In contrast, larger Au clusters destabilize the self-assembly. We attribute this effectmore » to the low-coordinated gold atoms in the cluster. For small clusters, these low-coordinated sites have significantly different electronic properties compared to larger islands, which makes the binding with the self-assembly energetically more favorable. Our results further indicate that Au clusters in the SAM-Au interface are thermodynamically unstable and they will tend to dissolve, producing Au adatoms incorporated in the self-assembly in the form of CH 3 S-Au-SCH 3 species. This is due to the strong S-Au bond which stabilizes single Au adatoms in the self-assembly. Our results provide solid insight into the impact of adatom islands at the CH 3 S-Au interface.« less

  18. S-OO bond dissociation energies and enthalpies of formation of the thiomethyl peroxyl radicals CH{sub 3}S(O){sub n}OO (n=0,1,2)

    SciTech Connect

    Salta, Zoi; Kosmas, Agnie Mylona; Lesar, Antonija

    2014-10-06

    Optimized geometries, S-OO bond dissociation energies and enthalpies of formation for a series of thiomethyl peroxyl radicals are investigated using high level ab initio and density functional theory methods. The results show that the S-OO bond dissociation energy is largest in the methylsulfonyl peroxyl radical, CH{sub 3}S(O){sub 2}OO, which contains two sulfonic type oxygen atoms followed by the methylthiyl peroxyl radical, CH{sub 3}SOO. The methylsulfinyl peroxyl radical, CH{sub 3}S(O)OO, which contains only one sulfonic type oxygen shows the least stability with regard to dissociation to CH{sub 3}S(O)+O{sub 2}. This stabilization trend is nicely reflected in the variations of the S-OO bond distance which is found to be shortest in CH{sub 3}S(O){sub 2}OO and longest in CH{sub 3}S(O)OO.

  19. Department of Justice: CH2M Hill Hanford Group Inc. Admits Criminal Conduct, Parent Company Agrees to Cooperate in Ongoing Investigation and Pay $18.5 Million to Resolve Civil and Criminal Allegations

    Energy.gov [DOE]

    The Justice Department, in conjunction with the U.S. Attorney’s Office for the Eastern District of Washington, announced today that Colorado-based CH2M Hill Hanford Group Inc. (CHG) and its parent company, CH2M Hill Companies Ltd. (CH2M Hill) have agreed that CHG committed federal criminal violations, defrauding the public by engaging in years of widespread time card fraud.

  20. Communication: Imaging the effects of the antisymmetric-stretching excitation in the O({sup 3}P) + CH{sub 4}(v{sub 3} = 1) reaction

    SciTech Connect

    Pan, Huilin [Institute of Atomic and Molecular Sciences (IAMS), Academia Sinica, P. O. Box 23-166, Taipei 10617, Taiwan (China) [Institute of Atomic and Molecular Sciences (IAMS), Academia Sinica, P. O. Box 23-166, Taipei 10617, Taiwan (China); State Key Laboratory of Molecular Reaction Dynamics, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023 (China); Liu, Kopin, E-mail: kliu@po.iams.sinica.edu.tw [Institute of Atomic and Molecular Sciences (IAMS), Academia Sinica, P. O. Box 23-166, Taipei 10617, Taiwan (China)] [Institute of Atomic and Molecular Sciences (IAMS), Academia Sinica, P. O. Box 23-166, Taipei 10617, Taiwan (China)

    2014-05-21

    Effects of one-quantum excitation of the antisymmetric-stretching mode of CH{sub 4}(v{sub 3} = 1) on the O({sup 3}P) + CH{sub 4} reaction were studied in a crossed-beam, ion-imaging experiment. In the post-threshold region, we found that (1) the product state distributions are dominated by the CH{sub 3}(0{sub 0}) + OH(v{sup ?} = 1) pair, (2) the product angular distributions extend toward sideways from the backward dominance of the ground-state reaction, and (3) vibrational excitation exerts a positive effect on reactivity, but translational energy is more efficient in promoting the rate of this central-barrier reaction. All major findings agree reasonably well with recent theoretical results. Some remaining questions are pointed out.

  1. Efficient photo-dissociation of CH{sub 4} and H{sub 2}CO molecules with optimized ultra-short laser pulses

    SciTech Connect

    Rasti, S.; Irani, E.; Sadighi-Bonabi, R.

    2015-11-15

    The fragmentation dynamics of CH{sub 4} and H{sub 2}CO molecules have been studied with ultra-short pulses at laser intensityof up to 10{sup 15}Wcm{sup −2}. Three dimensional molecular dynamics calculations for finding the optimized laser pulses are presented based on time-dependent density functional theory and quantum optimal control theory. A comparison of the results for orientation dependence in the ionization process shows that the electron distribution for CH{sub 4} is more isotropic than H{sub 2}CO molecule. Total conversion yields of up to 70% at an orientation angle of 30{sup o} for CH{sub 4} and 65% at 90{sup 0} for H{sub 2}CO are achieved which lead to enhancement of dissociation probability.

  2. Observation of hydroxymethyl hydroperoxide in a reaction system containing CH{sub 2}OO and water vapor through pure rotational spectroscopy

    SciTech Connect

    Nakajima, Masakazu; Endo, Yasuki

    2015-10-28

    Pure rotational transitions of hydroxymethyl hydroperoxide (HMHP) were observed in the discharged plasma of a CH{sub 2}I{sub 2}/O{sub 2}/water gas mixture, where the water complex with the simplest Criegee intermediate CH{sub 2}OO has been identified [M. Nakajima and Y. Endo, J. Chem. Phys. 140, 134302 (2014)]. Isotope experiments using heavy water support that the currently observed HMHP molecule was produced by the reaction of CH{sub 2}OO with water vapor. The observed species was identified as the most stable conformer with the help of quantum chemical calculations. We also clarified that productions of formic acid and dioxirane are promoted by the existence of water vapor in the discharged reaction system.

  3. Unusual defect physics in CH{sub 3}NH{sub 3}PbI{sub 3} perovskite solar cell absorber

    SciTech Connect

    Yin, Wan-Jian Shi, Tingting; Yan, Yanfa

    2014-02-10

    Thin-film solar cells based on Methylammonium triiodideplumbate (CH{sub 3}NH{sub 3}PbI{sub 3}) halide perovskites have recently shown remarkable performance. First-principle calculations show that CH{sub 3}NH{sub 3}PbI{sub 3} has unusual defect physics: (i) Different from common p-type thin-film solar cell absorbers, it exhibits flexible conductivity from good p-type, intrinsic to good n-type depending on the growth conditions; (ii) Dominant intrinsic defects create only shallow levels, which partially explain the long electron-hole diffusion length and high open-circuit voltage in solar cell. The unusual defect properties can be attributed to the strong Pb lone-pair s orbital and I p orbital antibonding coupling and the high ionicity of CH{sub 3}NH{sub 3}PbI{sub 3}.

  4. Review of the findings of the Ignik Sikumi CO2-CH4 gas hydrate exchange field trial

    SciTech Connect

    Anderson, Brian J.; Boswell, Ray; Collett, Tim S.; Farrell, Helen; Ohtsuka, Satoshi; White, Mark D.

    2014-08-01

    The Ignik Sikumi Gas Hydrate Exchange Field Trial was conducted by ConocoPhillips in partnership with the U.S. Department of Energy, the Japan Oil, Gas, and Metals National Corporation, and the U.S. Geological Survey within the Prudhoe Bay Unit on the Alaska North Slope (ANS) during 2011 and 2012. The 2011 field program included drilling the vertical test well and performing extensive wireline logging through a thick section of gas-hydrate-bearing sand reservoirs that provided substantial new insight into the nature of ANS gas hydrate occurrences. The 2012 field program involved an extended, scientific field trial conducted within a single vertical well (“huff-and-puff” design) through three primary operational phases: 1) injection of a gaseous phase mixture of CO2, N2, and chemical tracers; 2) flowback conducted at down-hole pressures above the stability threshold for native CH4-hydrate, and 3) extended (30-days) flowback at pressures below the stability threshold of native CH4-hydrate. Ignik Sikumi represents the first field investigation of gas hydrate response to chemical injection, and the longest-duration field reservoir response experiment yet conducted. Full descriptions of the operations and data collected have been fully reported by ConocoPhillips and are available to the science community. The 2011 field program indicated the presence of free water within the gas hydrate reservoir, a finding with significant implications to the design of the exchange trial – most notably the use of a mixed gas injectant. While this decision resulted in a complex chemical environment within the reservoir that greatly tests current experimental and modeling capabilities – without such a mixture, it is apparent that injection could not have been achieved. While interpretation of the field data are continuing, the primary scientific findings and implications of the program are: 1) gas hydrate destabilizing is self-limiting, dispelling any notion of the potential for

  5. Rovibronic structure in slow photoelectron velocity-map imaging spectroscopy of CH{sub 2}CN{sup −} and CD{sub 2}CN{sup −}

    SciTech Connect

    Weichman, Marissa L.; Kim, Jongjin B.; Neumark, Daniel M.

    2014-03-14

    We report high-resolution anion photoelectron spectra of the cryogenically cooled cyanomethide anion, CH{sub 2}CN{sup −}, and its isotopologue, CD{sub 2}CN{sup −}, using slow photoelectron velocity-map imaging (SEVI) spectroscopy. Electron affinities of 12 468(2) cm{sup −1} for CH{sub 2}CN and 12 402(2) cm{sup −1} for CD{sub 2}CN are obtained, demonstrating greater precision than previous experiments. New vibrational structure is resolved for both neutral species, especially activity of the ν{sub 5} hydrogen umbrella modes. The ν{sub 6} out-of-plane bending mode fundamental frequency is measured for the first time in both systems and found to be 420(10) cm{sup −1} for CH{sub 2}CN and 389(8) cm{sup −1} for CD{sub 2}CN. Some rotational structure is resolved, allowing for accurate extraction of vibrational frequencies. Temperature-dependent SEVI spectra show marked effects ascribed to controlled population of low-lying anion vibrational levels. We directly measure the inversion splitting between the first two vibrational levels of the anion ν{sub 5} umbrella mode in both species, finding a splitting of 130(20) cm{sup −1} for CH{sub 2}CN{sup −} and 81(20) cm{sup −1} for CD{sub 2}CN{sup −}. Franck-Condon forbidden activity is observed and attributed to mode-specific vibrational autodetachment from the CH{sub 2}CN{sup −} and CD{sub 2}CN{sup −} dipole bound excited states. We also refine the binding energy of the anion dipole bound states to 39 and 42 cm{sup −1}, respectively, for CH{sub 2}CN{sup −} and CD{sub 2}CN{sup −}.

  6. ELECTRON IRRADIATION OF KUIPER BELT SURFACE ICES: TERNARY N{sub 2}-CH{sub 4}-CO MIXTURES AS A CASE STUDY

    SciTech Connect

    Kim, Y. S.; Kaiser, R. I.

    2012-10-10

    The space weathering of icy Kuiper Belt Objects was investigated in this case study by exposing methane (CH{sub 4}) and carbon monoxide (CO) doped nitrogen (N{sub 2}) ices at 10 K to ionizing radiation in the form of energetic electrons. Online and in situ Fourier transform infrared spectroscopy was utilized to monitor the radiation-induced chemical processing of these ices. Along with isocyanic acid (HNCO), the products could be mainly derived from those formed in irradiated binary ices of the N{sub 2}-CH{sub 4} and CO-CH{sub 4} systems: nitrogen-bearing products were found in the form of hydrogen cyanide (HCN), hydrogen isocyanide (HNC), diazomethane (CH{sub 2}N{sub 2}), and its radical fragment (HCN{sub 2}); oxygen-bearing products were of acetaldehyde (CH{sub 3}CHO), formyl radical (HCO), and formaldehyde (H{sub 2}CO). As in the pure ices, the methyl radical (CH{sub 3}) and ethane (C{sub 2}H{sub 6}) were also detected, as were carbon dioxide (CO{sub 2}) and the azide radical (N{sub 3}). Based on the temporal evolution of the newly formed products, kinetic reaction schemes were then developed to fit the temporal profiles of the newly formed species, resulting in numerical sets of rate constants. The current study highlights important constraints on the preferential formation of isocyanic acid (HNCO) over hydrogen cyanide (HCN) and hydrogen isocyanide (HNC), thus guiding the astrobiological and chemical evolution of those distant bodies.

  7. Effect of CH stretching excitation on the reaction dynamics of F + CHD{sub 3} → DF + CHD{sub 2}

    SciTech Connect

    Yang, Jiayue; Zhang, Dong; Chen, Zhen; Jiang, Bo; Blauert, Florian; Dai, Dongxu; Wu, Guorong E-mail: xmyang@dicp.ac.cn; Zhang, Donghui; Yang, Xueming E-mail: xmyang@dicp.ac.cn

    2015-07-28

    The vibrationally excited reaction of F + CHD{sub 3}(ν{sub 1} = 1) → DF + CHD{sub 2} at a collision energy of 9.0 kcal/mol is investigated using the crossed-beams and time-sliced velocity map imaging techniques. Detailed and quantitative information of the CH stretching excitation effects on the reactivity and dynamics of the title reaction is extracted with the help of an accurate determination of the fraction of the excited CHD{sub 3} reagent in the crossed-beam region. It is found that all vibrational states of the CHD{sub 2} products observed in the ground-state reaction, which mainly involve the excitation of the umbrella mode of the CHD{sub 2} products, are severely suppressed by the CH stretching excitation. However, there are four additional vibrational states of the CHD{sub 2} products appearing in the excited-state reaction which are not presented in the ground-state reaction. These vibrational states either have the CH stretching excitation retained or involve one quantum excitation in the CH stretching and the excitation of the umbrella mode. Including all observed vibrational states, the overall cross section of the excited-state reaction is estimated to be 66.6% of that of the ground-state one. Experimental results also show that when the energy of CH stretching excitation is released during the reaction, it is deposited almost exclusively as the rovibrational energy of the DF products, with little portion in the translational degree of freedom. For vibrational states of the CHD{sub 2} products observed in both ground- and excited-state reactions, the CH stretching excitation greatly suppresses the forward scattered products, causing a noticeable change in the product angular distributions.

