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Sample records for hu ja ru

  1. Cosmology at the Beach Lecture: Wayne Hu

    ScienceCinema (OSTI)

    Wayne Hu

    2010-01-08

    Wayne Hu lectures on Secondary Anisotropy in the CMB. The lecture is the first in a series of 3 he delivered as part of the "Cosmology at the Beach" winter school organized by Berkeley Lab's George Smoot in Los Cabos, Mexico from Jan. 12-16, 2009.

  2. Adsorption and diffusion of Ru adatoms on Ru(0001)-supported...

    Office of Scientific and Technical Information (OSTI)

    Accepted Manuscript: Adsorption and diffusion of Ru adatoms on Ru(0001)-supported graphene: Large-scale first-principles calculations This content will become publicly available on...

  3. Doc.~:Ru.

    Office of Legacy Management (LM)

    .' , .' c,j .c; Distriblition:~ ;. <; ~..,:L.D.i&%.ay,FiN-OR00 Doc.~:Ru. ,.,. 75. ' Br..Reading 'ire' ,lliv. Read&q File ,: '. ~ ,, .-' . ...: - SURNAME..

  4. Oct. 25 Lecture Highlights Treatment Technology of HU's Proton Therapy

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

    Institute | Jefferson Lab Oct. 25 Lecture Highlights Treatment Technology of HU's Proton Therapy Institute Cynthia Keppel Hampton University Proton Therapy Institute Scientific and Technical Director, Cynthia Keppel, will present a public lecture titled "Accelerating Protons to Save Lives" on Oct. 25 at Jefferson Lab in Newport News. NEWPORT NEWS, Va., Sept. 29, 2011 - Jefferson Lab's 2011 Fall Science Series kicks off on Tuesday, Oct. 25. The Hampton University Proton Therapy

  5. ja762 | The Ames Laboratory

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

    ja762 Ames Laboratory Profile Jordan Anderson Facilities Services 167 Metals Development Phone Number: 515-294-5428 Email Address: ja762

  6. Ru!fsa!!

    Office of Legacy Management (LM)

    prejmt . Ru!fsa!! sgI5~1k !~a$i~ns . : r l u s e l i c c u at c ~ r t ; J~III~IU:,ILIIII UII ENGINEERING \'IITH NUCLEAR EXPLOSIVES . . (4th Plovjshare Symposium) . .. ... DISTRIBUTION OF .r!r!s I:O(:~!A~EST IS UXLIAIIT PD Las Vegas, Nevada, January 1C70 DISCLAIMER Portions of this document may be illegible in electronic image products. Images are produced from the best available original document. . . m e n t a l l y and a n a l y v i c a l l y d e r i v e d pre-even?. e s t i m a t e s .

  7. Effect of Ru thickness on spin pumping in Ru/Py bilayer

    SciTech Connect (OSTI)

    Behera, Nilamani; Singh, M. Sanjoy; Chaudhary, Sujeet; Pandya, Dinesh K. Muduli, P. K.

    2015-05-07

    We report the effect of Ru thickness (t{sub Ru}) on ferromagnetic resonance (FMR) line-width of Ru(t{sub Ru})/Py(23?nm) bilayer samples grown on Si(100)/SiO{sub 2} substrates at room temperature by magnetron sputtering. The FMR line-width is found to vary linearly with frequency for all thicknesses of Ru, indicating intrinsic origin of damping. For Ru thicknesses below 15?nm, Gilbert-damping parameter, ? is almost constant. We ascribe this behavior to spin back flow that is operative for Ru thicknesses lower than the spin diffusion length in Ru, ?{sub sd}. For thicknesses >15?nm (>?{sub sd}), the damping constant increases with Ru thickness, indicating spin pumping from Py into Ru.

  8. Glycerol Hydrogenolysis on Carbon-Supported PtRu and AuRu Bimetallic Catalysts

    SciTech Connect (OSTI)

    Maris,E.; Ketchie, W.; Murayama, M.; Davis, R.

    2007-01-01

    Bimetallic PtRu and AuRu catalysts were prepared by a surface redox method in which Pt or Au was deposited onto the surface of carbon-supported Ru nanoparticles with an average diameter of 2-3 nm. Characterization by H2 chemisorption, analytical TEM, and X-ray absorption spectroscopy at the Ru K-edge, Pt LIII-edge, and Au LIII-edge confirmed that Pt and Au were successfully deposited onto Ru without disrupting the Ru particles. Depression of the ethane hydrogenolysis rate over Ru after addition of Au provided further evidence of successful deposition. The bimetallic particles were subsequently evaluated in the aqueous-phase hydrogenolysis of glycerol at 473 K and 40 bar H2 at neutral and elevated pH. Although monometallic Pt and Ru exhibited different activities and selectivities to products, the bimetallic PtRu catalyst functioned more like Ru. A similar result was obtained for the AuRu bimetallic catalyst. The PtRu catalyst appeared to be stable under the aqueous-phase reaction conditions, whereas the AuRu catalyst was altered by the harsh conditions. Gold appeared to migrate off the Ru and agglomerate on the carbon during the reaction in liquid water.

  9. On an instability exhibited by the ballistic-diffusive heat conduction model of Xu and Hu

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

    Christov, I. C.; Jordan, P. M.

    2013-11-13

    We show that the constitutive relation for the thermal flux proposed by Xu & Hu (2011) admits an unconditional instability. We also highlight the difference between mathematical models containing delay and those that include relaxation effects.

  10. JA

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

    actJvities Include, but are not limited to (a) Geological, geophysical (such as gravity, magnebc, electrical, seismic, radar, and temperature gradient), geochemical, and...

  11. AuRu/AC as an effective catalyst for hydrogenation reactions

    SciTech Connect (OSTI)

    Villa, Alberto; Chan-Thaw, Carine E.; Campisi, Sebastiano; Bianchi, Claudia L.; Wang, Di; Kotula, Paul G.; Kbel, Christian; Prati, Laura

    2015-03-23

    AuRu bimetallic catalysts have been prepared by sequential deposition of Au on Ru or vice versa obtaining different nanostructures: when Ru has been deposited on Au, a AucoreRushell has been observed, whereas the deposition of Au on Ru leads to a bimetallic phase with Ru enrichment on the surface. In the latter case, the unexpected Ru enrichment could be attributed to the weak adhesion of Ru on the carbon support, thus allowing Ru particles to diffuse on Au particles. Both structures result very active in catalysing the liquid phase hydrogenolysis of glycerol and levulinic acid but the activity, the selectivity and the stability depend on the structure of the bimetallic nanoparticles. Ru@Au/AC coreshell structure mostly behaved as the monometallic Ru, whereas the presence of bimetallic AuRu phase in Au@Ru/AC provides a great beneficial effect on both activity and stability.

  12. JA Solar Holdings Co aka Jingao | Open Energy Information

    Open Energy Info (EERE)

    Name: JA Solar Holdings Co (aka Jingao) Place: Hebei Province, China Product: Chinese PV cell manufacturer. References: JA Solar Holdings Co (aka Jingao)1 This article is a...

  13. AuRu/AC as an effective catalyst for hydrogenation reactions

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

    Villa, Alberto; Chan-Thaw, Carine E.; Campisi, Sebastiano; Bianchi, Claudia L.; Wang, Di; Kotula, Paul G.; Kübel, Christian; Prati, Laura

    2015-03-23

    AuRu bimetallic catalysts have been prepared by sequential deposition of Au on Ru or vice versa obtaining different nanostructures: when Ru has been deposited on Au, a Aucore–Rushell has been observed, whereas the deposition of Au on Ru leads to a bimetallic phase with Ru enrichment on the surface. In the latter case, the unexpected Ru enrichment could be attributed to the weak adhesion of Ru on the carbon support, thus allowing Ru particles to diffuse on Au particles. Both structures result very active in catalysing the liquid phase hydrogenolysis of glycerol and levulinic acid but the activity, the selectivitymore » and the stability depend on the structure of the bimetallic nanoparticles. Ru@Au/AC core–shell structure mostly behaved as the monometallic Ru, whereas the presence of bimetallic AuRu phase in Au@Ru/AC provides a great beneficial effect on both activity and stability.« less

  14. JaWE to Openflow translation software

    Energy Science and Technology Software Center (OSTI)

    2004-09-07

    Jawt2Openfiow isa software product for the Zope content management system that converts a workflow defined by JaWE to a workflow implemented with Openflow in Zope.

  15. Enhanced thermoelectric power and electronic correlations in RuSe?

    SciTech Connect (OSTI)

    Wang, Kefeng; Wang, Aifeng; Tomic, A.; Wang, Limin; Abeykoon, A. M. Milinda; Dooryhee, E.; Billinge, S. J.L.; Petrovic, C.

    2015-03-03

    We report the electronic structure, electric and thermal transport properties of Ru??xIrxSe? (x ? 0.2). RuSe? is a semiconductor that crystallizes in a cubic pyrite unit cell. The Seebeck coefficient of RuSe? exceeds -200 V/K around 730 K. Ir substitution results in the suppression of the resistivity and the Seebeck coefficient, suggesting the removal of the peaks in density of states near the Fermi level. Ru?.?Ir?.?Se? shows a semiconductor-metal crossover at about 30 K. The magnetic field restores the semiconducting behavior. Our results indicate the importance of the electronic correlations in enhanced thermoelectricity of RuSb?.

  16. MoRu/Be multilayers for extreme ultraviolet applications

    DOE Patents [OSTI]

    Bajt, Sasa C. (Livermore, CA); Wall, Mark A. (Stockton, CA)

    2001-01-01

    High reflectance, low intrinsic roughness and low stress multilayer systems for extreme ultraviolet (EUV) lithography comprise amorphous layers MoRu and crystalline Be layers. Reflectance greater than 70% has been demonstrated for MoRu/Be multilayers with 50 bilayer pairs. Optical throughput of MoRu/Be multilayers can be 30-40% higher than that of Mo/Be multilayer coatings. The throughput can be improved using a diffusion barrier to make sharper interfaces. A capping layer on the top surface of the multilayer improves the long-term reflectance and EUV radiation stability of the multilayer by forming a very thin native oxide that is water resistant.

  17. Adsorption and diffusion of Ru adatoms on Ru(0001)-supported graphene: Large-scale first-principles calculations

    SciTech Connect (OSTI)

    Han, Yong; Evans, James W.

    2015-10-27

    Large-scale first-principles density functional theory calculations are performed to investigate the adsorption and diffusion of Ru adatoms on monolayer graphene (G) supported on Ru(0001). The G sheet exhibits a periodic moir-cell superstructure due to lattice mismatch. Within a moir cell, there are three distinct regions: fcc, hcp, and mound, in which the C6-ring center is above a fcc site, a hcp site, and a surface Ru atom of Ru(0001), respectively. The adsorption energy of a Ru adatom is evaluated at specific sites in these distinct regions. We find the strongest binding at an adsorption site above a C atom in the fcc region, next strongest in the hcp region, then the fcc-hcp boundary (ridge) between these regions, and the weakest binding in the mound region. Behavior is similar to that observed from small-unit-cell calculations of Habenicht et al. [Top. Catal. 57, 69 (2014)], which differ from previous large-scale calculations. We determine the minimum-energy path for local diffusion near the center of the fcc region and obtain a local diffusion barrier of ~0.48 eV. We also estimate a significantly lower local diffusion barrier in the ridge region. These barriers and information on the adsorption energy variation facilitate development of a realistic model for the global potential energy surface for Ru adatoms. Furthermore, this in turn enables simulation studies elucidating diffusion-mediated directed-assembly of Ru nanoclusters during deposition of Ru on G/Ru(0001).

  18. Adsorption and diffusion of Ru adatoms on Ru(0001)-supported graphene: Large-scale first-principles calculations

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

    Han, Yong; Evans, James W.

    2015-10-27

    Large-scale first-principles density functional theory calculations are performed to investigate the adsorption and diffusion of Ru adatoms on monolayer graphene (G) supported on Ru(0001). The G sheet exhibits a periodic moiré-cell superstructure due to lattice mismatch. Within a moiré cell, there are three distinct regions: fcc, hcp, and mound, in which the C6-ring center is above a fcc site, a hcp site, and a surface Ru atom of Ru(0001), respectively. The adsorption energy of a Ru adatom is evaluated at specific sites in these distinct regions. We find the strongest binding at an adsorption site above a C atom inmore » the fcc region, next strongest in the hcp region, then the fcc-hcp boundary (ridge) between these regions, and the weakest binding in the mound region. Behavior is similar to that observed from small-unit-cell calculations of Habenicht et al. [Top. Catal. 57, 69 (2014)], which differ from previous large-scale calculations. We determine the minimum-energy path for local diffusion near the center of the fcc region and obtain a local diffusion barrier of ~0.48 eV. We also estimate a significantly lower local diffusion barrier in the ridge region. These barriers and information on the adsorption energy variation facilitate development of a realistic model for the global potential energy surface for Ru adatoms. Furthermore, this in turn enables simulation studies elucidating diffusion-mediated directed-assembly of Ru nanoclusters during deposition of Ru on G/Ru(0001).« less

  19. Enhanced thermoelectric power and electronic correlations in RuSe₂

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

    Wang, Kefeng; Wang, Aifeng; Tomic, A.; Wang, Limin; Abeykoon, A. M. Milinda; Dooryhee, E.; Billinge, S. J.L.; Petrovic, C.

    2015-03-03

    We report the electronic structure, electric and thermal transport properties of Ru₁₋xIrxSe₂ (x ≤ 0.2). RuSe₂ is a semiconductor that crystallizes in a cubic pyrite unit cell. The Seebeck coefficient of RuSe₂ exceeds -200 µV/K around 730 K. Ir substitution results in the suppression of the resistivity and the Seebeck coefficient, suggesting the removal of the peaks in density of states near the Fermi level. Ru₀.₈Ir₀.₂Se₂ shows a semiconductor-metal crossover at about 30 K. The magnetic field restores the semiconducting behavior. Our results indicate the importance of the electronic correlations in enhanced thermoelectricity of RuSb₂.

  20. Complex of transferrin with ruthenium for medical applications. [Ru 97, Ru 103

    DOE Patents [OSTI]

    Richards, P.; Srivastava, S.C.; Meinken, G.E.

    1980-11-03

    A novel Ruthenium-transferrin complex, prepared by reacting iron-free human transferrin dissolved in a sodium acetate solution at pH 7 with ruthenium by heating at about 40/sup 0/C for about 2 hours, and purifying said complex by means of gel chromatography with pH 7 sodium acetate as eluent. The mono- or di-metal complex produced can be used in nuclear medicine in the diagnosis and/or treatment of tumors and abscesses. Comparitive results with Ga-67-citrate, which is the most widely used tumor-localizing agent in nuclear medicine, indicate increased sensitivity of detection and greater tumor uptake with the Ru-transferrin complex.

  1. packagings -- Historical review Smith, J.A.; Salzbrenner, D....

    Office of Scientific and Technical Information (OSTI)

    based design for radioactive material transport packagings -- Historical review Smith, J.A.; Salzbrenner, D.; Sorenson, K.; McConnell, P. 42 ENGINEERING NOT INCLUDED IN...

  2. Synthesis of Pd?Ru@Pt nanoparticles for oxygen reduction reaction in acidic electrolytes

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

    Sun, Yu; Hsieh, Yu-Chi; Chang, Li-Chung; Wu, Pu-Wei; Lee, Jyh-Fu

    2014-11-22

    Nanoparticles of PdRu, Pd?Ru, and Pd?Ru are synthesized and impregnated on carbon black via a wet chemical reflux process. X-ray diffraction patterns of the as-synthesized samples, PdxRu/C (x=1/3/9), suggest succesful formation of alloy without presence of individual Pd and Ru nanoparticles. Images from transmission electron microscope confirm irregularly-shaped nanoparticles with average size below 3 nm. Analysis from extended X-ray absorption fine structure on both Pd and Ru K-edge absorption profiles indicate the Ru atoms are enriched on the surface of PdxRu/C. Among these samples, the Pd?Ru/C exhibits the strongest electrocatalytic activity for oxygen reduction reaction (ORR) in an oxygen-saturated 0.1moreM aqueous HClO? solution. Subsequently, the Pd?Ru/C undegoes Cu under potential deposition, followed by a galvanic displacement reaction to deposit a Pt monolayer on the Pd?Ru surface (Pd?Ru@Pt). The Pd?Ru@Pt reveals better ORR performance than that of Pt, reaching a mass activity of 0.38 mA ?g? Pt, as compared to that of commercially available Pt nanoparticles (0.107 mA ?g? Pt). The mechanisms responsible for the ORR enhancement are attributed to the combined effects of lattice strain and ligand interaction. In addition, this core-shell Pd?Ru@Pt electrocatalyst represents a substantial reduction in the amount of Pt consumption and raw material cost.less

  3. Synthesis of Pd9Ru@Pt nanoparticles for oxygen reduction reaction in acidic electrolytes

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

    Sun, Yu; Hsieh, Yu -Chi; Chang, Li -Chung; Wu, Pu -Wei; Lee, Jyh -Fu

    2014-11-22

    Nanoparticles of PdRu, Pd₃Ru, and Pd₉Ru are synthesized and impregnated on carbon black via a wet chemical reflux process. X-ray diffraction patterns of the as-synthesized samples, PdxRu/C (x=1/3/9), suggest succesful formation of alloy without presence of individual Pd and Ru nanoparticles. Images from transmission electron microscope confirm irregularly-shaped nanoparticles with average size below 3 nm. Analysis from extended X-ray absorption fine structure on both Pd and Ru K-edge absorption profiles indicate the Ru atoms are enriched on the surface of PdxRu/C. Among these samples, the Pd₉Ru/C exhibits the strongest electrocatalytic activity for oxygen reduction reaction (ORR) in an oxygen-saturated 0.1more » M aqueous HClO₄ solution. Subsequently, the Pd₉Ru/C undegoes Cu under potential deposition, followed by a galvanic displacement reaction to deposit a Pt monolayer on the Pd₉Ru surface (Pd₉Ru@Pt). The Pd₉Ru@Pt reveals better ORR performance than that of Pt, reaching a mass activity of 0.38 mA μg⁻¹ Pt, as compared to that of commercially available Pt nanoparticles (0.107 mA μg⁻¹ Pt). Thus, the mechanisms responsible for the ORR enhancement are attributed to the combined effects of lattice strain and ligand interaction. In addition, this core-shell Pd₉Ru@Pt electrocatalyst represents a substantial reduction in the amount of Pt consumption and raw material cost.« less

  4. Photoelectrocatalytic study of water oxidation at n-RuS{sub 2} electrodes

    SciTech Connect (OSTI)

    Salvador, P.; Alonso-Vante, N.; Tributsch, H.

    1998-01-01

    A kinetic study of the photocatalytic oxidation of water at a n-RuS{sub 2} semiconducting single crystal has been undertaken on the basis of photocurrent transients (photocurrent-time behavior as a function of the polarization potential, illumination intensity, and temperature) and electrolyte electroreflectance experiments. The main factor defining the catalytic activity of RuS{sub 2} for water oxidation, both in the dark and under illumination, is a low overpotential ({eta} {approx} 0.3 V), which is comparable to that of the RuO{sub 2} catalyst for oxygen evolution at darkness. Evidence has been given that {eta} is determined by the E{sup o}(Ru{sub s}-OH{sup 0}/Ru{sub s}-H{sub 2}O) redox potential, which strongly depends on the bonding energy of Ru surface species with OH{sup o} radicals generated by direct oxidation of adsorbed water molecules (interfacial Ru-peroxo-type complex formation). This bonding energy increases as the RuS{sub 2} surface becomes oxidized under anodic polarization and reaches its maximum value at the potential of the S{sub 2}RuO{sub 2}/RuS{sub 2} transition (VIII Ru oxidation state). Further oxidation of the Ru-peroxo-type complexes leads to oxygen evolution at a rate which increases with the degree of oxidation of the Ru surface active centers. Although O{sub 2} evolution probably already takes place on Ru(VI) surface sites, high evolution rates (current densities) are only reached under oxidation state VIII. However, in this state (idealized S{sub 2}Ru(VIII)O{sub 2}) Ru-S surface bonds are weakened and occasionally broken, contributing to RuS{sub 2} dissolution with generation of volatile RuO{sub 4} and SO{sub 4}{sup 2{minus}} soluble ions as the main corrosion products. This phenomenon may be attributed to the reaction in acidic medium of H{sub 2}O molecules with Ru(VIII) surface species, giving rise to the formation of unstable intermediate complexes.

  5. Dimerization Induced Deprotonation of Water on RuO2(110)

    SciTech Connect (OSTI)

    Mu, Rentao; Cantu Cantu, David; Lin, Xiao; Glezakou, Vassiliki Alexandra; Wang, Zhitao; Lyubinetsky, Igor; Rousseau, Roger J.; Dohnalek, Zdenek

    2014-10-02

    RuO2 has proven to be indispensable as a co-catalyst in numerous systems designed for photocatalytic water splitting. In this study we have carried out a detailed mechanistic study of water behavior on the most stable RuO2 face, RuO2(110), by employing variable temperature scanning tunneling microscopy and density functional theory calculations. We show that water monomers adsorb molecularly on Ru sites, become mobile above 238 K, diffuse along the Ru rows and form water dimers. The onset for dimer diffusion is observed at ~277 K indicating significantly higher diffusion barrier than that for monomers. More importantly, we find that water dimers deprotonate readily to form Ru-bound H3O2 and bridging OH species. The observed behavior is compared and contrasted with that observed for water on isostructural rutile TiO2(110).

  6. Composition and work function relationship in Os-Ru-W ternary alloys

    Office of Scientific and Technical Information (OSTI)

    (Journal Article) | SciTech Connect Composition and work function relationship in Os-Ru-W ternary alloys Citation Details In-Document Search Title: Composition and work function relationship in Os-Ru-W ternary alloys Os-Ru thin films with varying concentrations of W were sputter deposited in order to investigate their structure-property relationships. The films were analyzed with x-ray diffraction to investigate their crystal structures, and a Kelvin probe to investigate their work

  7. Sol-gel Ru/SiO[sub 2] - catalysts: Theoretical and experimental determination of the Ru-in-silica structures

    SciTech Connect (OSTI)

    Lopez, T.; Gomez, R.; Novaro, O. ); Ramirez-Solis, A.; Sanchez-Mora, E.; Castillo, S.; Poulain, E.; Martinez-Magadan, J.M. )

    1993-05-01

    Preparation of Ru/SiO[sub 2] catalysts with sol-gel techniques allows better selectivity and much greater resistance to coke formation and deactivation than the traditional impregnation method. This has been attributed to the incorporation of Ru into the silica network for the sol-gel catalyst. To further understand the structure of the Ru occluded in the silica network, a variety of spectroscopical studies and quantum mechanical calculations were carried out, confirming previously proposed structures and showing good agreement between the theoretical and experimental results. 26 refs., 10 figs., 2 tabs.