  8. Complete Phase I Tests As Described in the Multi-lab Test Plan for the Evaluation of CH3I Adsorption on AgZ

    SciTech Connect

    Bruffey, S. H.; Jubin, R. T.

    2014-09-30

    Silver-exchanged mordenite (AgZ) has been identified as a potential sorbent for iodine present in the off-gas streams of a used nuclear fuel reprocessing facility. In such a facility, both elemental and organic forms of iodine are released from the dissolver in gaseous form. These species of iodine must be captured with high efficiency for a facility to avoid radioactive iodine release above regulatory limits in the gaseous effluent of the plant. Studies completed at Idaho National Laboratory (INL) examined the adsorption of organic iodine in the form of CH3I by AgZ. Upon breakthrough of the feed gas through the sorbent bed, elemental iodine was observed in the effluent stream, despite the fact that the only source of iodine in the system was the CH3I in the feed gas.1 This behavior does not appear to have been reported previously nor has it been independently confirmed. Thus, as a result of these prior studies, multiple knowledge gaps relating to the adsorption of CH3I by AgZ were identified, and a multi-lab test plan, including Oak Ridge National Laboratory (ORNL), INL, Pacific Northwest National Laboratory (PNNL), and Sandia National Laboratories, was formulated to address each in a systematic way.2 For this report, the scope of work for ORNL was further narrowed to three thin-bed experiments that would characterize CH3I adsorption onto AgZ in the presence of water, NO, and NO2. Completion of these three-thin bed experiments demonstrated that organic iodine in the form of CH3I was adsorbed by reduced silver mordenite (Ag0Z) to a 50% higher loading than that of I2 when adsorbed from a dry air stream. Adsorption curves suggest different adsorption mechanisms for I2 and CH3I. In the presence of NO and NO2 gas, the loading of CH3I onto Ag0Z is suppressed and may be reversible. Further, the presence of NO and NO2 gas appears to oxidize CH3I to I2; this is indicated by an adsorption curve similar to that of I2 on Ag0Z. Finally, the loss of organic iodine loading

  9. Microstructures and properties of CH{sub 3}NH{sub 3}PbI{sub 3−x}Cl{sub x} hybrid solar cells

    SciTech Connect

    Suzuki, Kohei E-mail: oku@mat.usp.ac.jp; Suzuki, Atsushi E-mail: oku@mat.usp.ac.jp; Zushi, Masahito E-mail: oku@mat.usp.ac.jp; Oku, Takeo E-mail: oku@mat.usp.ac.jp

    2015-02-27

    Halide-perovskite CH{sub 3}NH{sub 3}PbI{sub 3} was produced on mesoporous TiO{sub 2} layer by spin-coating a precursor solution of PbCl{sub 2} and CH{sub 3}NH{sub 3}I in dimethylformamide. The role of the annealing process and chlorine (Cl) doping for the perovskite-phase formation was investigated. It was found that crystallization of the perovskite materials was stimulated by the annealing process, and that longer annealing time is necessary for the Cl-doped perovskite compared with that of non-doped perovskite phase.

  10. Low Surface Recombination Velocity in Solution-Grown CH3NH3PbBr3 Perovskite Single Crystal

    DOE PAGES [OSTI]

    Yang, Ye; Yan, Yong; Yang, Mengjin; Choi, Sukgeun; Zhu, Kai; Luter, Joseph M.; Beard, Matthew C.

    2015-08-06

    Organic-inorganic hybrid perovskites are attracting intense research effort due to their impressive performance in solar cells. While the carrier transport parameters such as mobility and bulk carrier lifetime shows sufficient characteristics, the surface recombination, which can have major impact on the solar cell performance, has not been studied. Here we measure surface recombination dynamics in CH3NH3PbBr3 perovskite single crystals using broadband transient reflectance spectroscopy. The surface recombination velocity is found to be 3.4±0.1 103 cm s-1, B2–3 orders of magnitude lower than that in many important unpassivated semiconductors employed in solar cells. Our result suggests that the planar grain sizemore » for the perovskite thin films should be larger thanB30 mm to avoid the influence of surface recombination on the effective carrier lifetime.« less

  11. Time-Resolved Quantitative Measurement of OH HO2 and CH2O in Fuel Oxidation Reactions by High Resolution IR Absorption Spectroscopy.

    SciTech Connect

    Huang, Haifeng; Rotavera, Brandon; Taatjes, Craig A.

    2014-08-01

    Combined with a Herriott-type multi-pass slow flow reactor, high-resolution differential direct absorption spectroscopy has been used to probe, in situ and quantitatively, hydroxyl (OH), hydroperoxy (HO 2 ) and formaldehyde (CH 2 O) molecules in fuel oxidation reactions in the reactor, with a time resolution of about 1 micro-second. While OH and CH 2 O are probed in the mid-infrared (MIR) region near 2870nm and 3574nm respectively, HO 2 can be probed in both regions: near-infrared (NIR) at 1509nm and MIR at 2870nm. Typical sensitivities are on the order of 10 10 - 10 11 molecule cm -3 for OH at 2870nm, 10 11 molecule cm -3 for HO 2 at 1509nm, and 10 11 molecule cm -3 for CH 2 O at 3574nm. Measurements of multiple important intermediates (OH and HO 2 ) and product (CH 2 O) facilitate to understand and further validate chemical mechanisms of fuel oxidation chemistry.

  12. Crystal structure of dioxobis(benzhydroxamato)molybdenum(VI) with propionic acid MoO2(C6H5CONHO)2 x 2/3 CH3CH2COOH

    SciTech Connect

    Makhmudova, N.K.; Sharipov, Kh.T.; Kohdashova, T.S.; Porai-Koshits, M.A.; Ibragimov, B.T.

    1987-04-01

    An x-ray structural investigation of the structure of MoO2 (C6H5CONHO)2 x 2/3 CH3CH2COOH (I) has been carried out (diffractometer, Cu K/sub /, least-squares method in the anisotropic approximation to R = 0.053). The crystallographic data are: a = 17.290(2), c = 11.140(2) A, rho(exp) = 1.53, rho(calc) = 1.562(1) g/cmT, space group P61, Z = 6. The crystals of I were built up from monomeric complex molecules of MoO2 (C6H5CONHO)2, which are joined to one another by a system of hydrogen bonds to form a loose three-dimensional skeleton with large channel-like openings. The presence of solvent molecules in I (which were not detected by the analysis of the electron density) is indicated by the band of the stretching vibration of the carbonyl group nu(C=O) of propionic acid at nu = 1720 cm in the IR spectrum of I. The analysis of the derivatogram of I and the comparison of the values of the density of the crystal (calculated and experimental) indicate that the MoO2(BHA)2:PA ratio is equal to 1:2/3. An ordinary distorted octahedral environment of Mo(VI) consisting of oxygen atoms has been established. The geometric characteristics of the cis-molybdenyl grouping are as follows: Mo-O(1) = 1.701(4), Mo-O(2) = 1.679(6) A, and the OMoO angle equals 104.3(3). The magnitude of the effect of the influence of the double bonds in the two independent chelate rings is equal to 0.137 and 0.244 A. The complex molecules of MoO2 (BHA)2 are joined to one another by H bonds, which link the neighboring complexes in helical chains around 61 axes and bind these chains in a three-dimensional framework. The set of H bonds and the arrangement of the chelate rings and phenyl rings result in the formation of channels of types A and B. X-ray powder diffraction analysis showed that the channels of type A are randomly occupied by the molecules of propionic acid (PA).

  13. Gas-phase photodissociation of CH{sub 3}COCN at 308 nm by time-resolved Fourier-transform infrared emission spectroscopy

    SciTech Connect

    Yeh, Yu-Ying; Chao, Meng-Hsuan; Tsai, Po-Yu; Chang, Yuan-Bin; Tsai, Ming-Tsang; Lin, King-Chuen

    2012-01-28

    By using time-resolved Fourier-transform infrared emission spectroscopy, the fragments of HCN(v= 1, 2) and CO(v= 1-3) are detected in one-photon dissociation of acetyl cyanide (CH{sub 3}COCN) at 308 nm. The S{sub 1}(A'), {sup 1}(n{sub O}, {pi}*{sub CO}) state at 308 nm has a radiative lifetime of 0.46 {+-} 0.01 {mu}s, long enough to allow for Ar collisions that induce internal conversion and enhance the fragment yields. The rate constant of Ar collision-induced internal conversion is estimated to be (1-7) x 10{sup -12} cm{sup 3} molecule{sup -1} s{sup -1}. The measurements of O{sub 2} dependence exclude the production possibility of these fragments via intersystem crossing. The high-resolution spectra of HCN and CO are analyzed to determine the ro-vibrational energy deposition of 81 {+-} 7 and 32 {+-} 3 kJ/mol, respectively. With the aid of ab initio calculations, a two-body dissociation on the energetic ground state is favored leading to HCN + CH{sub 2}CO, in which the CH{sub 2}CO moiety may further undergo secondary dissociation to release CO. The production of CO{sub 2} in the reaction with O{sub 2} confirms existence of CH{sub 2} and a secondary reaction product of CO. The HNC fragment is identified but cannot be assigned, as restricted to a poor signal-to-noise ratio. Because of insufficient excitation energy at 308 nm, the CN and CH{sub 3} fragments that dominate the dissociation products at 193 nm are not detected.

  14. THE SOURCES OF HCN AND CH{sub 3}OH AND THE ROTATIONAL TEMPERATURE IN COMET 103P/HARTLEY 2 FROM TIME-RESOLVED MILLIMETER SPECTROSCOPY

    SciTech Connect

    Drahus, Michal; Jewitt, David; Guilbert-Lepoutre, Aurelie; Waniak, Waclaw; Sievers, Albrecht

    2012-09-01

    One of the least understood properties of comets is the compositional structure of their nuclei, which can either be homogeneous or heterogeneous. The nucleus structure can be conveniently studied at millimeter wavelengths, using velocity-resolved spectral time series of the emission lines, obtained simultaneously for multiple molecules as the body rotates. Using this technique, we investigated the sources of CH{sub 3}OH and HCN in comet 103P/Hartley 2, the target of NASA's EPOXI mission, which had an exceptionally favorable apparition in late 2010. Our monitoring with the IRAM 30 m telescope shows short-term variability of the spectral lines caused by nucleus rotation. The varying production rates generate changes in brightness by a factor of four for HCN and by a factor of two for CH{sub 3}OH, and they are remarkably well correlated in time. With the addition of the velocity information from the line profiles, we identify the main sources of outgassing: two jets, oppositely directed in a radial sense, and icy grains, injected into the coma primarily through one of the jets. The mixing ratio of CH{sub 3}OH and HCN is dramatically different in the two jets, which evidently shows large-scale chemical heterogeneity of the nucleus. We propose a network of identities linking the two jets with morphological features reported elsewhere and postulate that the chemical heterogeneity may result from thermal evolution. The model-dependent average production rates are 3.5 Multiplication-Sign 10{sup 26} molecules s{sup -1} for CH{sub 3}OH and 1.25 Multiplication-Sign 10{sup 25} molecules s{sup -1} for HCN, and their ratio of 28 is rather high but not abnormal. The rotational temperature from CH{sub 3}OH varied strongly, presumably due to nucleus rotation, with the average value being 47 K.

  15. Infrared spectroscopic and modeling studies of H{sub 2}/CH{sub 4} microwave plasma gas phase from low to high pressure and power

    SciTech Connect

    Rond, C. Lombardi, G.; Gicquel, A.; Hamann, S.; Rpcke, J.; Wartel, M.

    2014-09-07

    InfraRed Tunable Diode Laser Absorption Spectroscopy technique has been implemented in a H{sub 2}/CH{sub 4} Micro-Wave (MW frequency f?=?2.45 GHz) plasma reactor dedicated to diamond deposition under high pressure and high power conditions. Parametric studies such as a function of MW power, pressure, and admixtures of methane have been carried out on a wide range of experimental conditions: the pressure up to 270 mbar and the MW power up to 4?kW. These conditions allow high purity Chemical Vapor Deposition diamond deposition at high growth rates. Line integrated absorption measurements have been performed in order to monitor hydrocarbon species, i.e., CH{sub 3}, CH{sub 4}, C{sub 2}H{sub 2}, C{sub 2}H{sub 4}, and C{sub 2}H{sub 6}. The densities of the stable detected species were found to vary in the range of 10{sup 12}10{sup 17} molecules cm{sup ?3}, while the methyl radical CH{sub 3} (precursor of diamond growth under these conditions) measured into the plasma bulk was found up to 10{sup 14} molecules cm{sup ?3}. The experimental densities have been compared to those provided by 1D-radial thermochemical model for low power and low pressure conditions (up to 100 mbar/2?kW). These densities have been axially integrated. Experimental measurements under high pressure and power conditions confirm a strong increase of the degree of dissociation of the precursor, CH{sub 4}, associated to an increase of the C{sub 2}H{sub 2} density, the most abundant reaction product in the plasma.

  16. Phase stabilities of pyrite-related MTCh compounds (M=Ni, Pd, Pt; T=Si, Ge, Sn, Pb; Ch=S, Se, Te): A systematic DFT study

    SciTech Connect

    Bachhuber, Frederik; Krach, Alexander; Furtner, Andrea; Söhnel, Tilo; Peter, Philipp; Rothballer, Jan; Weihrich, Richard

    2015-03-15

    Pyrite-type and related systems appear for a wide range of binary and ternary combinations of transition metals and main group elements that form Zintl type dumbbell anion units. Those representatives with 20 valence electrons exhibit an extraordinary structural flexibility and interesting properties as low-gap semiconductors or thermoelectric and electrode materials. This work is devoted to the systematic exploration of novel compounds within the class of MTCh compounds (M=Ni, Pd, Pt; T=Si, Ge, Sn, Pb; Ch=S, Se, Te) by means of density functional calculations. Their preferred structures are predicted from an extended scheme of colored pyrites and marcasites. To determine their stabilities, competing binary MT{sub 2} and MCh{sub 2} boundary phases are taken into account as well as ternary M{sub 3}T{sub 2}Ch{sub 2} and M{sub 2}T{sub 3}Ch{sub 3} systems. Recently established stability diagrams are presented to account for MTCh ordering phenomena with a focus on a not-yet-reported ordering variant of the NiAs{sub 2} type. Due to the good agreement with experimental data available for several PtTCh systems, the predictions for the residual systems are considered sufficiently accurate. - Graphical abstract: Compositional and structural stability of MTCh compounds is investigated from first principle calculations. A conceptional approach is presented to study and predict novel stable and metastable compounds and structures of low gap semiconductors with TCh dumbbell units that are isoelectronic and structurally related to pyrite (FeS{sub 2}). - Highlights: • Study of compositional stability of MTCh vs. M{sub 3}T{sub 2}Ch{sub 2} and M{sub 2}T{sub 3}Ch{sub 3} compounds. • Study of structural stability of known and novel MTCh compounds. • Prediction of novel stable and metastable structures and compounds isoelectronic to pyrite, FeS{sub 2}.

  17. The European land and inland water CO2, CO, CH4 and N2O balance between 2001 and 2005

    SciTech Connect

    Luyassaert, S; Abril, G; Andres, Robert Joseph; Bastviken, D; Bellassen, V; Bergamaschi, P; Bousquet, P; Chevallier, F; Ciais, P.; Dechow, R; Erb, K-H; Etiope, G; Fortems-Cheiney, A; Grassi, G; Hartmann, J; Jung, M.; Lathiere, J; Lohila, A; Mayorga, E; Moosdorf, N; Njakou, D; Otto, J; Papale, D.; Peters, W; Peylin, P; Raymond, Peter A; Rodenbeck, C; Saarnio, S; Schulze, E.-D.; Szopa, S; Thompson, R; Verkerk, P; Vuichard, N; Wang, R; Wattenbach, M; Zaehle, S

    2012-01-01

    Globally, terrestrial ecosystems have absorbed about 30% of anthropogenic greenhouse gas emissions over the period 2000-2007 and inter-hemispheric gradients indicate that a significant fraction of terrestrial carbon sequestration must be north of the Equator. We present a compilation of the CO{sub 2}, CO, CH{sub 4} and N{sub 2}O balances of Europe following a dual constraint approach in which (1) a land-based balance derived mainly from ecosystem carbon inventories and (2) a land-based balance derived from flux measurements are compared to (3) the atmospheric data-based balance derived from inversions constrained by measurements of atmospheric GHG (greenhouse gas) concentrations. Good agreement between the GHG balances based on fluxes (1294 {+-} 545 Tg C in CO{sub 2}-eq yr{sup -1}), inventories (1299 {+-} 200 Tg C in CO{sub 2}-eq yr{sup -1}) and inversions (1210 {+-} 405 Tg C in CO{sub 2}-eq yr{sup -1}) increases our confidence that the processes underlying the European GHG budget are well understood and reasonably sampled. However, the uncertainty remains large and largely lacks formal estimates. Given that European net land to atmosphere exchanges are determined by a few dominant fluxes, the uncertainty of these key components needs to be formally estimated before efforts could be made to reduce the overall uncertainty. The net land-to-atmosphere flux is a net source for CO{sub 2}, CO, CH{sub 4} and N{sub 2}O, because the anthropogenic emissions by far exceed the biogenic sink strength. The dual-constraint approach confirmed that the European biogenic sink removes as much as 205 {+-} 72 Tg C yr{sup -1} from fossil fuel burning from the atmosphere. However, This C is being sequestered in both terrestrial and inland aquatic ecosystems. If the C-cost for ecosystem management is taken into account, the net uptake of ecosystems is estimated to decrease by 45% but still indicates substantial C-sequestration. However, when the balance is extended from CO{sub 2} towards

  18. The role of the transition state in polyatomic reactions: Initial state-selected reaction probabilities of the H + CH{sub 4} ? H{sub 2} + CH{sub 3} reaction

    SciTech Connect

    Welsch, Ralph Manthe, Uwe

    2014-11-07

    Full-dimensional calculations of initial state-selected reaction probabilities on an accurate ab initio potential energy surface (PES) have been communicated recently [R. Welsch and U. Manthe, J. Chem. Phys. 141, 051102 (2014)]. These calculations use the quantum transition state concept, the multi-layer multi-configurational time-dependent Hartree approach, and graphics processing units to speed up the potential evaluation. Here further results of these calculations and an extended analysis are presented. State-selected reaction probabilities are given for many initial ro-vibrational states. The role of the vibrational states of the activated complex is analyzed in detail. It is found that rotationally cold methane mainly reacts via the ground state of the activated complex while rotationally excited methane mostly reacts via HHCH{sub 3}-bending excited states of the activated complex. Analyzing the different contributions to the reactivity of the vibrationally states of methane, a complex pattern is found. Comparison with initial state-selected reaction probabilities computed on the semi-empirical Jordan-Gilbert PES reveals the dependence of the results on the specific PES.

  19. Facile fabrication of large-grain CH3NH3PbI3-xBrx films for high-efficiency solar cells via CH3NH3Br-selective Ostwald ripening

    DOE PAGES [OSTI]

    Yang, Mengjin; Zhang, Taiyang; Schulz, Philip; Li, Zhen; Li, Ge; Kim, Dong Hoe; Guo, Nanjie; Berry, Joseph J.; Zhu, Kai; Zhao, Yixin

    2016-08-01

    Organometallic halide perovskite solar cells (PSCs) have shown great promise as a low-cost, high-efficiency photovoltaic technology. Structural and electro-optical properties of the perovskite absorber layer are most critical to device operation characteristics. Here we present a facile fabrication of high-efficiency PSCs based on compact, large-grain, pinhole-free CH3NH3PbI3-xBrx (MAPbI3-xBrx) thin films with high reproducibility. A simple methylammonium bromide (MABr) treatment via spin-coating with a proper MABr concentration converts MAPbI3 thin films with different initial film qualities (for example, grain size and pinholes) to high-quality MAPbI3-xBrx thin films following an Ostwald ripening process, which is strongly affected by MABr concentration and ismore » ineffective when replacing MABr with methylammonium iodide. A higher MABr concentration enhances I-Br anion exchange reaction, yielding poorer device performance. Lastly, this MABr-selective Ostwald ripening process improves cell efficiency but also enhances device stability and thus represents a simple, promising strategy for further improving PSC performance with higher reproducibility and reliability.« less

  20. Synthesis and crystal structure of (NH{sub 4}){sub 3}[UO{sub 2}(CH{sub 3}COO){sub 3}]{sub 2}[UO{sub 2}(CH{sub 3}COO)(NCS){sub 2}(H{sub 2}O)

    SciTech Connect

    Serezhkina, L. B.; Peresypkina, E. V.; Virovets, A. V.; Karasev, M. O.

    2010-01-15

    Single crystals of the compound (NH{sub 4}){sub 3}[UO{sub 2}(CH{sub 3}COO){sub 3}]{sub 2}[UO{sub 2}(CH{sub 3}COO)(NCS){sub 2}(H{sub 2}O)] (I) are synthesized, and their structure is investigated using X-ray diffraction. Compound I crystallizes in the monoclinic system with the unit cell parameters a = 18.3414(6) A, b = 16.3858(7) A, c = 12.4183(5) A, {beta} = 92.992(1){sup o}, space group C2/c, Z = 4, V = 3727.1(3) A{sup 3}, and R = 0.0253. The uranium-containing structural units of crystals I are mononuclear complexes of two types with an island structure, i.e., the [UO{sub 2}(CH{sub 3}COO){sub 3}]{sup -} anionic complexes belonging to the crystal-chemical group (AB{sub 3}{sup 01} = UO{sub 2}{sup 2+}, B{sup 01} = CH{sub 3}COO{sup -}) of the uranyl complexes and the [UO{sub 2}(CH{sub 3}COO)(NCS){sub 2}(H{sub 2}O)]{sup -} anionic complexes belonging to the crystal-chemical group AB{sup 01}M{sub 3}{sup 1} (A = UO{sub 2}{sup 2+}, B{sup 01} = CH{sub 3}COO{sup -}, M{sup 1} = NCS{sup -} or H{sub 2}O).

  1. Intermolecular potential energy surface and thermophysical properties of the CH{sub 4}N{sub 2} system

    SciTech Connect

    Hellmann, Robert Bich, Eckard; Vogel, Eckhard; Vesovic, Velisa

    2014-12-14

    A five-dimensional potential energy surface (PES) for the interaction of a rigid methane molecule with a rigid nitrogen molecule was determined from quantum-chemical ab initio calculations. The counterpoise-corrected supermolecular approach at the CCSD(T) level of theory was utilized to compute a total of 743 points on the PES. The interaction energies were calculated using basis sets of up to quadruple-zeta quality with bond functions and were extrapolated to the complete basis set limit. An analytical site-site potential function with nine sites for methane and five sites for nitrogen was fitted to the interaction energies. The PES was validated by calculating the cross second virial coefficient as well as the shear viscosity and binary diffusion coefficient in the dilute-gas limit for CH{sub 4}N{sub 2} mixtures. An improved PES was obtained by adjusting a single parameter of the analytical potential function in such a way that quantitative agreement with the most accurate experimental values of the cross second virial coefficient was achieved. The transport property values obtained with the adjusted PES are in good agreement with the best experimental data.

  2. Density Functional Studies of Stoichiometric Surfaces of Orthorhombic Hybrid Perovskite CH3NH3PbI3

    DOE PAGES [OSTI]

    Wang, Yun; Huang, Jingsong; Sumpter, Bobby G.; Zhang, Haimin; Liu, Porun; Yang, Huagui; Zhao, Huijun

    2014-12-19

    Organic/inorganic hybrid perovskite materials are highly attractive for dye-sensitized solar cells as demonstrated by their rapid advances in energy conversion efficiency. In this work, the structures, energetics, and electronic properties for a range of stoichiometric surfaces of the orthorhombic perovskite CH3NH3PbI3 are theoretically studied using density functional theory. Various possible spatially and constitutionally isomeric surfaces are considered by diversifying the spatial orientations and connectivities of surface Pb-I bonds. The comparison of the surface energies for the most stable configurations identified for various surfaces shows that the stabilities of stoichiometric surfaces are mainly dictated by the coordination numbers of surface atoms,more » which are directly correlated with the numbers of broken bonds. Additionally, Coulombic interactions between I anions and organic countercations on the surface also contribute to the stabilization. Electronic properties are compared between the most stable (100) surface and the bulk phase, showing generally similar features except for the lifted band degeneracy and the enhanced bandgap energy for the surface. These studies on the stoichiometric surfaces serve as the first step toward gaining a fundamental understanding of the interfacial properties in the current structural design of perovskite based solar cells, in order to achieve further breakthroughs in solar conversion efficiencies.« less

  3. Density Functional Studies of Stoichiometric Surfaces of Orthorhombic Hybrid Perovskite CH3NH3PbI3

    SciTech Connect

    Wang, Yun; Huang, Jingsong; Sumpter, Bobby G; Zhang, Haimin; Liu, Porun; Yang, Huagui; Zhao, Huijun

    2015-01-01

    Organic/inorganic hybrid perovskite materials are highly attractive for dye-sensitized solar cells as demonstrated by their rapid advances in energy conversion efficiency. In this work, the structures, energetics, and electronic properties for a range of stoichiometric surfaces of the orthorhombic perovskite CH3NH3PbI3 are theoretically studied using density functional theory. Various possible spatially and constitutionally isomeric surfaces are considered by diversifying the spatial orientations and connectivities of surface Pb-I bonds. The comparison of the surface energies for the most stable configurations identified for various surfaces shows that the stabilities of stoichiometric surfaces are mainly dictated by the coordination numbers of surface atoms, which are directly correlated with the numbers of broken bonds. Additionally, Coulombic interactions between I anions and organic countercations on the surface also contribute to the stabilization. Electronic properties are compared between the most stable (100) surface and the bulk phase, showing generally similar features except for the lifted band degeneracy and the enhanced bandgap energy for the surface. These studies on the stoichiometric surfaces serve as the first step toward gaining a fundamental understanding of the interfacial properties in the current structural design of perovskite based solar cells, in order to achieve further breakthroughs in solar conversion efficiencies.

  4. Thermogravimetric Analysis of Modified Hematite by Methane (CH{sub 4}) for Chemical-Looping Combustion: A Global Kinetics Mechanism

    SciTech Connect

    Monazam, Esmail R.; Breault, Ronald W.; Siriwardane, Ranjani; Miller, Duane D.

    2013-10-01

    Iron oxide (Fe{sub 2}O{sub 3}) or in its natural form (hematite) is a potential material to capture CO{sub 2} through the chemical-looping combustion (CLC) process. It is known that magnesium (Mg) is an effective methyl cleaving catalyst and as such it has been combined with hematite to assess any possible enhancement to the kinetic rate for the reduction of Fe{sub 2}O{sub 3} with methane. Therefore, in order to evaluate its effectiveness as a hematite additive, the behaviors of Mg-modified hematite samples (hematite 5% Mg(OH){sub 2}) have been analyzed with regard to assessing any enhancement to the kinetic rate process. The Mg-modified hematite was prepared by hydrothermal synthesis. The reactivity experiments were conducted in a thermogravimetric analyzer (TGA) using continuous stream of CH{sub 4} (5, 10, and 20%) at temperatures ranging from 700 to 825 {degrees}C over ten reduction cycles. The mass spectroscopy analysis of product gas indicated the presence of CO{sub 2}, H{sub 2}O, H{sub 2} and CO in the gaseous product. The kinetic data at reduction step obtained by isothermal experiments could be well fitted by two parallel rate equations. The modified hematite samples showed higher reactivity as compared to unmodified hematite samples during reduction at all investigated temperatures.

  5. Density Functional Studies of Stoichiometric Surfaces of Orthorhombic Hybrid Perovskite CH3NH3PbI3

    SciTech Connect

    Wang, Yun; Huang, Jingsong; Sumpter, Bobby G.; Zhang, Haimin; Liu, Porun; Yang, Huagui; Zhao, Huijun

    2014-12-19

    Organic/inorganic hybrid perovskite materials are highly attractive for dye-sensitized solar cells as demonstrated by their rapid advances in energy conversion efficiency. In this work, the structures, energetics, and electronic properties for a range of stoichiometric surfaces of the orthorhombic perovskite CH3NH3PbI3 are theoretically studied using density functional theory. Various possible spatially and constitutionally isomeric surfaces are considered by diversifying the spatial orientations and connectivities of surface Pb-I bonds. The comparison of the surface energies for the most stable configurations identified for various surfaces shows that the stabilities of stoichiometric surfaces are mainly dictated by the coordination numbers of surface atoms, which are directly correlated with the numbers of broken bonds. Additionally, Coulombic interactions between I anions and organic countercations on the surface also contribute to the stabilization. Electronic properties are compared between the most stable (100) surface and the bulk phase, showing generally similar features except for the lifted band degeneracy and the enhanced bandgap energy for the surface. These studies on the stoichiometric surfaces serve as the first step toward gaining a fundamental understanding of the interfacial properties in the current structural design of perovskite based solar cells, in order to achieve further breakthroughs in solar conversion efficiencies.