  8. High antiferromagnetic transition temperature of a honeycomb compound SrRu2O6

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

    Tian, Wei; Svoboda, Chris; Ochi, M.; Matsuda, M.; Cao, Huibo; Cheng, J. -G.; Sales, B. C.; Mandrus, D.; Arita, R.; Trivedi, Nandini; et al

    2015-09-14

    We study the high-temperature magnetic order in a quasi-two-dimensional honeycomb compound SrRu2O6 by measuring magnetization and neutron powder diffraction with both polarized and unpolarized neutrons. SrRu2O6 crystallizes into the hexagonal lead antimonate (PbSb2O6, space group P31m) structure with layers of edge-sharing RuO6 octahedra separated by Sr2+ ions. SrRu2O6 is found to order at TN = 565 K with Ru moments coupled antiferromagnetically both in plane and out of plane. The magnetic moment is 1.30(2) μB/Ru at room temperature and is along the crystallographic c axis in the G-type magnetic structure. We perform density functional calculations with constrained random-phase approximation (RPA)more » to obtain the electronic structure and effective intra- and interorbital interaction parameters. The projected density of states shows strong hybridization between Ru 4d and O 2p. By downfolding to the target t2g bands we extract the effective magnetic Hamiltonian and perform Monte Carlo simulations to determine the transition temperature as a function of interand intraplane couplings. We find a weak interplane coupling, 3% of the strong intraplane coupling, permits three-dimensional magnetic order at the observed TN .« less

  9. Synthesis of Pd9Ru@Pt nanoparticles for oxygen reduction reaction in acidic electrolytes

    SciTech Connect (OSTI)

    Sun, Yu; Hsieh, Yu -Chi; Chang, Li -Chung; Wu, Pu -Wei; Lee, Jyh -Fu

    2014-11-22

    Nanoparticles of PdRu, Pd?Ru, and Pd?Ru are synthesized and impregnated on carbon black via a wet chemical reflux process. X-ray diffraction patterns of the as-synthesized samples, PdxRu/C (x=1/3/9), suggest succesful formation of alloy without presence of individual Pd and Ru nanoparticles. Images from transmission electron microscope confirm irregularly-shaped nanoparticles with average size below 3 nm. Analysis from extended X-ray absorption fine structure on both Pd and Ru K-edge absorption profiles indicate the Ru atoms are enriched on the surface of PdxRu/C. Among these samples, the Pd?Ru/C exhibits the strongest electrocatalytic activity for oxygen reduction reaction (ORR) in an oxygen-saturated 0.1 M aqueous HClO? solution. Subsequently, the Pd?Ru/C undegoes Cu under potential deposition, followed by a galvanic displacement reaction to deposit a Pt monolayer on the Pd?Ru surface (Pd?Ru@Pt). The Pd?Ru@Pt reveals better ORR performance than that of Pt, reaching a mass activity of 0.38 mA ?g? Pt, as compared to that of commercially available Pt nanoparticles (0.107 mA ?g? Pt). Thus, the mechanisms responsible for the ORR enhancement are attributed to the combined effects of lattice strain and ligand interaction. In addition, this core-shell Pd?Ru@Pt electrocatalyst represents a substantial reduction in the amount of Pt consumption and raw material cost.

  10. Synthesis and thermoelectric properties of RuO{sub 2} nanorods

    SciTech Connect (OSTI)

    Music, Denis; Basse, Felix H.-U.; Schneider, Jochen M.; Hassdorf, Ralf

    2010-07-15

    We have explored the effect of the O/Ru ratio on the morphology and the Seebeck coefficient of RuO{sub 2} nanorods (space group P4{sub 2}/mnm) synthesized by reactive sputtering. At an O/Ru ratio of 1.69, a faceted surface is observed, while nanorod formation occurs at O/Ru ratios of 2.03 and 2.24. Using classical molecular dynamics with the potential parameters derived in this work, we show that volatile species enable nanorod formation. Based on ab initio calculations, two effects of the nanorod formation on the Seebeck coefficient are observed: (i) increase due to additional states in the vicinity of the Fermi level and (ii) decrease due to oxygen point defects (volatile species). These two competing effects give rise to a moderate increase in the Seebeck coefficient upon nanorod formation.

  11. Tuning the metal-insulator crossover and magnetism in SrRuO3...

    Office of Scientific and Technical Information (OSTI)

    Journal Article: Tuning the metal-insulator crossover and magnetism in SrRuO3 by ionic gating Citation Details In-Document Search Title: Tuning the metal-insulator crossover and ...

  12. Mechanism of water oxidation by [Ru(bda)(L)₂]: The return of the "blue dimer"

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

    Concepcion, Javier J.; Zhong, Diane K.; Szalda, David J.; Muckerman, James T.; Fujita, Etsuko

    2015-02-05

    We describe here a combined solution-surface-DFT calculations study for complexes of the type [Ru(bda)(L)₂] including X-ray structure of intermediates, their reactivity, as well as pH-dependent electrochemistry and spectroelectrochemistry. These studies shed light on the mechanism of water oxidation by [Ru(bda)(L)₂], revealing key features unavailable from solution studies with sacrificial oxidants.

  13. Epitaxial growth of highly conductive RuO{sub 2} thin films on (100) Si

    SciTech Connect (OSTI)

    Jia, Q.X.; Song, S.G.; Wu, X.D.; Cho, J.H.; Foltyn, S.R.; Findikoglu, A.T.; Smith, J.L.

    1996-02-01

    Conductive RuO{sub 2} thin films have been heteroepitaxially grown by pulsed laser deposition on Si substrates with yttria-stabilized zirconia (YSZ) buffer layers. The RuO{sub 2} thin films deposited under optimized processing conditions are {ital a}-axis oriented normal to the Si substrate surface with a high degree of in-plane alignment with the major axes of the (100) Si substrate. Cross-sectional transmission electron microscopy analysis on the RuO{sub 2}/YSZ/Si multilayer shows an atomically sharp interface between the RuO{sub 2} and the YSZ. Electrical measurements show that the crystalline RuO{sub 2} thin films are metallic over a temperature range from 4.2 to 300 K and are highly conductive with a room-temperature resistivity of 37{plus_minus}2 {mu}{Omega}cm. The residual resistance ratio ({ital R}{sub 300K}/{ital R}{sub 4.2K}) above 5 for our RuO{sub 2} thin films is the highest ever reported for such films on Si substrates. {copyright} {ital 1996 American Institute of Physics.}

  14. Influence of Electron Doping on Magnetic Order in CeRu2Al10

    SciTech Connect (OSTI)

    Kobayashi, Riki; Kaneko, Koji; Saito, Kotaro; Mignot, Jean-Michel; Andre, Gilles; Robert, Julien; Wakimoto, Shuichi; Matsuda, Masaaki; Chi, Songxue; Haga, Yoshinori; Matsuda, Tatsuma; Yamamoto, Etsuji; Nishioka, Takashi; Tanida, Hiroshi; Sera, Masafumi

    2014-01-01

    The effect of electron doping by the substitution of Rh for Ru on unconventional magnetic order in CeRu2Al10 was investigated via neutron powder diffraction. In Ce(Ru1 xRhx)2Al10 with x = 0.05, 0.12, and 0.2, reorientation of the ordered moment from the c-axis as in pure CeRu2Al10 to the a-axis takes place in all samples, while the ordering vector q 0; 1; 0 remains unchanged within this concentration range. The moment reorientation is accompanied by an increase in its size by a factor of 2.4, from = 0.43 B at x = 0 to = 1.06, 1.04, and 1.02 B for x = 0.05, 0.12, and 0.2, respectively. The continuous decrease in the N el temperature T0(TN), despite an abrupt increase in , underlines the strong anisotropy in the exchange interaction in CeRu2Al10 and the fact that this anisotropy is easily suppressed by electron doping. 1.

  15. A dual model HU conversion from MRI intensity values within and outside of bone segment for MRI-based radiotherapy treatment planning of prostate cancer

    SciTech Connect (OSTI)

    Korhonen, Juha; Department of Oncology, Helsinki University Central Hospital, POB-180, 00029 HUS ; Kapanen, Mika; Department of Oncology, Helsinki University Central Hospital, POB-180, 00029 HUS; Department of Medical Physics, Tampere University Hospital, POB-2000, 33521 Tampere ; Keyrilinen, Jani; Seppl, Tiina; Tenhunen, Mikko

    2014-01-15

    Purpose: The lack of electron density information in magnetic resonance images (MRI) poses a major challenge for MRI-based radiotherapy treatment planning (RTP). In this study the authors convert MRI intensity values into Hounsfield units (HUs) in the male pelvis and thus enable accurate MRI-based RTP for prostate cancer patients with varying tissue anatomy and body fat contents. Methods: T{sub 1}/T{sub 2}*-weighted MRI intensity values and standard computed tomography (CT) image HUs in the male pelvis were analyzed using image data of 10 prostate cancer patients. The collected data were utilized to generate a dual model HU conversion technique from MRI intensity values of the single image set separately within and outside of contoured pelvic bones. Within the bone segment local MRI intensity values were converted to HUs by applying a second-order polynomial model. This model was tuned for each patient by two patient-specific adjustments: MR signal normalization to correct shifts in absolute intensity level and application of a cutoff value to accurately represent low density bony tissue HUs. For soft tissues, such as fat and muscle, located outside of the bone contours, a threshold-based segmentation method without requirements for any patient-specific adjustments was introduced to convert MRI intensity values into HUs. The dual model HU conversion technique was implemented by constructing pseudo-CT images for 10 other prostate cancer patients. The feasibility of these images for RTP was evaluated by comparing HUs in the generated pseudo-CT images with those in standard CT images, and by determining deviations in MRI-based dose distributions compared to those in CT images with 7-field intensity modulated radiation therapy (IMRT) with the anisotropic analytical algorithm and 360 volumetric-modulated arc therapy (VMAT) with the Voxel Monte Carlo algorithm. Results: The average HU differences between the constructed pseudo-CT images and standard CT images of each test patient ranged from ?2 to 5 HUs and from 22 to 78 HUs in soft and bony tissues, respectively. The average local absolute value differences were 11 HUs in soft tissues and 99 HUs in bones. The planning target volume doses (volumes 95%, 50%, 5%) in the pseudo-CT images were within 0.8% compared to those in CT images in all of the 20 treatment plans. The average deviation was 0.3%. With all the test patients over 94% (IMRT) and 92% (VMAT) of dose points within body (lower than 10% of maximum dose suppressed) passed the 1 mm and 1% 2D gamma index criterion. The statistical tests (t- and F-tests) showed significantly improved (p ? 0.05) HU and dose calculation accuracies with the soft tissue conversion method instead of homogeneous representation of these tissues in MRI-based RTP images. Conclusions: This study indicates that it is possible to construct high quality pseudo-CT images by converting the intensity values of a single MRI series into HUs in the male pelvis, and to use these images for accurate MRI-based prostate RTP dose calculations.

  16. The series of carbon-chain complexes {Ru(dppe)Cp*}?{?-(C?C)x} (x = 48, 11): Synthesis, structures, properties and some reactions

    SciTech Connect (OSTI)

    Bruce, Michael I.; Cole, Marcus L.; Ellis, Benjamin G.; Gaudio, Maryka; Nicholson, Brian K.; Parker, Christian R.; Skelton, Brian W.; White, Allan H.