  6. The complete, temperature resolved experimental spectrum of methanol (CH{sub 3}OH) between 560 and 654 GHz

    SciTech Connect

    Fortman, Sarah M.; Neese, Christopher F.; De Lucia, Frank C.

    2014-02-20

    The complete spectrum of methanol (CH{sub 3}OH) has been characterized over a range of astrophysically significant temperatures in the 560.4-654.0 GHz spectral region. Absolute intensity calibration and analysis of 166 experimental spectra recorded over a slow 248-398 K temperature ramp provide a means for the simulation of the complete spectrum of methanol as a function of temperature. These results include contributions from v{sub t} = 3 and other higher states that are difficult to model via quantum mechanical (QM) techniques. They also contain contributions from the {sup 13}C isotopologue in terrestrial abundance. In contrast to our earlier work on semi-rigid species, such as ethyl cyanide and vinyl cyanide, significant intensity differences between these experimental values and those calculated by QM methods were found for many of the lines. Analysis of these differences shows the difficulty of the calculation of dipole matrix elements in the context of the internal rotation of the methanol molecule. These results are used to both provide catalogs in the usual line frequency, linestrength, and lower state energy format, as well as in a frequency point-by-point catalog that is particularly well suited for the characterization of blended lines.

  7. The efficiency limit of CH{sub 3}NH{sub 3}PbI{sub 3} perovskite solar cells

    SciTech Connect

    Sha, Wei E. I.; Ren, Xingang; Chen, Luzhou; Choy, Wallace C. H.

    2015-06-01

    With the consideration of photon recycling effect, the efficiency limit of methylammonium lead iodide (CH{sub 3}NH{sub 3}PbI{sub 3}) perovskite solar cells is predicted by a detailed balance model. To obtain convincing predictions, both AM 1.5 spectrum of Sun and experimentally measured complex refractive index of perovskite material are employed in the detailed balance model. The roles of light trapping and angular restriction in improving the maximal output power of thin-film perovskite solar cells are also clarified. The efficiency limit of perovskite cells (without the angular restriction) is about 31%, which approaches to Shockley-Queisser limit (33%) achievable by gallium arsenide (GaAs) cells. Moreover, the Shockley-Queisser limit could be reached with a 200 nm-thick perovskite solar cell, through integrating a wavelength-dependent angular-restriction design with a textured light-trapping structure. Additionally, the influence of the trap-assisted nonradiative recombination on the device efficiency is investigated. The work is fundamentally important to high-performance perovskite photovoltaics.

  8. Photocatalytic CO{sub 2} reduction by CH{sub 4} over montmorillonite modified TiO{sub 2} nanocomposites in a continuous monolith photoreactor

    SciTech Connect

    Tahir, Muhammad; Tahir, Beenish

    2015-03-15

    Highlights: TiO{sub 2}/MMT supported monolith photo-reactor was tested for CO{sub 2} reduction with CH{sub 4}. MMT inhibited crystal growth and enhanced TiO{sub 2} photo-activity in monolith reactor. CO{sub 2} was reduced by CH{sub 4} to CO, CH{sub 3}OH, C{sub 2}H{sub 6}, C{sub 3}H{sub 6} and C{sub 3}H{sub 8} in a monolith reactor. CO yield over TiO{sub 2}/MMT was 237.5 ?mol g-catal.{sup ?1} h{sup ?1}, a 2.52 fold than TiO{sub 2}. Stability test revealed TiO{sub 2}/MMT partially lost photo-activity in reused cyclic runs. - Abstract: In this study, the performance of montmorillonite (MMT) modified TiO{sub 2} nanocomposites for photocatalytic CO{sub 2} reduction with CH{sub 4} in a continuous monolith photoreactor has been investigated. The MMT modified TiO{sub 2} nanocomposites were dip-coated over monolith channels and were characterized by XRD, SEM, TEM, XPS, N{sub 2}-adsorptiondesorption and UVvis spectroscopy. The MMT produced anatase phase of TiO{sub 2} and reduced TiO{sub 2} crystallite size from 19 nm to 13 nm. CO was the major reduction product with a yield rate of 237.5 ?mol g-catal.{sup ?1} h{sup ?1} over 10 wt.% MMT-loaded TiO{sub 2} at 100 C, and CO{sub 2}/CH{sub 4} feed ratio 1.0. The photoactivity of MMT-loaded TiO{sub 2} monolithic catalyst was 2.52 times higher than bare TiO{sub 2}. Likewise, low concentrations of C{sub 2}H{sub 6}, CH{sub 3}OH, C{sub 3}H{sub 6} and C{sub 3}H{sub 8} were detected in the products mixture. These results inferred MMT modified TiO{sub 2} and monolith photoreactor were beneficial for enhancing photocatalysis process with appreciable productivity. The stability test revealed photoactivity of MMT-loaded TiO{sub 2} nanocomposites partially diminished in recycle runs.

  9. Evaluation of the new cosmos sensor CH-01 for the detection of methane, in terms of selectivity and long-term stability

    SciTech Connect

    Massok, P.; Bertrand, D.

    1996-12-31

    For the last few years, Gaz de France has been interested in natural gas detection, which could become an additional service for its customers. Since these detectors would be linked to a shut-off valve, included in the new smart gas meter Dialogaz, they have to be reliable. That is why Gaz de France defined a protocol to evaluate sensors in terms of sensitivity to methane, selectivity to other gases and long-term stability. In the Gaz de France Research Centre laboratories, several commercialized sensors have already been tested among them the sensor CH-01, manufactured and distributed by New Cosmos Electric Co. Ltd, and distributed in Europe by Schlumberger Industries Gas Division, under the name CH-M.

  10. North American terrestrial CO2 uptake largely offset by CH4 and N2O emissions: toward a full accounting of the greenhouse gas budget

    DOE PAGES [OSTI]

    Tian, Hanqin; Chen, Guangsheng; Lu, Chaoqun; Xu, Xiaofeng; Hayes, Daniel J.; Ren, Wei; Pan, Shufen; Huntzinger, Deborah N.; Wofsy, Steven C.

    2014-03-14

    The terrestrial ecosystems of North America have been identified as a sink of atmospheric CO2 though there is no consensus on the magnitude. However, the emissions of non-CO2 greenhouse gases (CH4 and N2O) may offset or even overturn the climate cooling effect induced by the CO2 sink. Using a coupled biogeochemical model, in this study, we have estimated the combined global warming potentials (GWP) of CO2, CH4 and N2O fluxes in North American terrestrial ecosystems and quantified the relative contributions of environmental factors to the GWP changes during 1979–2010. The uncertainty range for contemporary global warming potential has been quantifiedmore » by synthesizing the existing estimates from inventory, forward modeling, and inverse modeling approaches. Our “best estimate” of net GWP for CO2, CH4 and N2O fluxes was₋0.50 ± 0.27 Pg CO2 eq/year (1 Pg=1015 g) in North American terrestrial ecosystems during 2001–2010. The emissions of CH4 and N2O from terrestrial ecosystems had offset about two thirds (73% ± 14%) of the land CO2 sink in the North American continent, showing large differences across the three countries, with offset ratios of 57% ± 8% in US, 83% ± 17 % in Canada and 329% ± 119 % in Mexico. Climate change and elevated tropospheric ozone concentration have contributed the most to GWP increase, while elevated atmospheric CO2 concentration have contributed the most to GWP reduction. Extreme drought events over certain periods could result in a positive GWP. By integrating the existing estimates, we have found a wide range of uncertainty for the combined GWP. In conclusion, from both climate change science and policy perspectives, it is necessary to integrate ground and satellite observations with models for a more accurate accounting of these three greenhouse gases in North America.« less

  11. Intermolecular C?H bond activation of benzene and pyridines by a vanadium(III) alkylidene including a stepwise conversion of benzene to a vanadium-benzyne complex

    SciTech Connect

    Andino, Jos G.; Kilgore, Uriah J.; Pink, Maren; Ozarowski, Andrew; Krzystek, J.; Telser, Joshua; Baik, Mu-Hyun; Mindiola, Daniel J.

    2012-01-20

    Breaking of the carbon-hydrogen bond of benzene and pyridine is observed with (PNP)V(CH{sub 2}tBu){sub 2} (1), and in the case of benzene, the formation of an intermediate benzyne complex (C) is proposed, and indirect proof of its intermediacy is provided by identification of (PNP)VO({eta}{sup 2}-C{sub 6}H{sub 4}) in combination with DFT calculations.

  12. Airborne CH2O measurements over the North Atlantic during the 1997 NARE campaign: Instrument comparisons and distributions

    SciTech Connect

    Fried, Alan; Lee, Yin -Nan; Frost, Greg; Wert, Bryan; Henry, Bruce; Drummond, James R.; Hubler, Gerd; Jobson, Tom

    2002-02-27

    Here, formaldehyde measurements from two independent instruments are compared with photochemical box model calculations. The measurements were made on the NOAA P-3 aircraft as part of the 1997 North Atlantic Regional Experiment (NARE 1997). After examining the possible reasons for the model-measurement discrepancy, we conclude that there are probably one or more additional unknown sources of CH2O in the North Atlantic troposphere.

  13. Alternative current conduction mechanisms of organic-inorganic compound [N(CH{sub 3}){sub 3}H]{sub 2}ZnCl{sub 4}

    SciTech Connect

    Ben Bechir, M. Karoui, K.; Guidara, K.; Ben Rhaiem, A.; Tabellout, M.

    2014-04-21

    [N(CH{sub 3}){sub 3}H]{sub 2}ZnCl{sub 4} has been studied by X-ray powder diffraction patterns, differential scanning calorimetry (DSC), and impedance spectroscopy. The [N(CH{sub 3}){sub 3}H]{sub 2}ZnCl{sub 4} hybrid compound is crystallized at room temperature (T ? 300?K) in the orthorhombic system with Pnma space group. Five phase transitions (T{sub 1}?=?255?K, T{sub 2}?=?282?K, T{sub 3}?=?302?K, T{sub 4}?=?320?K, and T{sub 5}?=?346?K) have been proved by DSC measurements. The electrical technique was measured in the 10{sup ?1}-10{sup 7}?Hz frequency range and 233363?K temperature interval. The frequency dependence of alternative current (AC) conductivity is interpreted in terms of Jonscher's law. The AC electrical conduction in [N(CH{sub 3}){sub 3}H]{sub 2}ZnCl{sub 4} is analyzed by different processes, which can be attributed to several models: the correlated barrier hopping model in phase I, the overlapping large polaron tunneling model in phase II, the quantum mechanical tunneling model in phase IV, and the non-overlapping small polaron tunneling model in phases III, V, and VI. The conduction mechanism is studied with the help of Elliot's theory, and the Elliot's parameters are determined.

  14. Alternative current conduction mechanisms of organic-inorganic compound [N(CH{sub 3}){sub 3}H]{sub 2}CuCl{sub 4}

    SciTech Connect

    Ben Bechir, M. Karoui, K.; Guidara, K.; Ben Rhaiem, A.; Tabellout, M.

    2014-05-28

    The [N(CH{sub 3}){sub 3}H]{sub 2}CuCl{sub 4} single crystal has been analyzed by X-ray powder diffraction patterns, differential scanning calorimetry (DSC), and electrical impedance spectroscopy. [N(CH{sub 3}){sub 3}H]{sub 2}CuCl{sub 4} crystallizes at room temperature in the monoclinic system with P2{sub 1}/{sub C} space group. Three phase transitions at T{sub 1}?=?226?K, T{sub 2}?=?264?K, and T{sub 3}?=?297?K have been evidenced by DSC measurements. The electrical technique was measured in the 10{sup ?1}10{sup 7}?Hz frequency range and 203313?K temperature intervals. The frequency dependence of alternative current (AC) conductivity is interpreted in terms of Jonscher's law (developed). The AC electrical conduction in [N(CH{sub 3}){sub 3}H]{sub 2}CuCl{sub 4} compound is studied by two processes which can be attributed to a hopping transport mechanism: the correlated barrier hopping model in phases I, II, and III, the non-overlapping small polaron tunneling model in phase IV. The conduction mechanism is interpreted with the help of Elliot's theory, and the Elliot's parameters are found.

  15. Dissociative adsorption of CH{sub 3}X (X = Br and Cl) on a silicon(100) surface revisited by density functional theory

    SciTech Connect

    Wang, Chen-Guang; Huang, Kai E-mail: wji@ruc.edu.cn; Ji, Wei E-mail: wji@ruc.edu.cn

    2014-11-07

    During the dissociative adsorption on a solid surface, the substrate usually participates in a passive manner to accommodate fragments produced upon the cleavage of the internal bond(s) of a (transient) molecular adsorbate. This simple picture, however, neglects the flexibility of surface atoms. Here, we report a Density Functional Theory study to revisit our early studies of the dissociative adsorption of CH{sub 3}X (X = Br and Cl) on Si(100). We have identified a new reaction pathway, which involves a flip of a silicon dimer; this new pathway agrees better with experiments. For our main exemplar of CH{sub 3}Br, insights have been gained using a simple model that involves a three-atom reactive center, Br-C-Si. When the silicon dimer flips, the interaction between C and Si in the Br-C-Si center is enhanced, evident in the increased energy-split of the frontier orbitals. We also examine how the dissociation dynamics of CH{sub 3}Br is altered on a heterodimer (Si-Al, Si-P, and Si-Ge) in a Si(100) surface. In each case, we conclude, on the basis of computed reaction pathways, that no heterodimer flipping is involved before the system transverses the transition state to dissociative adsorption.

  16. Electron-hole diffusion lengths >175 μm in solution-grown CH3NH3PbI3 single crystals

    DOE PAGES [OSTI]

    Dong, Qingfeng; Fang, Yanjun; Shao, Yuchuan; Mulligan, Padhraic; Qiu, Jie; Cao, Lei; Huang, Jinsong

    2015-02-27

    Long, balanced electron and hole diffusion lengths greater than 100 nanometers in the polycrystalline organolead trihalide compound CH3NH3PbI3 are critical for highly efficient perovskite solar cells. We found that the diffusion lengths in CH3NH3PbI3 single crystals grown by a solution-growth method can exceed 175 micrometers under 1 sun (100 mW cm–2) illumination and exceed 3 millimeters under weak light for both electrons and holes. The internal quantum efficiencies approach 100% in 3-millimeter-thick single-crystal perovskite solar cells under weak light. These long diffusion lengths result from greater carrier mobility, longer lifetime, and much smaller trap densities in the single crystals thanmore »in polycrystalline thin films. As a result, the long carrier diffusion lengths enabled the use of CH3NH3PbI3 in radiation sensing and energy harvesting through the gammavoltaic effect, with an efficiency of 3.9% measured with an intense cesium-137 source.« less

  17. Electron-hole diffusion lengths >175 μm in solution-grown CH3NH3PbI3 single crystals

    DOE PAGES [OSTI]

    Dong, Qingfeng; Fang, Yanjun; Shao, Yuchuan; Mulligan, Padhraic; Qiu, Jie; Cao, Lei; Huang, Jinsong

    2015-02-27

    Long, balanced electron and hole diffusion lengths greater than 100 nanometers in the polycrystalline organolead trihalide compound CH3NH3PbI3 are critical for highly efficient perovskite solar cells. We found that the diffusion lengths in CH3NH3PbI3 single crystals grown by a solution-growth method can exceed 175 micrometers under 1 sun (100 mW cm–2) illumination and exceed 3 millimeters under weak light for both electrons and holes. The internal quantum efficiencies approach 100% in 3-millimeter-thick single-crystal perovskite solar cells under weak light. These long diffusion lengths result from greater carrier mobility, longer lifetime, and much smaller trap densities in the single crystals thanmore » in polycrystalline thin films. As a result, the long carrier diffusion lengths enabled the use of CH3NH3PbI3 in radiation sensing and energy harvesting through the gammavoltaic effect, with an efficiency of 3.9% measured with an intense cesium-137 source.« less

  18. CW EC-QCL-based sensor for simultaneous detection of H2O, HDO, N2O and CH4 using multi-pass absorption spectroscopy

    DOE PAGES [OSTI]

    Yu, Yajun; Sanchez, Nancy P.; Griffin, Robert J.; Tittel, Frank K.

    2016-05-03

    A sensor system based on a continuous wave, external-cavity quantum-cascade laser (CW EC-QCL) was demonstrated for simultaneous detection of atmospheric H2O, HDO, N2O and CH4 using a compact, dense pattern multi-pass gas cell with an effective path-length of 57.6 m. The EC-QCL with a mode-hop-free spectral range of 1225-1285 cm-1 operating at similar to 7.8 mu m was scanned covering four neighboring absorption lines, for H2O at 1281.161 cm-1, HDO at 1281.455 cm-1, N2O at 1281.53 cm-1 and CH4 at 1281.61 cm-1. A first-harmonic-normalized wavelength modulation spectroscopy with second-harmonic detection (WMS-2f/1f) strategy was employed for data processing. An Allan-Werle deviationmore » analysis indicated that minimum detection limits of 1.77 ppmv for H2O, 3.92 ppbv for HDO, 1.43 ppbv for N2O, and 2.2 ppbv for CH4 were achieved with integration times of 50-s, 50-s, 100-s and 129-s, respectively. In conclusion, experimental measurements of ambient air are also reported.« less

  19. Synthesis and X-ray diffraction study of (Cs{sub 0.5}Ba{sub 0.25})[UO{sub 2}(CH{sub 3}COO){sub 3}] and Ba{sub 0.5}[UO{sub 2}(CH{sub 3}COO){sub 3}

    SciTech Connect

    Serezhkina, L. B.; Vologzhanina, A. V.; Klepov, V. V.; Serezhkin, V. N.

    2011-03-15

    Uranyl triacetate complexes (Cs{sub 0.5}Ba{sub 0.25})[UO{sub 2}(CH{sub 3}COO){sub 3}] (I) and Ba{sub 0.5}[UO{sub 2}(CH{sub 3}COO){sub 3}] (II) are synthesized for the first time and their structures are determined by X-ray diffraction. Both compounds crystallize in the cubic crystal system. The crystal data are as follows: a = 17.3289(7) Angstrom-Sign , V = 5203.7(4) Angstrom-Sign {sup 3}, space group I2{sub 1}3 and Z = 16 (I); a = 17.0515(8) Angstrom-Sign , V = 4957.8(4) Angstrom-Sign {sup 3}, space group I 4 bar 3d, and Z = 16 (II). In I and II, as in all uranyl triacetates studied earlier, the coordination polyhedron of the uranium atom is a hexagonal bipyramid whose vertices are occupied by the oxygen atoms of the uranyl and three acetate groups. The uranium-containing group belongs to the AB{sub 3}{sup 01} (A = UO{sub 2}{sup 2+}, B{sup 01} = CH{sub 3}COO{sup -}) crystal chemical group of uranyl complexes. It was found that compound II is isostructural to the (Rb{sub 0.50}Ba{sub 0.25})[UO{sub 2}(CH{sub 3}COO){sub 3}] studied earlier.

  20. Ch 1 FN South

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    - CHAPTER 1 Alabama Arkansas Florida Georgia Kentucky Louisiana Mississippi New Mexico North Carolina Oklahoma South Carolina Tennessee Texas Page Intentionally Left Blank. Nationwide Public Safety Broadband Network Draft Programmatic Environmental Impact Statement for the Southern United States VOLUME 1 - CHAPTER 1 October 2016 First Responder Network Authority Amanda Goebel Pereira, AICP NEPA Coordinator First Responder Network Authority U.S. Department of Commerce 12201 Sunrise Valley Dr.

  1. Pub-3000: CH45

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    C. Transporting Hazardous Materials Work Process D. Berkeley Lab Chemical Management System (Chemical Inventory) Work Process E. Chemical Hazard Descriptions Work Process F....

  2. CH Packaging Program Guidance

    SciTech Connect

    None, None

    2006-04-25

    The purpose of this document is to provide the technical requirements for preparation for use, operation, inspection, and maintenance of a Transuranic Package TransporterModel II (TRUPACT-II), a HalfPACT shipping package, and directly related components. This document complies with the minimum requirements as specified in the TRUPACT-II Safety Analysis Report for Packaging (SARP), HalfPACT SARP, and U.S. Nuclear Regulatory Commission (NRC) Certificates of Compliance (C of C) 9218 and 9279, respectively. In the event of a conflict between this document and the SARP or C of C, the C of C shall govern. The C of Cs state: "each package must be prepared for shipment and operated in accordance with the procedures described in Chapter 7.0, Operating Procedures, of the application." They further state: "each package must be tested and maintained in accordance with the procedures described in Chapter 8.0, Acceptance Tests and Maintenance Program of the Application." Chapter 9.0 of the SARP charges the U.S. Department of Energy (DOE) or the Waste Isolation Pilot Plant| (WIPP) management and operating (M&O) contractor with assuring packaging is used in accordance with the requirements of the C of C. Because the packaging is NRC-approved, users need to be familiar with Title 10 Code of Federal Regulations(CFR) §71.8. Any time a user suspects or has indications that the conditions ofapproval in the C of C were not met, the Carlsbad Field Office (CBFO) shall be notified immediately. The CBFO will evaluate the issue and notify the NRC if required.In accordance with 10 CFR Part 71, certificate holders, packaging users, and contractors or subcontractors who use, design, fabricate, test, maintain, or modify the packaging shall post copies of (1) 10 CFR Part 21 regulations, (2) Section 206 of the Energy Reorganization Act of 1974, and (3) NRC Form 3, Notice to Employees. These documents must be posted in a conspicuous location where the activities subject to these regulations are conducted.

  3. CH Packaging Program Guidance

    SciTech Connect

    None, None

    2008-09-11

    The purpose of this document is to provide the technical requirements for preparation for use, operation, inspection, and maintenance of a Transuranic Package Transporter Model II (TRUPACT-II), a HalfPACT shipping package, and directly related components. This document complies with the minimum requirements as specified in the TRUPACT-II Safety Analysis Report for Packaging (SARP), HalfPACT SARP, and U.S. Nuclear Regulatory Commission (NRC) Certificates of Compliance (C of C) 9218 and 9279, respectively. In the event of a conflict between this document and the SARP or C of C, the C of C shall govern. The C of Cs state: "each package must be prepared for shipment and operated in accordance with the procedures described in Chapter 7.0, Operating Procedures, of the pplication." They further state: "each package must be tested and maintained in accordance with the procedures described in Chapter 8.0, Acceptance Tests and Maintenance Program of the Application." Chapter 9.0 of the SARP charges the U.S. Department of Energy (DOE) or the Waste Isolation Pilot Plant (WIPP) management and operating (M&O) contractor with assuring packaging is used in accordance with the requirements of the C of C. Because the packaging is NRC-approved, users need to be familiar with Title 10 Code of Federal Regulations (CFR) §71.8. Any time a user suspects or has indications that the conditions of approval in the C of C were not met, the Carlsbad Field Office (CBFO) shall be notified immediately. The CBFO will evaluate the issue and notify the NRC if required. In accordance with 10 CFR Part 71, certificate holders, packaging users, and contractors or subcontractors who use, design, fabricate, test, maintain, or modify the packaging shall post copies of (1) 10 CFR Part 21 regulations, (2) Section 206 of the Energy Reorganization Act of 1974, and (3) NRC Form 3, Notice to Employees. These documents must be posted in a conspicuous location where the activities subject to these regulations are conducted. This document provides the instructions to be followed to operate, maintain, and test the TRUPACT-II and HalfPACT packaging. The intent of these instructions is to standardize operations. All users will follow these instructions or equivalent instructions that assure operations are safe and meet the requirements of the SARPs.

  4. CH Packaging Program Guidance

    SciTech Connect

    None, None

    2007-12-13

    The purpose of this document is to provide the technical requirements for preparation for use, operation, inspection, and maintenance of a Transuranic Package Transporter Model II (TRUPACT-II), a HalfPACT shipping package, and directly related components. This document complies with the minimum requirements as specified in the TRUPACT-II Safety Analysis Report for Packaging (SARP), HalfPACT SARP, and U.S. Nuclear Regulatory Commission (NRC) Certificates of Compliance (C of C) 9218 and 9279, respectively. In the event of a conflict between this document and the SARP or C of C, the C of C shall govern. The C of Cs state: "each package must be prepared for shipment and operated in accordance with the procedures described in Chapter 7.0, Operating Procedures, of the application." They further state: "each package must be tested and maintained in accordance with the procedures described in Chapter 8.0, Acceptance Tests and Maintenance Program of the Application." Chapter 9.0 of the SARP charges the U.S. Department of Energy (DOE) or the Waste Isolation Pilot Plant (WIPP) management and operating (M&O) contractor with assuring packaging is used in accordance with the requirements of the C of C. Because the packaging is NRC-approved, users need to be familiar with Title 10 Code of Federal Regulations (CFR) §71.8. Any time a user suspects or has indications that the conditions of approval in the C of C were not met, the Carlsbad Field Office (CBFO) shall be notified immediately. The CBFO will evaluate the issue and notify the NRC if required.In accordance with 10 CFR Part 71, certificate holders, packaging users, and contractors or subcontractors who use, design, fabricate, test, maintain, or modify the packaging shall post copies of (1) 10 CFR Part 21 regulations, (2) Section 206 of the Energy Reorganization Act of 1974, and (3) NRC Form 3, Notice to Employees. These documents must be posted in a conspicuous location where the activities subject to these regulations are conducted.

  5. CH Packaging Program Guidance

    SciTech Connect

    None, None

    2009-06-01

    The purpose of this document is to provide the technical requirements for preparation for use, operation, inspection, and maintenance of a Transuranic Package Transporter Model II (TRUPACT-II), a HalfPACT shipping package, and directly related components. This document complies with the minimum requirements as specified in the TRUPACT-II Safety Analysis Report for Packaging (SARP), HalfPACT SARP, and U.S. Nuclear Regulatory Commission (NRC) Certificates of Compliance (C of C) 9218 and 9279, respectively. In the event of a conflict between this document and the SARP or C of C, the C of C shall govern. The C of Cs state: "each package must be prepared for shipment and operated in accordance with the procedures described in Chapter 7.0, Operating Procedures, of the application." They further state: "each package must be tested and maintained in accordance with the procedures described in Chapter 8.0, Acceptance Tests and Maintenance Program of the Application." Chapter 9.0 of the SARP charges the U.S. Department of Energy (DOE) or the Waste Isolation Pilot Plant (WIPP) management and operating (M&O) contractor with assuring packaging is used in accordance with the requirements of the C of C. Because the packaging is NRC-approved, users need to be familiar with Title 10 Code of Federal Regulations (CFR) §71.8. Any time a user suspects or has indications that the conditions of approval in the C of C were not met, the Carlsbad Field Office (CBFO) shall be notified immediately. The CBFO will evaluate the issue and notify the NRC if required. In accordance with 10 CFR Part 71, certificate holders, packaging users, and contractors or subcontractors who use, design, fabricate, test, maintain, or modify the packaging shall post copies of (1) 10 CFR Part 21 regulations, (2) Section 206 of the Energy Reorganization Act of 1974, and (3) NRC Form 3, Notice to Employees. These documents must be posted in a conspicuous location where the activities subject to these regulations are conducted. This document provides the instructions to be followed to operate, maintain, and test the TRUPACT-II and HalfPACT packaging. The intent of these instructions is to standardize operations. All users will follow these instructions or equivalent instructions that assure operations are safe and meet the requirements of the SARPs.