    2015-01-28

    The construction of a series of compounds {Ru(dppe)Cp*}2(?-C2x) (Ru*-C2x-Ru*, x = 48, 11)) is described. A direct reaction between RuCl(dppe)Cp* and Me3Si(Ctriple bond; length of mdashC)4SiMe3 afforded Ru*-C8-Ru* in 89% yield. The Pd(0)/Cu(I)-catalysed coupling of Ru{Ctriple bond; length of mdashCCtriple bond; length of mdashCAu(PPh3)}(dppe)Cp*Ru*-C4-Au (2 equiv.) with diiodoethyne gave Ru*-C10-Ru* (64%), or of 1 equiv. with I(Ctriple bond; length of mdashC)3I gave Ru*-C14-Ru* (36%); similarly, Ru{(Ctriple bond; length of mdashC)4Au(PPh3)}(dppe)Cp*Ru*-C8-Au and I(Ctriple bond; length of mdashC)3I gave Ru*-C22-Ru* (12%). Desilylation (TBAF) of Ru{(Ctriple bond; length of mdashC)xSiMe3}(dppe)Cp*Ru*-C2x-Si (x = 3, 4) followed by oxidative coupling [Cu(OAc)2/py] gave Ru*-C12-Ru* (82%) and Ru*-C16-Ru* (58%), respectively. Similar oxidative coupling of Ru(Ctriple bond; length of mdashCCtriple bond; length of mdashCH)(dppe)Cp* was a second route to Ru*-C8-Ru* (82%). Appropriate precursors are already known, or obtained by coupling of Ru*-C2x-Si (x = 2, 4) with AuCl(PPh3)/NaOMe [Ru*-C4-Au, 95%; Ru*-C8-Au, 74%] or from Pd(0)/Cu(I) catalysed coupling of Ru*-C2x-Au (x = 2, 3) with I(Ctriple bond; length of mdashC)2SiMe3 (Ru*-C8-Si, 64%; Ru*-C10-Si, 2%). Reactions between Ru*-C2x-Ru* (x = 3, 4) and Fe2(CO)9 gave {Fe3(CO)9}{?3-CCtriple bond; length of mdashC[Ru(dppe)Cp*]}2Fe(C3-Ru*)2 and {Fe3(CO)9}{?3-CCtriple bond; length of mdashC[Ru(dppe)Cp*]}{?3-C(Ctriple bond; length of mdashC)2[Ru(dppe)Cp*]} Fe(C3-Ru*)(C5-Ru*), respectively. The redox properties of the series of complexes with 2x = 216 were measured and showed a diminution of the separation of the first two oxidation potentials, ?E = E2 - E1, with increasing carbon chain length. The X-ray-determined molecular structures of Ru*-C8-Si, Ru*-C8-Ru*, Ru*-C14-Ru* (two C6H6 solvates), {Ru(PPh3)2Cp}2{?-(Ctriple bond; length of mdashC)4}4CHCl3Ru-C8-Ru4CHCl3 and of Fe(C3-Ru*)2 and Fe(C3-Ru*)(C5-Ru*) are reported.

  17. On the solubility of yttrium in RuO{sub 2}

    SciTech Connect (OSTI)

    Music, Denis; Zumdick, Naemi A.; Hallstedt, Bengt; Schneider, Jochen M.

    2011-09-01

    We have investigated the solubility of Y in rutile RuO{sub 2} using experimental and theoretical methods. Nanostructured Ru-Y-O thin films were synthesized via combinatorial reactive sputtering with an O/metal ratio of 2.6 and a Y content of 0.3 to 12.6 at. %. A solubility limit of 1.7 at. % was identified using x-ray photoelectron spectroscopy and x-ray diffraction. Based on ab initio and thermodynamic modeling, the solubility of Y can be understood. Smaller Y amounts are incorporated into the lattice, forming a metastable film, with local structural deformations due to size effects. As the Y content is increased, extensive local structural deformations are observed, but phase separation does not occur due to kinetic limitations. Nanostructured RuO{sub 2} alloyed with Y might lead to enhanced phonon scattering and quantum confinement effects, which in turn improve the thermoelectric efficiency.

  18. Catalytic Ionic Hydrogenation of Ketones by {[Cp*Ru(CO)2]2(? H)}+

    SciTech Connect (OSTI)

    Fagan, Paul J.; Voges, Mark H.; Bullock, R. Morris

    2010-02-22

    {[Cp*Ru(CO)2]2(? H)}+OTf functions as a homogeneous catalyst precursor for hydrogenation of ketones to alcohols, with hydrogenations at 1 mol % catalyst loading at 90 C under H2 (820 psi) proceeding to completion and providing >90% yields. Hydrogenation of methyl levulinate generates ?-valerolactone, presumably by ring-closing of the initially formed alcohol with the methyl ester. Experiments in neat Et2C=O show that the catalyst loading can be <0.1 mole %, and that at least 1200 turnovers of the catalyst can be obtained. These reactions are proposed to proceed by an ionic hydrogenation pathway, with the highly acidic dihydrogen complex [Cp*Ru(CO)2(?2-H2)]+OTf- being formed under the reaction conditions from reaction of H2 with {[Cp*Ru(CO)2]2(? H)}+OTf .

  19. Ferromagnetic Kondo lattice CeRuSi{sub 2} with non-Fermi-liquid behavior

    SciTech Connect (OSTI)

    Nikiforov, V. N.; Baran, M.; Irkhin, V. Yu.

    2013-05-15

    The structure, electronic, thermodynamic, and magnetic properties of the CeRuSi{sub 2} Kondo lattice with ferromagnetic ordering characterized by a small moment of the ground state are investigated. Anomalies in the temperature dependences of heat capacity and resistivity (unusual power or logarithmic behavior) observed in the low-temperature range indicate a non-Fermi-liquid behavior. The results are compared with those for other Ce{sub l}Ru{sub n}X{sub m} compounds and anomalous systems based on rare-earth elements and actinides that had been studied earlier.

  20. BIG RU N INDIANA LAKESHORE RUN E LUMBER CIT Y WARSAW JOHNST

    Gasoline and Diesel Fuel Update (EIA)

    RU N INDIANA LAKESHORE RUN E LUMBER CIT Y WARSAW JOHNST OWN BU RNSIDE MILLSTONE FROSTBUR G JUN EAU PLU MVILLE CHERRY HILL KAN E BOSWELL MAR ION CENT ER CREEKSIDE SALTSBUR G POINT N BLAIR SVILL E COU NCIL RU N SIGEL LEWISVILLE BEAR C REEK AR MBRUST OHIOPYLE HALLT ON BR OOKVILLE MAR KTON NOL O RAT HMEL COR SICA MAR CHAND SMIC KSBU RG HOWE APOLLO SEVEN SPRIN GS YAT ESBORO MCNEES LUCIND A GEORGE PIN EY LEEPER TIMBLIN WILL ET FERGUSON CLIMAX PANIC DAVY HILL TIDIOUT E GRAMPIAN SLIGO ROC KVI LLE

  1. Tuning the metal-insulator crossover and magnetism in SrRuO3 by ionic

    Office of Scientific and Technical Information (OSTI)

    gating (Journal Article) | SciTech Connect Journal Article: Tuning the metal-insulator crossover and magnetism in SrRuO3 by ionic gating Citation Details In-Document Search Title: Tuning the metal-insulator crossover and magnetism in SrRuO3 by ionic gating Reversible control of charge transport and magnetic properties without degradation is a key for device applications of transition metal oxides. Chemical doping during the growth of transition metal oxides can result in large changes in

  2. Effects of varying CoCrV seed layer deposition pressure on Ru crystallinity in perpendicular magnetic recording media

    SciTech Connect (OSTI)

    Joost, W. [Heraeus Materials Technology, Chandler, Arizona 85226 (United States); School of Materials, Arizona State University, Tempe, Arizona 85287 (United States); Das, A. [Heraeus Materials Technology, Chandler, Arizona 85226 (United States); Alford, T. L. [School of Materials, Arizona State University, Tempe, Arizona 85287 (United States)

    2009-10-01

    The effects of varying deposition parameters of a CoCrV seed layer under Ru on the structural and interfacial properties of both layers were studied. While sputtering power showed little effect on film structure, sputtering pressure during deposition of the seed layer had a significant effect on the structural properties of the seed layer. In particular, the grain morphology and crystallinity of the seed layer varied considerably with deposition pressure. Deposition of Ru using a constant recipe for all samples demonstrated the effect of varying seed layer deposition pressure on the Ru layer. The strain energy of the Ru film, a measurement of contraction due to the registry with the seed layer, was greatest at moderate seed layer sputtering pressures, while the Ru(0002) peak area was greatest at low sputtering pressures. The competing contributions of interfacial energy and strain energy describe this effect, with interfacial energy dominating at low sputtering pressures.

  3. Heteroepitaxial growth of highly conductive metal oxide RuO{sub 2} thin films by pulsed laser deposition

    SciTech Connect (OSTI)

    Jia, Q.X.; Wu, X.D.; Foltyn, S.R.; Findikoglu, A.T.; Tiwari, P.; Zheng, J.P.; Jow, T.R.

    1995-09-18

    Highly conductive ruthenium oxide (RuO{sub 2}) has been epitaxially grown on LaAlO{sub 3} substrates by pulsed laser deposition. The RuO{sub 2} film is ({ital h}00) oriented normal to the substrate surface. The heteroepitaxial growth of RuO{sub 2} on LaAlO{sub 3} is demonstrated by the strong in-plane orientation of thin films with respect to the major axes of the substrate. High crystallinity of RuO{sub 2} thin films is also determined from Rutherford backscattering channeling measurements. Electrical measurements on the RuO{sub 2} thin films demonstrate a quite low room-temperature resistivity of 35{plus_minus}2 {mu}{Omega} cm at deposition temperatures of above 500 {degree}C. {copyright} {ital 1995} {ital American} {ital Institute} {ital of} {ital Physics}.

  4. NiW and NiRu Bimetallic Catalysts for Ethylene Steam Reforming: Alternative Mechanisms for Sulfur Resistance

    SciTech Connect (OSTI)

    Rangan, M.; Yung, M. M.; Medlin, J. W.

    2012-06-01

    Previous investigations of Ni-based catalysts for the steam reforming of hydrocarbons have indicated that the addition of a second metal can reduce the effects of sulfur poisoning. Two systems that have previously shown promise for such applications, NiW and NiRu, are considered here for the steam reforming of ethylene, a key component of biomass derived tars. Monometallic and bimetallic Al{sub 2}O{sub 3}-supported Ni and W catalysts were employed for ethylene steam reforming in the presence and absence of sulfur. The NiW catalysts were less active than Ni in the absence of sulfur, but were more active in the presence of 50 ppm H{sub 2}S. The mechanism for the W-induced improvements in sulfur resistance appears to be different from that for Ru in NiRu. To probe reasons for the sulfur resistance of NiRu, the adsorption of S and C{sub 2}H{sub 4} on several bimetallic NiRu alloy surfaces ranging from 11 to 33 % Ru was studied using density functional theory (DFT). The DFT studies reveal that sulfur adsorption is generally favored on hollow sites containing Ru. Ethylene preferentially adsorbs atop the Ru atom in all the NiRu (111) alloys investigated. By comparing trends across the various bimetallic models considered, sulfur adsorption was observed to be correlated with the density of occupied states near the Fermi level while C{sub 2}H{sub 4} adsorption was correlated with the number of unoccupied states in the d-band. The diverging mechanisms for S and C{sub 2}H{sub 4} adsorption allow for bimetallic surfaces such as NiRu that enhance ethylene binding without accompanying increases in sulfur binding energy. In contrast, bimetallics such as NiSn and NiW appear to decrease the affinity of the surface for both the reagent and the poison.

  5. MgO-Supported Cluster Catalysts with Pt-Ru Interactions Prepared from Pt3Ru6(CO)21(u3-H)(u-H)3

    SciTech Connect (OSTI)

    Chotisuwan,S.; Wittapyakun, J.; Lobo-Lapidus, R.; Gates, B.