  6. CH Packaging Program Guidance

    SciTech Connect

    Washington TRU Solutions LLC

    2005-02-28

    The purpose of this document is to provide the technical requirements for preparation for use, operation, inspection, and maintenance of a Transuranic Package Transporter Model II (TRUPACT-II), a HalfPACT shipping package, and directly related components. This document complies with the minimum requirements as specified in the TRUPACT-II Safety Analysis Report for Packaging (SARP), HalfPACT SARP, and U.S. Nuclear Regulatory Commission (NRC) Certificates of Compliance (C of C) 9218 and 9279, respectively. In the event of a conflict between this document and the SARP or C of C, the C of C shall govern. The C of Cs state: "each package must be prepared for shipment and operated in accordance with the procedures described in Chapter 7.0, Operating Procedures, of the application." They further state: "each package must be tested and maintained in accordance with the procedures described in Chapter 8.0, Acceptance Tests and Maintenance Program of the Application." Chapter 9.0 of the SARP charges the Waste Isolation Pilot Plant (WIPP) management and operating (M&O) contractor with assuring packaging is used in accordance with the requirements of the C of C. Because the packaging is NRC-approved, users need to be familiar with Title 10 Code of Federal Regulations (CFR) §71.8. Any time a user suspects or has indications that the conditions of approval in the C of C were not met, the Carlsbad Field Office (CBFO) shall be notified immediately. The CBFO will evaluate the issue and notify the NRC if required.

  7. CH Packaging Program Guidance

    SciTech Connect

    Washington TRU Solutions LLC

    2003-04-30

    The purpose of this document is to provide the technical requirements for preparation for use, operation, inspection, and maintenance of a Transuranic Package Transporter Model II (TRUPACT-II), a HalfPACT shipping package, and directly related components. This document complies with the minimum requirements as specified in the TRUPACT-II Safety Analysis Report for Packaging (SARP), HalfPACT SARP, and Nuclear Regulatory Commission (NRC) Certificates of Compliance (C of C) 9218 and 9279, respectively. In the event of a conflict between this document and the SARP or C of C, the C of C shall govern. The C of Cs state: ''each package must be prepared for shipment and operated in accordance with the procedures described in Chapter 7.0, Operating Procedures, of the application.'' They further state: ''each package must be tested and maintained in accordance with the procedures described in Chapter 8.0, Acceptance Tests and Maintenance Program of the Application.'' Chapter 9.0 of the SARP charges the WIPP management and operating (M&O) contractor with assuring packaging is used in accordance with the requirements of the C of C. Because the packaging is NRC-approved, users need to be familiar with 10 CFR 71.11. Any time a user suspects or has indications that the conditions of approval in the C of C were not met, the Carlsbad Field Office (CBFO) shall be notified immediately. CBFO will evaluate the issue and notify the NRC if required. This document provides the instructions to be followed to operate, maintain, and test the TRUPACT-II and HalfPACT packaging. The intent of these instructions is to standardize operations. All users will follow these instructions or equivalent instructions that assure operations are safe and meet the requirements of the SARPs.

  8. CH Packaging Program Guidance

    SciTech Connect

    Washington TRU Solutions LLC

    2002-03-04

    The purpose of this document is to provide the technical requirements for preparation for use, operation, inspection, and maintenance of a Transuranic Package Transporter Model II (TRUPACT-II), a HalfPACT Shipping Package, and directly related components. This document complies with the minimum requirements as specified in TRUPACT-II Safety Analysis Report for Packaging (SARP), HalfPACT SARP, and Nuclear Regulatory Commission (NRC) Certificates of Compliance (C of C) 9218 and 9279, respectively. In the event there is a conflict between this document and the SARP or C of C, the SARP and/or C of C shall govern. C of Cs state: ''each package must be prepared for shipment and operated in accordance with the procedures described in Chapter 7.0, Operating Procedures, of the application.'' They further state: ''each package must be tested and maintained in accordance with the procedures described in Chapter 8.0, Acceptance Tests and Maintenance Program of the Application.'' Chapter 9.0 of the SAR P charges the WIPP Management and Operation (M&O) contractor with assuring packaging is used in accordance with the requirements of the C of C. Because the packaging is NRC-approved, users need to be familiar with 10 CFR 71.11. Any time a user suspects or has indications that the conditions of approval in the C of C were not met, the Carlsbad Field Office (CBFO) shall be notified immediately. CBFO will evaluate the issue and notify the NRC if required. This document details the instructions to be followed to operate, maintain, and test the TRUPACT-II and HalfPACT packaging. The intent of these instructions is to standardize these operations. All users will follow these instructions or equivalent instructions that assure operations are safe and meet the requirements of the SARPs.

  9. Ultrafast dynamics of strong-field dissociative ionization ofCH2Br2 probed by femtosecond soft x-ray transient absorptionspectroscopy

    SciTech Connect

    Loh, Zhi-Heng; Leone, Stephen R.

    2008-01-15

    Femtosecond time-resolved soft x-ray transient absorption spectroscopy based on a high-order harmonic generation source is used to investigate the dissociative ionization of CH{sub 2}Br{sub 2} induced by 800 nm strong-field irradiation. At moderate peak intensities (2.0 x 10{sup 14} W/cm{sup 2}), strong-field ionization is accompanied by ultrafast C-Br bond dissociation, producing both neutral Br ({sup 2}P{sub 3/2}) and Br* ({sup 2}P{sub 1/2}) atoms together with the CH{sub 2}Br{sup +} fragment ion. The measured rise times for Br and Br* are 130 {+-} 22 fs and 74 {+-} 10 fs, respectively. The atomic bromine quantum state distribution shows that the Br/Br* population ratio is 8.1 {+-} 3.8 and that the Br {sup 2}P{sub 3/2} state is not aligned. The observed product distribution and the timescales of the photofragment appearances suggest that multiple field-dressed potential energy surfaces are involved in the dissociative ionization process. In addition, the transient absorption spectrum of CH{sub 2}Br{sub 2}{sup +} suggests that the alignment of the molecule relative to the polarization axis of the strong-field ionizing pulse determines the electronic symmetry of the resulting ion; alignment of the Br-Br, H-H, and C{sub 2} axis of the molecule along the polarization axis results in the production of the ion {tilde X}({sup 2}B{sub 2}), {tilde B}({sup 2}B{sub 1}) and {tilde C}({sup 2}A{sub 1}) states, respectively. At higher peak intensities (6.2 x 10{sup 14} W/cm{sup 2}), CH{sub 2}Br{sub 2}{sup +} undergoes sequential ionization to form the metastable CH{sub 2}Br{sub 2}{sup 2+} dication. These results demonstrate the potential of core-level probing with high-order harmonic transient absorption spectroscopy for studying ultrafast molecular dynamics.

  10. Impacts of the Niigataken Chūetsu-Oki Earthquake to the Kashiwazaki-Kariwa Nuclear Power Plant, Post-Earthquake Response, and Lessons Learned: U.S. Perspective for Design Basis Earthquakes and Beyond Design Basis Earthquakes

    Energy.gov [DOE]

    Impacts of the Niigataken Chūetsu-Oki Earthquake to the Kashiwazaki-Kariwa Nuclear Power Plant, Post-Earthquake Response, and Lessons Learned: U.S. Perspective for Design Basis Earthquakes and Beyond Design Basis Earthquakes

  11. Electronic properties of binary and mixed [RMNH]{sub n} (R=H,CH{sub 3}, M=Al,Ga,In) oligomers

    SciTech Connect

    Oranskaya, A. A. Pomogaeva, A. V. Timoshkin, A. Y.

    2015-03-30

    Theoretical investigation of structural and electronic properties is presented for the rod-like oligomers R{sub 3}-[MRNH]{sub 3n}-H{sub 3} and [RMNH]{sub n+1} (M=Ga,Al,In R=H,CH{sub 3}) of different lengths. Electronic structures of the oligomers with and without substitutions of Ga atoms with Al or In were studied at DFT level of theory. Clusters up to 8 nm of length were considered. A type of terminal groups of the oligomers is found to have a dominant influence on their electronic properties.

  12. Assessment of Standard Force Field Models against High-Quality ab initio Potential Curves for Prototypes of pi-pi, CH/pi, and SH/pi Interactions

    SciTech Connect

    Sumpter, Bobby G; Sherrill, David; Sinnokrot, Mutasem O; Marshall, Michael S.; Hohenstein, Edward G.; Walker, Ross; Gould, Ian R

    2009-01-01

    Several popular force fields, namely, CHARMM, AMBER, OPLS-AA, and MM3, have been tested for their ability to reproduce highly accurate quantum mechani- cal potential energy curves for noncovalent interactions in the benzene dimer, the benzene-CH4 complex, and the benzene-H2S complex. All of the force fields are semi-quantitatively correct, but none of them is consistently reliable quantitatively. Re-optimization of Lennard-Jones parameters and symmetry-adapted perturbation theory analysis for the benzene dimer suggests that better agreement cannot be expected unless more flexible functional forms (particularly for the electrostatic contributions)are employed for the empirical force fields.

  13. Chemical, FT-IR, and EXAFS study of the interaction between HFe/sub 4/(CH)(CO)/sup 12/ and partially dehydroxylated alumina

    SciTech Connect

    Drezdzon, M.A.; Tessier-Youngs, C.; Woodcock, C.; Blonsky, P.M.; Leal, O.; Teo, B.K.; Burwell, R.L. Jr.; Shriver, D.F.

    1985-07-17

    The initial reaction of HFe/sub 4/(CH)(CO)/sub 12/ with partially dehydroxylated alumina produces (HFe/sub 4/(C)(CO)/sub 12/)/sup -/, which is bound to the surface. Evolution of CO occurs slowly by extensive loss of CO from a small number of cluster molecules. This process leads to the coexistence of intact (HFe/sub 4/(C)(CO)/sub 12/)/sup -/ plus an iron or iron carbide like species. In keeping with this interpretation, the supported material displays activities for the reduction of Co and the hydrogenation of benzene and product distributions that are typical of iron metal.

  14. Inside the Crystal Ball: New Approaches...

    Energy Information Administration (EIA) (indexed site)

    ... than the no-change forecast. 2 Because gasoline ... of the price of crude oil with both prices moving together in the long run (see, ... them to the short-term nominal gasoline ...

  15. Free Floating Atmospheric Pressure Ball Plasmas

    U.S. Department of Energy (DOE) - all webpages (Extended Search)

    ... the lab * Jim Tuck, an early pioneer in fusion research, played with trying to make BL, ... of a weak surface force in a cold plasma containing positive ion- negative ion dipoles. ...

  16. Theoretical description of Coulomb balls: Fluid phase

    SciTech Connect

    Wrighton, J.; Dufty, J. W.; Kaehlert, H.; Bonitz, M.

    2009-12-15

    A theoretical description for the radial density profile of a finite number of identical charged particles confined in a harmonic trap is developed for application over a wide range of Coulomb coupling (or, equivalently, temperatures) and particle numbers. A simple mean-field approximation neglecting correlations yields a density profile which is monotonically decreasing with radius for all temperatures, in contrast to molecular dynamics simulations and experiments showing shell structure at lower temperatures. A more complete theoretical description including charge correlations is developed here by an extension of the hypernetted chain approximation, developed for bulk fluids, to the confined charges. The results reproduce all of the qualitative features observed in molecular dynamics simulations and experiments. These predictions are then tested quantitatively by comparison with benchmark Monte Carlo simulations. Quantitative accuracy of the theory is obtained by correcting the hypernetted chain approximation with a representation for the associated bridge functions.

  17. Ball assisted device for analytical surface sampling

    SciTech Connect

    ElNaggar, Mariam S; Van Berkel, Gary J; Covey, Thomas R

    2015-11-03

    A system for sampling a surface includes a sampling probe having a housing and a socket, and a rolling sampling sphere within the socket. The housing has a sampling fluid supply conduit and a sampling fluid exhaust conduit. The sampling fluid supply conduit supplies sampling fluid to the sampling sphere. The sampling fluid exhaust conduit has an inlet opening for receiving sampling fluid carried from the surface by the sampling sphere. A surface sampling probe and a method for sampling a surface are also disclosed.

  18. Quasiclassical trajectory study of the effect of antisymmetric stretch mode excitation on the O({sup 3}P) + CH{sub 4}(ν{sub 3} = 1) → OH + CH{sub 3} reaction on an analytical potential energy surface. Comparison with experiment

    SciTech Connect

    Monge-Palacios, M.; González-Lavado, E.; Espinosa-Garcia, J.

    2014-09-07

    Motivated by a recent crossed-beam experiment on the title reaction reported by Pan and Liu [J. Chem. Phys. 140, 191101 (2014)], a detailed dynamics study was performed at three collision energies using quasiclassical trajectory (QCT) calculations based on a full-dimensional potential energy surface recently developed by our group (PES-2014). Although theory/experiment agreement is not yet quantitative, in general the theoretical results reproduce the experimental evidence: the vibrational branching ratio of OH(v = 1)/OH(v = 0) is ∼0.8/0.2, excitation of the antisymmetric CH stretching mode in methane increases reactivity by factor 2.28–1.50, although an equivalent amount as translational energy is more efficient in promoting the reaction and, finally, product angular distribution shifts from backward in the CH{sub 4}(ν = 0) ground-state to sideways when the antisymmetric CH stretching mode is excited. These results give confidence to the PES-2014 surface, depend on the quantization procedure used, are comparable with recent QCT calculations or improve previous theoretical studies using a different surface, and demonstrate the utility of the theory/experiment collaboration.

  19. Influence of in-plane and bridging oxygen vacancies of SnO{sub 2} nanostructures on CH{sub 4} sensing at low operating temperatures

    SciTech Connect

    Bonu, Venkataramana Das, A. Prasad, Arun K.; Dhara, Sandip; Tyagi, A. K.; Krishna, Nanda Gopala

    2014-12-15

    Role of O defects in sensing pollutant with nanostructured SnO{sub 2} is not well understood, especially at low temperatures. SnO{sub 2} nanoparticles were grown by soft chemistry route followed by subsequent annealing treatment under specific conditions. Nanowires were grown by chemical vapor deposition technique. A systematic photoluminescence (PL) investigation of O defects in SnO{sub 2} nanostructures revealed a strong correlation between shallow donors created by the in-plane and the bridging O vacancies and gas sensing at low temperatures. These SnO{sub 2} nanostructures detected methane (CH{sub 4}), a reducing and green house gas at a low temperature of 50?C. Response of CH{sub 4} was found to be strongly dependent on surface defect in comparison to surface to volume ratio. Control over O vacancies during the synthesis of SnO{sub 2} nanomaterials, as supported by X-ray photoelectron spectroscopy and subsequent elucidation for low temperature sensing are demonstrated.

  20. Differentiation of O-H and C-H Bond Scission Mechanisms of Ethylene Glycol on Pt and Ni/Pt Using Theory and Isotopic Labeling Experiments

    SciTech Connect

    Salciccioli, Michael [Univ. of Delaware, Newark, DE (United States). Catalysis Center for Energy Innovation (CCEI) and Center for Catalytic Science and Technology (CCST); Yu, Weiting [Univ. of Delaware, Newark, DE (United States). Catalysis Center for Energy Innovation (CCEI) and Center for Catalytic Science and Technology (CCST); Barteau, Mark A. [Univ. of Delaware, Newark, DE (United States). Catalysis Center for Energy Innovation (CCEI) and Center for Catalytic Science and Technology (CCST); Chen, Jingguang G. [Univ. of Delaware, Newark, DE (United States). Catalysis Center for Energy Innovation (CCEI) and Center for Catalytic Science and Technology (CCST); Vlachos, Dionisios G. [Univ. of Delaware, Newark, DE (United States). Catalysis Center for Energy Innovation (CCEI) and Center for Catalytic Science and Technology (CCST)

    2011-05-25

    Understanding and controlling bond-breaking sequences of oxygenates on transition metal catalysts can greatly impact the utilization of biomass feedstocks for fuels and chemicals. The decomposition of ethylene glycol, as the simplest representative of biomass-derived polyols, was studied via density functional theory (DFT) calculations to identify the differences in reaction pathways between Pt and the more active Ni/Pt bimetallic catalyst. Comparison of the computed transition states indicated three potentially feasible paths from ethylene glycol to C1 oxygenated adsorbates on Pt. While not important on Pt, the pathway to 1,2-dioxyethylene (OCH?CH?O) is favored energetically on the Ni/Pt catalyst. Temperature-programmed desorption (TPD) experiments were conducted with deuterated ethylene glycols for comparison with DFT results. These experiments confirmed that decomposition of ethylene glycol on Pt proceeds via initial OH bond cleavage, followed by CH and the second OH bond cleavages, whereas on the Ni/Pt surface, both OH bonds are cleaved initially. The results are consistent with vibrational spectra and indicate that tuning of the catalyst surface can selectively control bond breaking. Finally, the significant mechanistic differences in decomposition of polyols compared to that of monoalcohols and hydrocarbons serve to identify general trends in bond scission sequences.

  1. Spectroscopic analysis of H{sub 2}/CH{sub 4} microwave plasma and fast growth rate of diamond single crystal

    SciTech Connect

    Derkaoui, N.; Rond, C. Hassouni, K.; Gicquel, A.

    2014-06-21

    One of the best ways to increase the diamond growth rate is to couple high microwave power to the plasma. Indeed, increasing the power density leads to increase gas temperature the atomic hydrogen density in the plasma bulk, and to produce more hydrogen and methyl at the diamond surface. Experimental and numerical approaches were used to study the microwave plasma under high power densities conditions. Gas temperature was measured by optical emission spectroscopy and H-atom density using actinometry. CH{sub 3}-radical density was obtained using a 1D model that describes temperatures and plasma composition from the substrate to the top of the reactor. The results show that gas temperature in the plasma bulk, atomic hydrogen, and methyl densities at the diamond surface highly increase with the power density. As a consequence, measurements have shown that diamond growth rate also increases. At very high power density, we measured a growth rate of 40??m/h with an H-atom density of 5 10{sup 17} cm{sup ?3} which corresponds to a H{sub 2} dissociation rate higher than 50%. Finally, we have shown that the growth rate can be framed between a lower and an upper limit as a function depending only on the maximum of H-atom density measured or calculated in the plasma bulk. The results also demonstrated that increasing fresh CH{sub 4} by an appropriate injection into the boundary layer is a potential way to increase the diamond growth rates.

  2. C-H surface diamond field effect transistors for high temperature (400 °C) and high voltage (500 V) operation

    SciTech Connect

    Kawarada, H.; Tsuboi, H.; Naruo, T.; Yamada, T.; Xu, D.; Daicho, A.; Saito, T.; Hiraiwa, A.

    2014-07-07

    By forming a highly stable Al{sub 2}O{sub 3} gate oxide on a C-H bonded channel of diamond, high-temperature, and high-voltage metal-oxide-semiconductor field-effect transistor (MOSFET) has been realized. From room temperature to 400 °C (673 K), the variation of maximum drain-current is within 30% at a given gate bias. The maximum breakdown voltage (V{sub B}) of the MOSFET without a field plate is 600 V at a gate-drain distance (L{sub GD}) of 7 μm. We fabricated some MOSFETs for which V{sub B}/L{sub GD} > 100 V/μm. These values are comparable to those of lateral SiC or GaN FETs. The Al{sub 2}O{sub 3} was deposited on the C-H surface by atomic layer deposition (ALD) at 450 °C using H{sub 2}O as an oxidant. The ALD at relatively high temperature results in stable p-type conduction and FET operation at 400 °C in vacuum. The drain current density and transconductance normalized by the gate width are almost constant from room temperature to 400 °C in vacuum and are about 10 times higher than those of boron-doped diamond FETs.

  3. Inductively coupled plasma-reactive ion etching of InSb using CH{sub 4}/H{sub 2}/Ar plasma

    SciTech Connect

    Zhang Guodong; Sun Weiguo; Xu Shuli; Zhao Hongyan; Su Hongyi; Wang Haizhen

    2009-07-15

    InSb is an important material for optoelectronic devices. Most InSb devices are currently wet etched, and the etching geometries are limited due to the isotropic nature of wet etching. Inductively coupled plasma (ICP)-reactive ion etching (RIE) is a more desirable alternative because it offers a means of producing small anisotropic structures especially needed in large format infrared focal plane arrays. This work describes the novel use of ICP-RIE for fabricating InSb mesas with CH{sub 4}/H{sub 2}/Ar plasma and presents the influences of the process parameters on the etch rate and surface morphology. The parameters investigated include bias radio frequency power (50-250 W), %CH{sub 4} in H{sub 2} (10-50), argon (Ar) partial pressure (0-0.3 Pa with total pressure of 1.0 Pa), and total pressure (0.35-4 Pa). With the process parameters optimized in this investigated ranges, good etching results have been achieved with etch rates up to 80 nm/min, and etch features with sidewall angles of about 80 degree sign , the etched surface is as smooth as before the RIE process.

  4. Communication: Oscillating charge migration between lone pairs persists without significant interaction with nuclear motion in the glycine and Gly-Gly-NH-CH{sub 3} radical cations

    SciTech Connect

    Vacher, Morgane; Bearpark, Michael J.; Robb, Michael A.

    2014-05-28

    Coupled electron-nuclear dynamics has been studied, using the Ehrenfest method, for four conformations of the glycine molecule and a single conformation of Gly-Gly-NH-CH{sub 3}. The initial electronic wavepacket was a superposition of eigenstates corresponding to ionization from the σ lone pairs associated with the carbonyl oxygens and the amine nitrogen. For glycine, oscillating charge migration (when the nuclei were frozen) was observed for the 4 conformers studied with periods ranging from 2 to 5 fs, depending on the energy gap between the lone pair cationic states. When coupled nuclear motion was allowed (which was mainly NH{sub 2} partial inversion), the oscillations hardly changed. For Gly-Gly-NH-CH{sub 3}, charge migration between the carbonyl oxygens and the NH{sub 2} lone pair can be observed with a period similar to glycine itself, also without interaction with nuclear motion. These simulations suggest that charge migration between lone pairs can occur independently of the nuclear motion.

  5. Accurate high level ab initio-based global potential energy surface and dynamics calculations for ground state of CH{sub 2}{sup +}

    SciTech Connect

    Li, Y. Q.; Zhang, P. Y.; Han, K. L.

    2015-03-28

    A global many-body expansion potential energy surface is reported for the electronic ground state of CH{sub 2}{sup +} by fitting high level ab initio energies calculated at the multireference configuration interaction level with the aug-cc-pV6Z basis set. The topographical features of the new global potential energy surface are examined in detail and found to be in good agreement with those calculated directly from the raw ab initio energies, as well as previous calculations available in the literature. In turn, in order to validate the potential energy surface, a test theoretical study of the reaction CH{sup +}(X{sup 1}Σ{sup +})+H({sup 2}S)→C{sup +}({sup 2}P)+H{sub 2}(X{sup 1}Σ{sub g}{sup +}) has been carried out with the method of time dependent wavepacket on the title potential energy surface. The total integral cross sections and the rate coefficients have been calculated; the results determined that the new potential energy surface can both be recommended for dynamics studies of any type and as building blocks for constructing the potential energy surfaces of larger C{sup +}/H containing systems.

  6. Structures and phases transition in hexylenediammonium pentachlorobismuthate (III) [NH{sub 3}(CH{sub 2}){sub 6}NH{sub 3}]BiCl{sub 5} crystal

    SciTech Connect

    Ouasri, A.; Jeghnou, H.; Rhandour, A.; Roussel, P.

    2013-04-15

    The crystal structure of [NH{sub 3}(CH{sub 2}){sub 6}NH{sub 3}]BiCl{sub 5} was determined at: 223 K [P2{sub 1}2{sub 1}2{sub 1} (Z=4), a=7.788(1), b=13.886(2), c=13.972(2) Å], 308 K [P2{sub 1}/n (Z=8), a=19.972(3), b=7.772(2), c=20.166(3) Å, β=92.32(1)°] and 378 K [Pnma (Z=4), a=13911(2), b=7.834(7), c=14.457(2) Å]. It was consisted of isolated (BiCl{sub 5}{sup 2−}){sub n} anionic chains composed by distorted octahedra BiCl{sub 6}{sup 3−} sharing two corners and {sup +}NH{sub 3}(CH{sub 2}){sub 6}NH{sub 3}{sup +} cations placed in the free cavities between anionic chains. In the β phase, there are two crystallographically inequivalent cations and two one-dimensional anionic chains (BiCl{sub 5}{sup 2−}){sub n} in which BiCl{sub 6}{sup 3−} octahedra was doubly tilted and simply tilted. Two structural phase transitions at low and high temperatures α (P2{sub 1}2{sub 1}2{sub 1}, 223 K)↔β (P2{sub 1}/n, 308 K)↔γ (Pnma, 373 K) are observed and discussed. It was crystallographically showed that both anionic and cationic entities contribute to phase transitions mechanisms. The BiCl{sub 6}{sup 3−} octahedra were found to posses significant distortions on decreasing temperature and became more distorted in α (223 K) phase. It is argued that these deformations are caused by weak to moderate N--H···Cl hydrogen bonding. - Graphical abstract: Projection of the crystal structure of [NH{sub 3}(CH{sub 2}){sub 6}NH{sub 3}]BiCl{sub 5} down the a axis at 208 K. Highlights: ► The crystal shows two phase transitions: α(223 K)↔β(308 K)↔γ(373 K). ► A discontinuous transition may be occurred between α and β phases. ► The α↔β and β↔γ phase transitions are of first order. ► Both anionic and cationic motions contribute to phase transition mechanisms. ► The BiCl{sub 6}{sup 3−} octahedra showed significant distortions on decreasing temperature.

  7. A permutationally invariant full-dimensional ab initio potential energy surface for the abstraction and exchange channels of the H + CH{sub 4} system

    SciTech Connect

    Li, Jun E-mail: zhangdh@dicp.ac.cn; Chen, Jun; Zhao, Zhiqiang; Zhang, Dong H. E-mail: zhangdh@dicp.ac.cn; Xie, Daiqian; Guo, Hua

    2015-05-28

    We report a permutationally invariant global potential energy surface (PES) for the H + CH{sub 4} system based on ∼63 000 data points calculated at a high ab initio level (UCCSD(T)-F12a/AVTZ) using the recently proposed permutation invariant polynomial-neural network method. The small fitting error (5.1 meV) indicates a faithful representation of the ab initio points over a large configuration space. The rate coefficients calculated on the PES using tunneling corrected transition-state theory and quasi-classical trajectory are found to agree well with the available experimental and previous quantum dynamical results. The calculated total reaction probabilities (J{sub tot} = 0) including the abstraction and exchange channels using the new potential by a reduced dimensional quantum dynamic method are essentially the same as those on the Xu-Chen-Zhang PES [Chin. J. Chem. Phys. 27, 373 (2014)].

  8. Low Surface Recombination Velocity in Solution-Grown CH3NH3PbBr3 Perovskite Single Crystal

    SciTech Connect

    Yang, Ye; Yan, Yong; Yang, Mengjin; Choi, Sukgeun; Zhu, Kai; Luter, Joseph M.; Beard, Matthew C.

    2015-08-06

    Organic-inorganic hybrid perovskites are attracting intense research effort due to their impressive performance in solar cells. While the carrier transport parameters such as mobility and bulk carrier lifetime shows sufficient characteristics, the surface recombination, which can have major impact on the solar cell performance, has not been studied. Here we measure surface recombination dynamics in CH3NH3PbBr3 perovskite single crystals using broadband transient reflectance spectroscopy. The surface recombination velocity is found to be 3.4±0.1 103 cm s-1, B2–3 orders of magnitude lower than that in many important unpassivated semiconductors employed in solar cells. Our result suggests that the planar grain size for the perovskite thin films should be larger thanB30 mm to avoid the influence of surface recombination on the effective carrier lifetime.