    2007-01-01

    Bimetallic MgO-supported catalysts were prepared by adsorption of Pt{sub 3}Ru{sub 6}(CO){sub 21}({mu}{sub 3}-H)({mu}-H){sub 3} on porous MgO. Characterization of the supported clusters by infrared (IR) spectroscopy showed that the adsorbed species were still in the form of metal carbonyls. The supported clusters were decarbonylated by treatment in flowing helium at 300 C, as shown by IR and extended X-ray absorption fine structure (EXAFS) data, and the resulting supported PtRu clusters were shown by EXAFS spectroscopy to have metal frames that retained Pt-Ru bonds but were slightly restructured relative to those of the precursor; the average cluster size was almost unchanged as a result of the decarbonylation. These are among the smallest reported bimetallic clusters of group-8 metals. The decarbonylated sample catalyzed ethylene hydrogenation with an activity similar to that reported previously for {gamma}-Al{sub 2}O{sub 3}-supported clusters prepared in nearly the same way and having nearly the same structure. Both samples were also active for n-butane hydrogenolysis, with the MgO-supported catalyst being more active than the {gamma}-Al{sub 2}O{sub 3}-supported catalyst.

  6. Behavior of the Ru-bda water oxidation catalyst covalently anchored on glassy carbon electrodes

    SciTech Connect (OSTI)

    Matheu, Roc; Francs, Laia; Chernev, Petko; Ertem, Mehmed Z.; Batista, Victor; Haumann, Michael; Sala, Xavier; Llobet, Antoni

    2015-05-07

    Electrochemical reduction of the dizaonium complex, [RuII(bda)(NO)(NN2)2]3+, 23+ (NN22+ is 4-(pyridin-4-yl) benzenediazonium and bda2 is [2,2'-bipyridine]-6,6'-dicarboxylate), in acetone produces the covalent grafting of this molecular complex onto glassy carbon (GC) electrodes. Multiple cycling voltammetric experiments on the GC electrode generates hybrid materials labeled as GC-4, with the corresponding Ru-aqua complex anchored on the graphite surface. GC-4 has been characterized at pH = 7.0 by electrochemical techniques and X-ray absorption spectroscopy (XAS) and has been shown to act as an active catalyst for the oxidation of water to dioxygen. This new hybrid material has a lower catalytic performance than its counterpart in homogeneous phase and progressively decomposes to form RuO2 at the electrode surface. The resulting metal oxide attached at the GC electrode surface, GC-RuO2, is a very fast and rugged heterogeneous water oxidation catalyst with TOFis of 300 s1 and TONs >45000. The observed performance is comparable to the best electrocatalysts reported so far, at neutral pH.

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

    SciTech Connect (OSTI)

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

    2008-01-01

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

  8. Influence of nanostructure on charge transport in RuO{sub 2} thin films

    SciTech Connect (OSTI)

    Steeves, M. M.; Lad, R. J.

    2010-07-15

    Polycrystalline thin films of RuO{sub 2} were grown on fused-quartz substrates and a parametric study was carried out to probe the influence of film nanostructure on the four-point Van der Pauw resistivity and Hall coefficient. The films were grown via reactive rf magnetron sputtering of a Ru target in an Ar/O{sub 2} plasma using deposition rates from 0.27 to 3.5 A/s and substrate temperatures from 16 to 500 deg. C Room-temperature resistivities of the RuO{sub 2} films ranged from 58 to 360 {mu}{Omega} cm. Upon first heating following deposition, some films showed decreasing resistivity with increasing temperature, but the resistivities also decreased upon subsequent cooling suggesting that the annealing treatment reduces the film defect density. The temperature coefficient of resistance was found to be small (<0.001 K{sup -1}) in agreement with previous investigations. Hall coefficient measurements of the polycrystalline thin films demonstrated that either n-type or p-type majority carriers can be present depending on deposition conditions and the resulting nanostructure, in contrast to single-crystal RuO{sub 2}, which is an n-type metal. Grain size and homogeneous strain within the films were measured by x-ray diffraction and are correlated to the majority carrier type.

  9. Behavior of the Ru-bda water oxidation catalyst covalently anchored on glassy carbon electrodes

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

    Matheu, Roc; Francàs, Laia; Chernev, Petko; Ertem, Mehmed Z.; Batista, Victor; Haumann, Michael; Sala, Xavier; Llobet, Antoni

    2015-05-07

    Electrochemical reduction of the dizaonium complex, [RuII(bda)(NO)(N–N2)2]3+, 23+ (N–N22+ is 4-(pyridin-4-yl) benzenediazonium and bda2– is [2,2'-bipyridine]-6,6'-dicarboxylate), in acetone produces the covalent grafting of this molecular complex onto glassy carbon (GC) electrodes. Multiple cycling voltammetric experiments on the GC electrode generates hybrid materials labeled as GC-4, with the corresponding Ru-aqua complex anchored on the graphite surface. GC-4 has been characterized at pH = 7.0 by electrochemical techniques and X-ray absorption spectroscopy (XAS) and has been shown to act as an active catalyst for the oxidation of water to dioxygen. This new hybrid material has a lower catalytic performance than its counterpartmore » in homogeneous phase and progressively decomposes to form RuO2 at the electrode surface. The resulting metal oxide attached at the GC electrode surface, GC-RuO2, is a very fast and rugged heterogeneous water oxidation catalyst with TOFis of 300 s–1 and TONs >45000. The observed performance is comparable to the best electrocatalysts reported so far, at neutral pH.« less

  10. Structural and Architectural Evaluation of Bimetallic Nanoparticles: A Case Study of Pt−Ru Core−Shell and Alloy Nanoparticles

    SciTech Connect (OSTI)

    Alayoglu, S.; Zavalij, P; Eichhorn, B; Wang, Q; Frenkel, A; Chupas, P

    2009-01-01

    A comprehensive structural/architectural evaluation of the PtRu (1:1) alloy and Ru at Pt core-shell nanoparticles (NPs) provides spatially resolved structural information on sub-5 nm NPs. A combination of extended X-ray absorption fine structure (EXAFS), X-ray absorption near edge structure (XANES), pair distribution function (PDF) analyses, Debye function simulations of X-ray diffraction (XRD), and field emission transmission electron microscopy/energy dispersive spectroscopy (FE-TEM/EDS) analyses provides complementary information used to construct a detailed picture of the core/shell and alloy nanostructures. The 4.4 nm PtRu (1:1) alloys are crystalline homogeneous random alloys with little twinning in a typical face-centered cubic (fcc) cell. The Pt atoms are predominantly metallic, whereas the Ru atoms are partially oxidized and are presumably located on the NP surface. The 4.0 nm Ru at Pt NPs have highly distorted hcp Ru cores that are primarily in the metallic state but show little order beyond 8 A. In contrast, the 1-2 monolayer thick Pt shells are relatively crystalline but are slightly distorted (compressed) relative to bulk fcc Pt. The homo- and heterometallic coordination numbers and bond lengths are equal to those predicted by the model cluster structure, showing that the Ru and Pt metals remain phase-separated in the core and shell components and that the interface between the core and shell is quite normal.

  11. Crystal and magnetic structure of Ca{sub 3}Ru{sub 2}O{sub 7} (Journal

    Office of Scientific and Technical Information (OSTI)

    Article) | SciTech Connect and magnetic structure of Ca{sub 3}Ru{sub 2}O{sub 7} Citation Details In-Document Search Title: Crystal and magnetic structure of Ca{sub 3}Ru{sub 2}O{sub 7} The crystal structure of the double-layered Ca{sub 3}Ru{sub 2}O{sub 7} has been studied by convergent beam electron diffraction and powder neutron diffraction. The temperature dependence of the diffraction pattern reveals that all the lattice constants jump at the first-order metal-nonmetal transition at 48 K

  12. Simulating Ru L3-Edge X-ray Absorption Spectroscopy with Time-Dependent Density Functional Theory: Model Complexes and Electron Localization in Mixed-Valence Metal Dimers

    SciTech Connect (OSTI)

    Kuiken, Benjamin E. Van; Valiev, Marat; Daifuku, Stephanie L.; Bannan, Caitlin; Strader, Matthew L.; Cho, Hana; Huse, Nils; Schoenlein, Robert W.; Govind, Niranjan; Khalil, Munira

    2013-04-26

    Ruthenium L3-edge X-ray absorption (XA) spectroscopy probes unoccupied 4d orbitals of the metal atom and is increasingly being used to investigate the local electronic structure in ground and excited electronic states of Ru complexes. The simultaneous development of computational tools for simulating Ru L3-edge spectra is crucial for interpreting the spectral features at a molecular level. This study demonstrates that time-dependent density functional theory (TDDFT) is a viable and predictive tool for simulating ruthenium L3-edge XA spectroscopy. We systematically investigate the effects of exchange correlation functional and implicit and explicit solvent interactions on a series of RuII and RuIII complexes in their ground and electronic excited states. The TDDFT simulations reproduce all of the experimentally observed features in Ru L3-edge XA spectra within the experimental resolution (0.4 eV). Our simulations identify ligand-specific charge transfer features in complicated Ru L3-edge spectra of [Ru(CN)6]4- and RuII polypyridyl complexes illustrating the advantage of using TDDFT in complex systems. We conclude that the B3LYP functional most accurately predicts the transition energies of charge transfer features in these systems. We use our TDDFT approach to simulate experimental Ru L3-edge XA spectra of transition metal mixed-valence dimers of the form [(NC)5MII-CN-RuIII(NH3)5] (where M = Fe or Ru) dissolved in water. Our study determines the spectral signatures of electron delocalization in Ru L3-edge XA spectra. We find that the inclusion of explicit solvent molecules is necessary for reproducing the spectral features and the experimentally determined valencies in these mixed-valence complexes. This study validates the use of TDDFT for simulating Ru 2p excitations using popular quantum chemistry codes and providing a powerful interpretive tool for equilibrium and ultrafast Ru L3-edge XA spectroscopy.

  13. Oblique-incidence sputtering of Ru intermediate layer for decoupling of intergranular exchange in perpendicular recording media

    SciTech Connect (OSTI)

    Saito, Shin; Inoue, Ken; Takahashi, Migaku

    2011-04-01

    During the Ru deposition process for granular type perpendicular magnetic recording media, both a reduction in the Ru intermediate layer thickness and lowering of sputtering gas pressure were successfully achieved by focusing on a self-shadowing effect. Oblique-incidence sputtering with a 60 deg. incident angle under an Ar gas pressure of 0.6 Pa yielded (1) columnar Ru grains with a growth direction of 30 deg. from the film normal, (2) c-plane sheet texture by epitaxial growth on the Pt underlayer, and (3) a flat envelope of the surface and a deep gap at grain boundaries. This change in the Ru structure significantly contributes to reducing exchange coupling among magnetic grains, especially in the initial growth region in an overlying granular medium.

  14. Sr{sub 4}Ru{sub 6}ClO{sub 18}, a new Ru{sup 4+/5+} oxy-chloride, solved by precession electron diffraction: Electric and magnetic behavior

    SciTech Connect (OSTI)

    Roussel, Pascal; Palatinus, Lukas; Belva, Frdric; Daviero-Minaud, Sylvie; Mentre, Olivier; Huve, Marielle

    2014-04-01

    The crystal structure of Sr{sub 4}Ru{sub 6}ClO{sub 18}, a new Ru{sup 4+/5+} oxo-chloride, has been determined from Precession Electron Diffraction (PED) data acquired on a nanocrystal in a transmission electron microscope using the technique of electron diffraction tomography. This approach is described in details following a pedagogic route and a systematic comparison is made of this rather new method with other experimental methods of electron diffraction, and with the standard single crystal X-ray diffraction technique. Both transport and magnetic measurements, showed a transition at low temperature that may be correlated to Ru{sup 4+}/Ru{sup 5+} charge ordering. - Graphical abstract: Structure of Sr{sub 4}Ru{sub 6}ClO{sub 18}, determined using Precession Electron Diffraction data. - Highlights: Structure of Sr{sub 4}Ru{sub 6}ClO{sub 18} was solved ab initio using precession electron diffraction. This was done both on a nanometric sample and on a micrometric one. Different type of experimental methods of electron diffraction are compared. Single crystal X-ray diffraction was used to confirm the results. Transport properties were characterized and show exotic behavior.

  15. Pulsed laser deposition and characterization of conductive RuO{sub 2} thin films

    SciTech Connect (OSTI)

    Iembo, A.; Fuso, F.; Arimondo, E.; Ciofi, C.; Pennelli, G.; Curro, G.M.; Neri, F.; Allegrini, M. |

    1997-06-01

    RuO{sub 2} thin films have been produced on silicon-based substrates by {ital in situ} pulsed laser deposition for the first time. The electrical properties, the surface characteristics, the crystalline structure, and the film-substrate interface of deposited samples have been investigated by 4-probe resistance versus temperature technique, scanning electron microscopy, x-ray photoelectron spectroscopy, x-ray diffraction, and transmission electron microscopy, respectively. The films show good electrical properties. The RuO{sub 2}-substrate interface is very thin ({approx}3 nm), since not degraded by any annealing process. These two characteristics render our films suitable to be used as electrodes in PZT-based capacitors.{copyright} {ital 1997 Materials Research Society.}

  16. Upper limit on spontaneous supercurrents in Sr2RuO4

    SciTech Connect (OSTI)

    Chung, Suk Bum

    2010-04-05

    It is widely believed that the perovskite Sr{sub 2}RuO{sub 4} is an unconventional superconductor with broken time reversal symmetry. It has been predicted that superconductors with broken time reversal symmetry should have spontaneously generated supercurrents at edges and domain walls. We have done careful imaging of the magnetic fields above Sr{sub 2}RuO{sub 4} single crystals using scanning Hall bar and SQUID microscopies, and see no evidence for such spontaneously generated supercurrents. We use the results from our magnetic imaging to place upper limits on the spontaneously generated supercurrents at edges and domain walls as a function of domain size. For a single domain, this upper limit is below the predicted signal by two orders of magnitude. We speculate on the causes and implications of the lack of large spontaneous supercurrents in this very interesting superconducting system.

  17. Characteristics of conductive SrRuO{sub 3} thin films with different microstructures

    SciTech Connect (OSTI)

    Jia, Q.X.; Chu, F.; Adams, C.D.; Wu, X.D.; Hawley, M.; Cho, J.H.; Findikoglu, A.T.; Foltyn, S.R.; Smith, J.L.; Mitchell, T.E.

    1996-09-01

    Conductive SrRuO{sub 3} thin films were epitaxially grown on (100) LaAlO{sub 3} substrates by pulsed laser deposition over a temperature range from 650{degree}C to 825{degree}C. Well-textured films exhibiting a strong orientation relationship to the underlying substrate could be obtained at a deposition temperature as low as 450{degree}C. The degree of crystallinity of the films improved with increasing deposition temperature as confirmed by x-ray diffraction, transmission electron microscopy, and scanning tunneling microscopy. Scanning electron microscopy revealed no particulates on the film surface. The resistivity of the SrRuO{sub 3} thin films was found to be a strong function of the crystallinity of the film and hence the substrate temperature during film deposition. A residual resistivity ratio (RRR={rho}{sub 300K}/{rho}{sub 4.2K}) of more than 8 was obtained for the SrRuO{sub 3} thin films deposited under optimized processing conditions. {copyright} {ital 1996 Materials Research Society.}

  18. Manipulating Magnetism: Ru-2(5+) Paddlewheels Devoid of Axial Interactions

    SciTech Connect (OSTI)

    Chiarella, Gina M [Texas A& M University; Cotton, F. A. [Texas A& M University; Murillo, Carlos A [Texas A& M University; Ventura, Karen [University of Texas at El Paso; Vilagran, Dino [University of Texas at El Paso; Wang, Xiaoping [ORNL

    2014-01-01

    Variable-temperature magnetic and structural data of two pairs of diruthenium isomers, one pair having an axial ligand and the formula Ru-2(DArF)(4)Cl (where DArF is the anion of a diarylformamidine isomer and Ar = p-anisyl or m-anisyl) and the other one being essentially identical but devoid of axial ligands and having the formula [Ru-2(DArF)(4)]BF4, show that the axial ligand has a significant effect on the electronic structure of the diruthenium unit. Variable temperature crystallographic and magnetic data as well as density functional theory calculations unequivocally demonstrate the occurrence of pi interactions between the p orbitals of the chlorine ligand and the pi* orbitals in the Ru-2(5+) units. The magnetic and structural data are consistent with the existence of combined ligand sigma/metal sigma and ligand p pi/metal-d pi interactions. Electron paramagnetic resonance data show unambiguously that the unpaired electrons are in metal-based molecular orbitals.

  19. Catalytic Ionic Hydrogenation of Ketones by {[Cp*Ru(CO)2]2(-H)}+

    SciTech Connect (OSTI)

    Bullock, R.M.; Fagan, P.J.; Voges, M.H.

    2010-02-22

    {l_brace}[Cp*Ru(CO){sub 2}]{sub 2}({mu}-H){r_brace}{sup +}OTf{sup -} functions as a homogeneous catalyst precursor for hydrogenation of ketones to alcohols, with hydrogenations at 1 mol % catalyst loading at 90 C under H{sub 2} (820 psi) proceeding to completion and providing >90% yields. Hydrogenation of methyl levulinate generates {gamma}-valerolactone, presumably by ring-closing of the initially formed alcohol with the methyl ester. Experiments in neat Et{sub 2}C=O show that the catalyst loading can be <0.1 mol % and that at least 1200 turnovers of the catalyst can be obtained. These reactions are proposed to proceed by an ionic hydrogenation pathway, with the highly acidic dihydrogen complex [Cp*Ru(CO){sub 2}({eta}{sup 2}-H{sub 2})]{sup +}OTf{sup -} being formed under the reaction conditions from reaction of H2 with {l_brace}[Cp*Ru(CO){sub 2}]{sub 2}({mu}-H){r_brace}{sup +}OTf{sup -}.

  20. High antiferromagnetic transition temperature of a honeycomb compound SrRu2O6

    SciTech Connect (OSTI)

    Tian, Wei; Svoboda, Chris; Ochi, M.; Matsuda, M.; Cao, Huibo; Cheng, J. -G.; Sales, B. C.; Mandrus, D.; Arita, R.; Trivedi, Nandini; Yan, Jiaqiang

    2015-09-14

    We study the high-temperature magnetic order in a quasi-two-dimensional honeycomb compound SrRu2O6 by measuring magnetization and neutron powder diffraction with both polarized and unpolarized neutrons. SrRu2O6 crystallizes into the hexagonal lead antimonate (PbSb2O6, space group P31m) structure with layers of edge-sharing RuO6 octahedra separated by Sr2+ ions. SrRu2O6 is found to order at TN = 565 K with Ru moments coupled antiferromagnetically both in plane and out of plane. The magnetic moment is 1.30(2) ?B/Ru at room temperature and is along the crystallographic c axis in the G-type magnetic structure. We perform density functional calculations with constrained random-phase approximation (RPA) to obtain the electronic structure and effective intra- and interorbital interaction parameters. The projected density of states shows strong hybridization between Ru 4d and O 2p. By downfolding to the target t2g bands we extract the effective magnetic Hamiltonian and perform Monte Carlo simulations to determine the transition temperature as a function of interand intraplane couplings. We find a weak interplane coupling, 3% of the strong intraplane coupling, permits three-dimensional magnetic order at the observed TN .

  1. Features of the band structure and conduction mechanisms in the n-HfNiSn semiconductor heavily doped with Ru

    SciTech Connect (OSTI)

    Romaka, V. A.; Rogl, P.; Romaka, V. V.; Stadnyk, Yu. V.; Korzh, R. O.; Krayovskyy, V. Ya.; Horyn, A. M.

    2014-12-15

    The crystal and electronic structure and energy and kinetic properties of the n-HfNiSn semiconductor heavily doped with a Ru acceptor impurity are investigated in the temperature and Ru concentration ranges T = 80400 K and N{sub A}{sup Ru} ? 9.5 10{sup 19}?5.7 10{sup 20} cm{sup ?3} (x = 00.03), respectively. The mechanism of structural-defect generation is established, which changes the band gap and degree of compensation of the semiconductor and consists in the simultaneous concentration reduction and elimination of donor structural defects by means of the displacement of ?1% of Ni atoms from the Hf (4a) positions, the generation of acceptor structural defects upon the substitution of Ru atoms for Ni atoms in the 4c positions, and the generation of donor defects in the form of vacancies in the Sn (4b) positions. The calculated electronic structure of HfNi{sub 1?x}Ru{sub x}Sn is consistent with the experiment. The results obtained are discussed within the Shklovsky-Efros model for a heavily doped and compensated semiconductor.

  2. Observation of large magnetocaloric effect in HoRu{sub 2}Si{sub 2}

    SciTech Connect (OSTI)

    Paramanik, Tapas Das, Kalipada; Das, I.

    2014-02-28

    Detailed magnetic, magnetotransport, and magnetocaloric measurements on HoRu{sub 2}Si{sub 2} have been performed. In this Letter, we report presence of spin reorientation transition below paramagnetic to antiferromagnetic transition temperature (T{sub N} = 19 K). Large magnetic entropy change 9.1 J/kg K and large negative magnetoresistance ∼21% in a magnetic field of 5 T has been observed around T{sub N}, which is associated with field induced spin-flip metamagnetic transition.

  3. Ru{sub 2}Ge{sub 3}: Crystal growth and some properties

    SciTech Connect (OSTI)

    Borshchevsky, A.; Fleurial, J.P.

    1993-10-01

    Large samples of Ru{sub 2}Ge{sub 3} were grown from Ge-rich off-stoichiometric melts at a temperature close to 1,460 C by a vertical gradient freeze method in graphite and glassy carbon crucibles. Diffusionless transition from high temperature tetragonal structure to low temperature orthorhombic structure causes twinning and crack formation. Thermal expansion coefficients of both low and high temperature phases were measured. Some electrical transport properties in the 25--1,000 C temperature range in different crystallographic directions are also described for this high temperature semiconductor. Substantial anisotropy is observed.

  4. Self-calibration of a W/Re thermocouple using a miniature Ru-C (1954 C) eutectic cell

    SciTech Connect (OSTI)

    Ongrai, O. [National Physical Laboratory (NPL), Hampton Road, Teddington, Middlesex (United Kingdom) [National Physical Laboratory (NPL), Hampton Road, Teddington, Middlesex (United Kingdom); University of Surrey, Guildford, Surrey (United Kingdom); National Institute of Metrology, Klong 5, Klong Luang, Pathumthani (Thailand); Pearce, J. V.; Machin, G. [National Physical Laboratory (NPL), Hampton Road, Teddington, Middlesex (United Kingdom)] [National Physical Laboratory (NPL), Hampton Road, Teddington, Middlesex (United Kingdom); Sweeney, S. J. [University of Surrey, Guildford, Surrey (United Kingdom)] [University of Surrey, Guildford, Surrey (United Kingdom)

    2013-09-11

    Previous successful investigations of miniature cobalt-carbon (Co-C, 1324 C) and palladium-carbon (Pd-C, 1492 C) high temperature fixed-point cells for thermocouple self-calibration have been reported [1-2]. In the present work, we describe a series of measurements of a miniature ruthenium-carbon (Ru-C) eutectic cell (melting point 1954 C) to evaluate the repeatability and stability of a W/Re thermocouple (type C) by means of in-situ calibration. A miniature Ru-C eutectic fixed-point cell with outside diameter 14 mm and length 30 mm was fabricated to be used as a self-calibrating device. The performance of the miniature Ru-C cell and the type C thermocouple is presented, including characterization of the stability, repeatability, thermal environment influence, ITS-90 temperature realization and measurement uncertainty.