  9. Simplification of femtosecond transient absorption microscopy data from CH3NH3PbI3 perovskite thin films into decay associated amplitude maps

    DOE PAGES [OSTI]

    Doughty, Benjamin; Simpson, Mary Jane; Yang, Bin; Xiao, Kai; Ma, Ying -Zhong

    2016-02-16

    This work aims to simplify multi-dimensional femtosecond transient absorption microscopy (TAM) data into decay associated amplitude maps that describe the spatial distributions of dynamical processes occurring on various characteristic timescales. Application of this method to TAM data obtained from a model methyl-ammonium lead iodide (CH3NH3PbI3) perovskite thin film allows us to simplify the dataset consisting of a 68 time-resolved images into 4 decay associated amplitude maps. These maps provide a simple means to visualize the complex electronic excited-state dynamics in this system by separating distinct dynamical processes evolving on characteristic timescales into individual spatial images. This approach provides new insightmore » into subtle aspects of ultrafast relaxation dynamics associated with excitons and charge carriers in the perovskite thin film, which have recently been found to coexist at spatially distinct locations.« less

  10. van der Waals forces and confinement in carbon nanopores: Interaction between CH4, COOH, NH3, OH, SH and single-walled carbon nanotubes

    DOE PAGES [OSTI]

    Weck, Philippe F.; Kim, Eunja; Wang, Yifeng

    2016-04-13

    Interactions between CH4, COOH, NH3, OH, SH and armchair (n,n)(n=4,7,14) and zigzag (n,0)(n=7,12,25) single-walled carbon nanotubes (SWCNTs) have been systematically investigated within the framework of dispersion-corrected density functional theory (DFT-D2). Endohedral and exohedral molecular adsorption on SWCNT walls is energetically unfavorable or weak, despite the use of C6/r6 pairwise London-dispersion corrections. The effects of pore size and chirality on the molecule/SWCNTs interaction were also assessed. Furthermore, chemisorption of COOH, NH3, OH and SH at SWCNT edge sites was examined using a H-capped (7,0) SWCNT fragment and its impact on electrophilic, nucleophilic and radical attacks was predicted by means of Fukuimore » functions.« less

  11. Qualifying composition dependent p and n self-doping in CH{sub 3}NH{sub 3}PbI{sub 3}

    SciTech Connect

    Wang, Qi; Shao, Yuchuan; Huang, Jinsong; Xie, Haipeng; Lyu, Lu; Liu, Xiaoliang; Gao, Yongli

    2014-10-20

    We report the observation of self-doping in perovskite. CH{sub 3}NH{sub 3}PbI{sub 3} was found to be either n- or p-doped by changing the ratio of methylammonium halide (MAI) and lead iodine (PbI{sub 2}) which are the two precursors for perovskite formation. MAI-rich and PbI{sub 2}-rich perovskite films are p and n self-doped, respectively. Thermal annealing can convert the p-type perovskite to n-type by removing MAI. The carrier concentration varied as much as six orders of magnitude. A clear correlation between doping level and device performance was also observed.

  12. Analysis of the microwave, terahertz, and far infrared spectra of monodeuterated methanol CH{sub 2}DOH up to J = 26, K = 11, and o{sub 1}

    SciTech Connect

    Coudert, L. H.; Zemouli, M.; Motiyenko, R. A.; Margulès, L.; Klee, S.

    2014-02-14

    The first theoretical approach aimed at accounting for the energy levels of a non-rigid molecule displaying asymmetric-top asymmetric-frame internal rotation is developed. It is applied to a line position analysis of the high-resolution spectrum of the non-rigid CH{sub 2}DOH molecule and allows us to carry out a global analysis of a data set consisting of already available data and of microwave and far infrared transitions measured in this work. The analysis is restricted to the three lowest lying torsional levels (e{sub 0}, e{sub 1}, and o{sub 1}), to K ⩽ 11, and to J ⩽ 26. For the 8211 fitted lines, the unitless standard deviation is 2.4 and 103 parameters are determined including kinetic energy, hindering potential, and distortion effects parameters.

  13. Electronic structure evolution of fullerene on CH3NH3PbI3

    SciTech Connect

    Wang, Chenggong; Wang, Congcong; Liu, Xiaoliang; Kauppi, John; Shao, Yuchuan; Xiao, Zhengguo; Bi, Cheng; Huang, Jinsong; Gao, Yongli

    2015-03-19

    The thickness dependence of fullerene on CH3NH3PbI3 perovskitefilm surface has been investigated by using ultraviolet photoemission spectroscopy (UPS), X-ray photoemission spectroscopy(XPS), and inverse photoemission spectroscopy (IPES). The lowest unoccupied molecular orbital and highest occupied molecular orbital (HOMO) can be observed directly with IPES and UPS. It is observed that the HOMO level in fullerene shifts to lower binding energy. The XPS results show a strong initial shift of core levels to lower binding energy in the perovskite, which indicates that electrons transfer from the perovskitefilm to fullerene molecules. Further deposition of fullerene forms C60 solid, accompanied by the reduction of the electron transfer. As a result, the strongest electron transfer happened at 1/4 monolayer of fullerene.

  14. Origin and elimination of photocurrent hysteresis by fullerene passivation in CH3NH3PbI3 planar heterojunction solar cells

    DOE PAGES [OSTI]

    Shao, Yuchuan; Xiao, Zhengguo; Bi, Cheng; Yuan, Yongbo; Huang, Jinsong

    2014-12-15

    The large photocurrent hysteresis observed in many organometal trihalide perovskite solar cells has become a major hindrance impairing the ultimate performance and stability of these devices, while its origin was unknown. Here we demonstrate the trap states on the surface and grain boundaries of the perovskite materials to be the origin of photocurrent hysteresis and that the fullerene layers deposited on perovskites can effectively passivate these charge trap states and eliminate the notorious photocurrent hysteresis. Fullerenes deposited on the top of the perovskites reduce the trap density by two orders of magnitude and double the power conversion efficiency of CH3NH3PbI3more » solar cells. As a result, the elucidation of the origin of photocurrent hysteresis and its elimination by trap passivation in perovskite solar cells provides important directions for future enhancements to device efficiency.« less

  15. [N(CH{sub 3}){sub 3}H]{sub 2}ZnCl{sub 4}: Ferroelectric properties and characterization of phase transitions by Raman spectroscopy

    SciTech Connect

    Ben Bechir, M. Karoui, K.; Guidara, K.; Ben Rhaiem, A.; Bulou, A.; Tabellout, M.

    2014-12-07

    The X-ray powder diffraction pattern shows that at room temperature, [N(CH{sub 3}){sub 3}H]{sub 2}ZnCl{sub 4} is crystallized in the orthorhombic system with Pnma space group. The phase transitions at T{sub 1} = 255 K, T{sub 2} = 282 K, T{sub 3} = 302 K, T{sub 4} = 320 K, and T{sub 5} = 346 K have been confirmed by the differential scanning calorimetry. The electrical technique was measured in the 10{sup −1}–10{sup 7 }Hz frequency range and 233–363 K temperature intervals. The temperature dependence of the dielectric constant at different temperatures proved that this compound is ferroelectric below 282 K. Besides, [N(CH{sub 3}){sub 3 }H]{sub 2}ZnCl{sub 4} shows classical ferroelectric behaviour near curie temperature. In order to characterize the phase transitions, Raman spectra have been recorded in the temperature range of 233–383 K and the frequency range related to the internal and external vibrations of the cations and anions (90–4000 cm{sup −1}). The temperature dependence of the Raman line shifts ν and the half-width Δν detects all phase transitions and confirms their nature, especially at 282 K that corresponds to the ferroelectric-paraelectric phase transition.

  16. The initial vibrational level distribution and relaxation of HCN[{tilde {ital X}}{sup 1}{Sigma}{sup +}({ital v}{sub 1},0,{ital v}{sub 3})] in the CN({ital X}{sup 2}{Sigma}{sup +})+CH{sub 4}{r_arrow}HCN+CH{sub 3} reaction system

    SciTech Connect

    Bethardy, G.A.; Northrup, F.J.; Macdonald, R.G.

    1996-09-01

    The reaction of the cyano radical (CN) with methane was studied by time-resolved infrared absorption spectroscopy by monitoring individual rovibrational states of the HCN and CH{sub 3} products. The initial vibrational level distribution of the bendless vibrational levels of HCN({ital v}{sub 1},0,{ital v}{sub 3}) was determined by plotting the time dependence of the fractional population of a vibrational level and extrapolating these curves to the origin of time. About 20{percent} of the HCN products were observed to be initially produced in the HCN({ital v}{sub 1},0,{ital v}{sub 3}) vibrational levels, with {ital v}{sub 1} and {ital v}{sub 3}=0,1,2. The CN radical was created by laser photolysis of three different precursors. Each photolyte provided a different initial vibrational level distribution of CN; however, similar initial HCN({ital v}{sub 1},0,{ital v}{sub 3}) vibrational level distributions were obtained independent of the CN radical precursor. This may indicate that the CN radical does not act as a spectator bond during the course of a reactive encounter for this system. The time dependence of the CH{sub 3} (000{sup 0}0) ground state was also followed using time-resolved infrared absorption spectroscopy. Preliminary data indicates that a large fraction, if not all, the CH{sub 3} radicals are produced in their ground state in the title reaction. {copyright} {ital 1996 American Institute of Physics.}

  17. Fundamental Understanding of Methane-Carbon Dioxide-Water (CH4-CO2-H2O) Interactions in Shale Nanopores under Reservoir Conditions. Quarterly Report.

    SciTech Connect

    Wang, Yifeng

    2015-10-27

    This project focuses on the systematic study of CH4-CO2-H2O interactions in shale nanopores under high-pressure and high temperature reservoir conditions. The proposed work will help to develop new stimulation strategies to enable efficient resource recovery from fewer and less environmentally impactful wells.

  18. The attractive quartet potential energy surface for the CH(a{sup 4}{sigma}{sup {minus}}) + CO reaction: A role for the a {sup 4}A`` state of the ketenyl radical in combustion?

    SciTech Connect

    Schaefer, H.F. III

    1993-12-01

    Ab initio quantum mechanical techniques, including the self-consistent field (SCF), single and double excitation configuration interaction (CISD), single and double excitation double cluster (CCSD), and the single, double and perturbative triple excitation coupled cluster [CCSD(T)] methods have been applied to study the HCCO(a {sup 4}A{open_quotes}) energy hypersurface. Rate constant measurements suggest an attractive potential for the reaction of CH(a {sup 4}{sigma}{sup -}) with CO, and a vanishingly small energy barrier is predicted here in the CH(a {sup 4}{sigma}{sup -}) + CO reaction channel. The {sup 4}A{open_quotes} state of HCCO is predicted to be bound by about 30 kcal/mol with respect to separated CH(a {sup 4}{sigma}{sup -}) + CO. The authors propose that a spin-forbidden electronic deactivation of CH(a {sup 4}{sigma}{sup -}) might occur through through an intersystem crossing involving the {sup 4}A{open_quotes} state of HCCO. The energetics and the geometries of the reactants and products on both quartet and doublet energy surfaces are presented. The relationship between this research and experimental combustion chemistry has been explored.

  19. Quantum cascade laser investigations of CH{sub 4} and C{sub 2}H{sub 2} interconversion in hydrocarbon/H{sub 2} gas mixtures during microwave plasma enhanced chemical vapor deposition of diamond

    SciTech Connect

    Ma Jie; Cheesman, Andrew; Ashfold, Michael N. R.; Hay, Kenneth G.; Wright, Stephen; Langford, Nigel; Duxbury, Geoffrey; Mankelevich, Yuri A.

    2009-08-01

    CH{sub 4} and C{sub 2}H{sub 2} molecules (and their interconversion) in hydrocarbon/rare gas/H{sub 2} gas mixtures in a microwave reactor used for plasma enhanced diamond chemical vapor deposition (CVD) have been investigated by line-of-sight infrared absorption spectroscopy in the wavenumber range of 1276.5-1273.1 cm{sup -1} using a quantum cascade laser spectrometer. Parameters explored include process conditions [pressure, input power, source hydrocarbon, rare gas (Ar or Ne), input gas mixing ratio], height (z) above the substrate, and time (t) after addition of hydrocarbon to a pre-existing Ar/H{sub 2} plasma. The line integrated absorptions so obtained have been converted to species number densities by reference to the companion two-dimensional (r,z) modeling of the CVD reactor described in Mankelevich et al. [J. Appl. Phys. 104, 113304 (2008)]. The gas temperature distribution within the reactor ensures that the measured absorptions are dominated by CH{sub 4} and C{sub 2}H{sub 2} molecules in the cool periphery of the reactor. Nonetheless, the measurements prove to be of enormous value in testing, tensioning, and confirming the model predictions. Under standard process conditions, the study confirms that all hydrocarbon source gases investigated (methane, acetylene, ethane, propyne, propane, and butane) are converted into a mixture dominated by CH{sub 4} and C{sub 2}H{sub 2}. The interconversion between these two species is highly dependent on the local gas temperature and the H atom number density, and thus on position within the reactor. CH{sub 4}->C{sub 2}H{sub 2} conversion occurs most efficiently in an annular shell around the central plasma (characterized by 1400CH{sub 4} is favored in the more distant regions where T{sub gas}<1400 K. Analysis of the multistep interconversion mechanism reveals substantial net consumption of H atoms accompanying the CH{sub 4}->C{sub 2}H{sub 2

  20. HIGH-RESOLUTION EXPANDED VERY LARGE ARRAY IMAGE OF DIMETHYL ETHER (CH{sub 3}){sub 2}O IN ORION-KL

    SciTech Connect

    Favre, C.; Wootten, H. A.; Remijan, A. J.; Brouillet, N.; Despois, D.; Baudry, A.; Wilson, T. L. E-mail: brouillet@obs.u-bordeaux1.fr E-mail: baudry@obs.u-bordeaux1.fr E-mail: aremijan@nrao.edu

    2011-09-20

    We report the first subarcsecond (0.''65 x 0.''51) image of the dimethyl ether molecule, (CH{sub 3}){sub 2}O, toward the Orion Kleinmann-Low nebula. The observations were carried at 43.4 GHz with the Expanded Very Large Array (EVLA). The distribution of the lower energy transition 6{sub 1,5}-6{sub 0,6}, EE (E {sub u} = 21 K) mapped in this study is in excellent agreement with the published dimethyl ether emission maps imaged with a lower resolution. The main emission peaks are observed toward the Compact Ridge and Hot Core southwest components, at the northern parts of the Compact Ridge and in an intermediate position between the Compact Ridge and the Hot Core. A notable result is that the distribution of dimethyl ether is very similar to that of another important larger O-bearing species, the methyl formate (HCOOCH{sub 3}), imaged at a lower resolution. Our study shows that higher spectral resolution (WIDAR correlator) and increased spectral coverage provided by the EVLA offer new possibilities for imaging complex molecular species. The sensitivity improvement and the other EVLA improvements make this instrument well suited for high sensitivity, high angular resolution, and molecular line imaging.