  5. Coupling reactions of phenylacetylene with water, hydrogen sulfide and primary amines mediated by a Ru(II) phenylvinylidene complex

    SciTech Connect (OSTI)

    Bianchini, C.; Peruzzini, M.; Zanobini, F. [Istituto per lo Studio della Stereochimica ed Energetica dei Composti di Coordinazione, Florence (Italy)] [and others

    1995-12-31

    The Ru(II) fragment [(PNP)RuCl{sub 2}] assists the reaction of phenylacetylene with water, hydrogen sulfide and primary amines to give carbonyl, {eta}{sup 1}-benzylthioaldehyde, and isonitrile complexes, respectively [PNP = CH{sub 3}CH{sub 2}CH{sub 2}N(CH{sub 2}CH{sub 2}PPh{sub 2}){sub 2}]. In all of these processes, the reaction is initiated by the 1-alkyne to vinylidene tautomerization at the Ru(II) center, followed by attack of the H{sub 2}Z molecule (Z = O, S, NR) on the vinylidene ligand. The mechanisms which account for these transformations have been completely elucidated and several of the intermediates in these reactions have been isolated and fully characterized. The scope of these reactions in view of their potential applications in organic syntheses involving thioaldehydes and optically pure isonitriles will be briefly presented.

  6. Multifold Seebeck increase in RuO{sub 2} films by quantum-guided lanthanide dilute alloying

    SciTech Connect (OSTI)

    Music, Denis Basse, Felix H.-U.; Schneider, Jochen M.; Han, Liang; Borca-Tasciuc, Theo; Devender; Gengler, Jamie J.; Voevodin, Andrey A.; Ramanath, Ganpati

    2014-02-03

    Ab initio predictions indicating that alloying RuO{sub 2} with La, Eu, or Lu can increase the Seebeck coefficient ? manifold due to quantum confinement effects are validated in sputter-deposited La-alloyed RuO{sub 2} films showing fourfold ? increase. Combinatorial screening reveals that ? enhancement correlates with La-induced lattice distortion, which also decreases the thermal conductivity twentyfold, conducive for high thermoelectric figures of merit. These insights should facilitate the rational design of high efficiency oxide-based thermoelectrics through quantum-guided alloying.

  7. Growth of epitaxial (Sr,Ba){sub n+1}Ru{sub n}O{sub 3n+1} films

    SciTech Connect (OSTI)

    Schlom, D.G.; Knapp, S.B.; Wozniak, S. [Pennsylvania State Univ., University Park, PA (United States). Dept. of Materials Science and Engineering] [and others

    1997-12-01

    We have grown epitaxial (Sr,Ba) (n+1)Ru(n)O(3n+1) films, n = 1, 2, and infinity, by pulsed laser deposition (PLD) and controlled their orientation by choosing appropriate substrates. The growth conditions yielding phase pure films have been mapped out. Resistivity versus temperature measurements show that both a and c axis films of Sr2RuO4 are metallic, but not superconducting. The latter is probably due to the presence of low-level impurities that are difficult to avoid given the target preparation process involved in growing these films by PLD.

  8. Strain relaxation in epitaxial SrRuO{sub 3} thin films on LaAlO{sub 3} substrates

    SciTech Connect (OSTI)

    Gao, M.; Du, H.; Dai, C.; Lin, Y.; Ma, C. R.; Liu, M.; Collins, G.; Zhang, Y. M.; Chen, C. L.

    2013-09-30

    Strain relaxation behavior of epitaxial SrRuO{sub 3} thin films on (001) LaAlO{sub 3} substrates was investigated using high resolution X-ray diffraction. Lattice distortion and dislocation densities were systematically studied with samples under different growth conditions. Reciprocal space maps reveal different strain relaxation behavior in SrRuO{sub 3} thin films grown at different temperatures. Two kinds of strain relaxation mechanisms were proposed to understand the growth dynamics, including the evolution of threading dislocations and the tilt of crystalline planes.

  9. Spin-lozenge thermodynamics and magnetic excitations in Na3RuO4

    SciTech Connect (OSTI)

    Haraldsen, Jason T; Stone, Matthew B; Lumsden, Mark D; Barnes, Ted {F E }; Jin, Rongying; Taylor, J. W.; Fernandez-Alonso, F

    2009-01-01

    We report inelastic and elastic neutron scattering, magnetic susceptibility, and heat capacity measurements of polycrystalline sodium ruthenate (Na3RuO4). Previous work suggests this material consists of isolated tetramers of S = 3/2 Ru5+ ions in a so-called lozenge configuration. Using a Heisenberg antiferromagnet Hamiltonian, we analytically determine the energy eigenstates for general spin S. From this model, the neutron scattering cross-sections for excitations associated with spin-3/2 tetramer configurations is determined. Comparison of magnetic susceptibility and inelastic neutron scattering results shows that the proposed lozenge model is not distinctly supported, but provides evidence that the system may be better described as a pair of non-interacting inequivalent dimers, i.e double dimers. However, the existence of long-range magnetic order below Tc ≈ 28 K immediately questions such a description. Although no evidence of the lozenge model is observed, future studies on single crystals may further clarify the appropriate magnetic Hamiltonian.

  10. Intramolecular proton transfer boosts water oxidation catalyzed by a Ru complex

    SciTech Connect (OSTI)

    Matheu, Roc; Ertem, Mehmed Z.; Benet-Buchholz, J.; Coronado, Eugenio; Batista, Victor S.; Sala, Xavier; Llobet, Antoni

    2015-07-30

    We introduce a new family of complexes with the general formula [Run(tda)(py)2]m+ (n = 2, m = 0, 1; n = 3, m = 1, 2+; n = 4, m = 2, 32+), with tda2– being [2,2':6',2"-terpyridine]-6,6"-dicarboxylate, including complex [RuIV(OH)(tda-κ-N3O)(py)2]+, 4H+, which we find to be an impressive water oxidation catalyst, formed by hydroxo coordination to 32+ under basic conditions. The complexes are synthesized, isolated, and thoroughly characterized by analytical, spectroscopic (UV–vis, nuclear magnetic resonance, electron paramagnetic resonance), computational, and electrochemical techniques (cyclic voltammetry, differential pulse voltammetry, coulometry), including solid-state monocrystal X-ray diffraction analysis. In oxidation state IV, the Ru center is seven-coordinated and diamagnetic, whereas in oxidation state II, the complex has an unbonded dangling carboxylate and is six-coordinated while still diamagnetic. With oxidation state III, the coordination number is halfway between the coordination of oxidation states II and IV. Species generated in situ have also been characterized by spectroscopic, computational, and electrochemical techniques, together with the related species derived from a different degree of protonation and oxidation states. 4H+ can be generated potentiometrically, or voltammetrically, from 32+, and both coexist in solution. While complex 32+ is not catalytically active, the catalytic performance of complex 4H+ is characterized by the foot of the wave analysis, giving an impressive turnover frequency record of 8000 s–1 at pH 7.0 and 50,000 s–1 at pH 10.0. Density functional theory calculations provide a complete description of the water oxidation catalytic cycle of 4H+, manifesting the key functional role of the dangling carboxylate in lowering the activation free energies that lead to O–O bond formation.

  11. Understanding the Electronic Structure of 4d Metal Complexes: From Molecular Spinors to L-Edge Spectra of a di-Ru Catalyst

    SciTech Connect (OSTI)

    Alperovich, Igor; Smolentsev, Grigory; Moonshiram, Dooshaye; Jurss, Jonah W.; Concepcion, Javier J.; Meyer, Thomas J.; Soldatov, Alexander; Pushkar, Yulia

    2015-09-17

    L{sub 2,3}-edge X-ray absorption spectroscopy (XAS) has demonstrated unique capabilities for the analysis of the electronic structure of di-Ru complexes such as the blue dimer cis,cis-[Ru{sub 2}{sup III}O(H{sub 2}O){sub 2}(bpy){sub 4}]{sup 4+} water oxidation catalyst. Spectra of the blue dimer and the monomeric [Ru(NH{sub 3}){sub 6}]{sup 3+} model complex show considerably different splitting of the Ru L{sub 2,3} absorption edge, which reflects changes in the relative energies of the Ru 4d orbitals caused by hybridization with a bridging ligand and spin-orbit coupling effects. To aid the interpretation of spectroscopic data, we developed a new approach, which computes L{sub 2,3}-edges XAS spectra as dipole transitions between molecular spinors of 4d transition metal complexes. This allows for careful inclusion of the spin-orbit coupling effects and the hybridization of the Ru 4d and ligand orbitals. The obtained theoretical Ru L{sub 2,3}-edge spectra are in close agreement with experiment. Critically, existing single-electron methods (FEFF, FDMNES) broadly used to simulate XAS could not reproduce the experimental Ru L-edge spectra for the [Ru(NH{sub 3}){sub 6}]{sup 3+} model complex nor for the blue dimer, while charge transfer multiplet (CTM) calculations were not applicable due to the complexity and low symmetry of the blue dimer water oxidation catalyst. We demonstrated that L-edge spectroscopy is informative for analysis of bridging metal complexes. The developed computational approach enhances L-edge spectroscopy as a tool for analysis of the electronic structures of complexes, materials, catalysts, and reactive intermediates with 4d transition metals.

  12. Thickness-dependent metal-insulator transition in epitaxial SrRuO? ultrathin films

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

    Shen, Xuan; Qiu, Xiangbiao; Su, Dong; Zhou, Shengqiang; Li., Aidong; Wu, Di

    2015-01-06

    Transport characteristics of ultrathin SrRuO? films, deposited epitaxially on TiO?-terminated SrTiO? (001) single-crystal substrates, were studied as a function of film thickness. Evolution from a metallic to an insulating behavior is observed as the film thickness decreases from 20 to 4 unit cells. In films thicker than 4 unit cells, the transport behavior obeys the Drude low temperature conductivity with quantum corrections, which can be attributed to weak localization. Fitting the data with 2-dimensional localization model indicates that electron-phonon collisions are the main inelastic relaxation mechanism. In the film of 4 unit cells in thickness, the transport behavior follows variablemorerange hopping model, indicating a strongly localized state. Magnetoresistance measurements reveal a likely magnetic anisotropy with the magnetic easy axis along the out-of-plane direction.less

  13. Thickness-dependent metal-insulator transition in epitaxial SrRuO3 ultrathin films

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

    Shen, Xuan; Qiu, Xiangbiao; Su, Dong; Zhou, Shengqiang; Li, Aidong; Wu, Di

    2015-01-06

    Transport characteristics of ultrathin SrRuO₃ films, deposited epitaxially on TiO₂-terminated SrTiO₃ (001) single-crystal substrates, were studied as a function of film thickness. Evolution from a metallic to an insulating behavior is observed as the film thickness decreases from 20 to 4 unit cells. In films thicker than 4 unit cells, the transport behavior obeys the Drude low temperature conductivity with quantum corrections, which can be attributed to weak localization. Fitting the data with 2-dimensional localization model indicates that electron-phonon collisions are the main inelastic relaxation mechanism. In the film of 4 unit cells in thickness, the transport behavior follows variablemore » range hopping model, indicating a strongly localized state. As a result, magnetoresistance measurements reveal a likely magnetic anisotropy with the magnetic easy axis along the out-of-plane direction.« less

  14. Probing the transition state region in catalytic CO oxidation on Ru

    SciTech Connect (OSTI)

    Ostrom, H.; Oberg, H.; Xin, H.; LaRue, J.; Beye, M.; Dell'Angela, M.; Gladh, J.; Ng, M. L.; Sellberg, J. A.; Kaya, S.; Mercurio, G.; Nordlund, D.; Hantschmann, M.; Hieke, F.; Kuhn, D.; Schlotter, W. F.; Dakovski, G. L.; Turner, J. J.; Minitti, M. P.; Mitra, A.; Moeller, S. P.; Fohlisch, A.; Wolf, M.; Wurth, W.; Persson, M.; Norskov, J. K.; Abild-Pedersen, F.; Ogasawara, H.; Pettersson, L. G. M.; Nilsson, A.

    2015-02-12

    Femtosecond x-ray laser pulses are used to probe the CO oxidation reaction on ruthenium (Ru) initiated by an optical laser pulse. On a time scale of a few hundred femtoseconds, the optical laser pulse excites motions of CO and O on the surface, allowing the reactants to collide, and, with a transient close to a picosecond (ps), new electronic states appear in the O K-edge x-ray absorption spectrum. Density functional theory calculations indicate that these result from changes in the adsorption site and bond formation between CO and O with a distribution of OCO bond lengths close to the transition state (TS). After 1 ps, 10% of the CO populate the TS region, which is consistent with predictions based on a quantum oscillator model.

  15. Synthesis and Characterization of RuO2/poly (3,4-ethylenedioxythiophene) (PEDOT) Composite Nanotubes for Supercapacitors

    SciTech Connect (OSTI)

    Liu, Ran; Duay, Jonathon; Lane, Timothy; Lee, Sang Bok

    2010-01-18

    We report the synthesis of composite RuO2/poly(3,4-ethylenedioxythiophene) (PEDOT) nanotubes with high specific capacitance and fast charging/discharging capability as well as their potential application as electrode materials for a high-energy and high-power supercapacitor. RuO2/PEDOT nanotubes were synthesized in a porous alumina membrane by a step-wise electrochemical deposition method, and their structures were characterized using electron microscopy. Cyclic voltammetry was used to qualitatively characterize the capacitive properties of the composite RuO2/PEDOT nanotubes. Their specific capacitance, energy density and power density were evaluated by galvanostatic charge/discharge cycles at various current densities. The pseudocapacitance behavior of these composite nanotubes originates from ion diffusion during the simultaneous and parallel redox processes of RuO2 and PEDOT. We show that the energy density (specific capacitance) of PEDOT nanotubes can be remarkably enhanced by electrodepositing RuO2 into their porous walls and onto their rough internal surfaces. The flexible PEDOT prevents the RuO2 from breaking and detaching from the current collector while the rigid RuO2 keeps the PEDOT nanotubes from collapsing and aggregating. The composite RuO2/PEDOT nanotube can reach a high power density of 20 kW kg-1 while maintaining 80% energy density (28 Wh kg-1) of its maximum value. This high power capability is attributed to the fast charge/discharge of nanotubular structures: hollow nanotubes allow counter-ions to readily penetrate into the composite material and access their internal surfaces, while a thin wall provides a short diffusion distance to facilitate ion transport. The high energy density originates from the RuO2, which can store high electrical/electrochemical energy intrinsically. The high specific capacitance (1217 Fg-1) which is contributed by the RuO2 in the composite RuO2/PEDOT nanotube is realized because of the high specific surface area of the nanotubular structures. Such PEDOT/RuO2 composite nanotube materials are an ideal candidate for the development of high-energy and high-power supercapacitors.

  16. Pt3Ru6 Clusters Supported on gamma-Al2O3: Synthesis from Pt3Ru6(Cu)21(u3-H)(u-H)3, Structural Characterization, and Catalysis of Ethylene Hydrogenation and n-Butane Hydrogenolysis

    SciTech Connect (OSTI)

    Chotisuwan,S.; Wittayakun, J.; Gates, B.

    2006-01-01

    The supported clusters Pt-Ru/{gamma}-Al{sub 2}O{sub 3} were prepared by adsorption of the bimetallic precursor Pt{sub 3}Ru{sub 6}(Cu){sub 21}({mu}{sub 3}-H)({mu}-H){sub 3} from CH{sub 2}Cl{sub 2} solution onto {gamma}-Al{sub 2}O{sub 3} followed by decarbonylation in He at 300 C. The resultant supported clusters were characterized by infrared (IR) and extended X-ray absorption fine structure (EXAFS) spectroscopies and as catalysts for ethylene hydrogenation and n-butane hydrogenolysis. After adsorption, the {nu}{sub CO} peaks characterizing the precursor shifted to lower wavenumbers, and some of the hydroxyl bands of the support disappeared or changed, indicating that the CO ligands of the precursor interacted with support hydroxyl groups. The EXAFS results show that the metal core of the precursor remained essentially unchanged upon adsorption, but there were distortions of the metal core indicated by changes in the metal-metal distances. After decarbonylation of the supported clusters, the EXAFS data indicated that Pt and Ru atoms interacted with support oxygen atoms and that about half of the Pt-Ru bonds were maintained, with the composition of the metal frame remaining almost unchanged. The decarbonylated supported bimetallic clusters reported here are the first having essentially the same metal core composition as that of a precursor metal carbonyl, and they appear to be the best-defined supported bimetallic clusters. The material was found to be an active catalyst for ethylene hydrogenation and n-butane hydrogenolysis under conditions mild enough to prevent substantial cluster disruption.

  17. Ultralow charge-transfer resistance with ultralow Pt loading for hydrogen evolution and oxidation using Ru@Pt core-shell nanocatalysts

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

    Wang, Jia X.; Zhang, Yu; Capuano, Christopher B.; Ayers, Katherine E.

    2015-07-15

    We evaluated the activities of well-defined Ru@Pt core-shell nanocatalysts for hydrogen evolution and oxidation reactions (HER-HOR) using hanging strips of gas diffusion electrode (GDE) in solution cells. With gas transport limitation alleviated by micro-porous channels in the GDEs, the charge transfer resistances (CTRs) at the hydrogen reversible potential were conveniently determined from linear fit of ohmic-loss-corrected polarization curves. In 1M HClO₄ at 23°C, a CTR as low as 0.04 Ω cm² was obtained with only 20 μg cm⁻² Pt and 11 μg cm⁻² Ru using the carbon-supported Ru@Pt with 1:1 Ru:Pt atomic ratio. Derived from temperature-dependent CTRs, the activation barriermore » of the Ru@Pt catalyst for the HER-HOR in acids is 0.2 eV or 19 kJ mol⁻¹. Using the Ru@Pt catalyst with total metal loadings <50 μg cm⁻² for the HER in proton-exchange-membrane water electrolyzers, we recorded uncompromised activity and durability compared to the baseline established with 3 mg cm⁻² Pt black.« less

  18. Ultralow charge-transfer resistance with ultralow Pt loading for hydrogen evolution and oxidation using Ru@Pt core-shell nanocatalysts

    SciTech Connect (OSTI)

    Wang, Jia X.; Zhang, Yu; Capuano, Christopher B.; Ayers, Katherine E.

    2015-07-15

    We evaluated the activities of well-defined Ru@Pt core-shell nanocatalysts for hydrogen evolution and oxidation reactions (HER-HOR) using hanging strips of gas diffusion electrode (GDE) in solution cells. With gas transport limitation alleviated by micro-porous channels in the GDEs, the charge transfer resistances (CTRs) at the hydrogen reversible potential were conveniently determined from linear fit of ohmic-loss-corrected polarization curves. In 1M HClO₄ at 23°C, a CTR as low as 0.04 Ω cm² was obtained with only 20 μg cm⁻² Pt and 11 μg cm⁻² Ru using the carbon-supported Ru@Pt with 1:1 Ru:Pt atomic ratio. Derived from temperature-dependent CTRs, the activation barrier of the Ru@Pt catalyst for the HER-HOR in acids is 0.2 eV or 19 kJ mol⁻¹. Using the Ru@Pt catalyst with total metal loadings <50 μg cm⁻² for the HER in proton-exchange-membrane water electrolyzers, we recorded uncompromised activity and durability compared to the baseline established with 3 mg cm⁻² Pt black.

  19. Chemical pressure tuning of URu2Si2 via isoelectronic substitution of Ru with Fe

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

    Das, Pinaki; Kanchanavatee, N.; Helton, J. S.; Huang, K.; Baumbach, R. E.; Bauer, E. D.; White, B. D.; Burnett, V. W.; Maple, M. B.; Lynn, J. W.; et al

    2015-02-26

    We have used specific heat and neutron diffraction measurements on single crystals of URu2–xFexSi₂ for Fe concentrations x ≤ 0.7 to establish that chemical substitution of Ru with Fe acts as “chemical pressure” Pch as previously proposed by Kanchanavatee et al. [Phys. Rev. B 84, 245122 (2011)] based on bulk measurements on polycrystalline samples. Neutron diffraction reveals a sharp increase of the uranium magnetic moment at x = 0.1, reminiscent of the behavior at the “hidden order” to large moment antiferromagnetic (LMAFM) phase transition observed at a pressure Px ≈ 0.5-0.7 GPa in URu₂Si₂. Using the unit cell volume determinedmore » from our measurements and an isothermal compressibility κT = 5.2×10⁻³ GPa⁻¹ for URu₂Si₂, we determine the chemical pressure Pch in URu2−xFexSi₂ as a function of x. The resulting temperature T-chemical pressure Pch phase diagram for URu2−xFexSi₂ is in agreement with the established temperature T-external pressure P phase diagram of URu₂Si₂.« less

  20. Chemical pressure tuning of URu?Si? via isoelectronic substitution of Ru with Fe

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

    Das, Pinaki; Kanchanavatee, N.; Helton, J. S.; Huang, K.; Baumbach, R. E.; Bauer, E. D.; White, B. D.; Burnett, V. W.; Maple, M. B.; Lynn, J. W.; et al

    2015-02-01

    We have used specific heat and neutron diffraction measurements on single crystals of URu2xFexSi? for Fe concentrations x ? 0.7 to establish that chemical substitution of Ru with Fe acts as chemical pressure Pch as previously proposed by Kanchanavatee et al. [Phys. Rev. B 84, 245122 (2011)] based on bulk measurements on polycrystalline samples. Notably, neutron diffraction reveals a sharp increase of the uranium magnetic moment at x = 0.1, reminiscent of the behavior at the hidden order to large moment antiferromagnetic (LMAFM) phase transition observed at a pressure Px ? 0.5-0.7 GPa in URu?Si?. Using the unit cell volumemoredetermined from our measurements and an isothermal compressibility ?T = 5.210? GPa? for URu?Si?, we determine the chemical pressure Pch in URu2?xFexSi? as a function of x. The resulting temperature T-chemical pressure Pch phase diagram for URu2?xFexSi? is in agreement with the established temperature T-external pressure P phase diagram of URu?Si?.less

  1. High temperature-induced phase transitions in Sr{sub 2}GdRuO{sub 6} complex perovskite

    SciTech Connect (OSTI)

    Triana, C.A.; Corredor, L.T.; Landinez Tellez, D.A.; Roa-Rojas, J.

    2011-12-15

    Highlights: Black-Right-Pointing-Pointer Crystal structure, thermal expansion and phase transitions at high-temperature of Sr{sub 2}GdRuO{sub 6} perovskite has been investigated. Black-Right-Pointing-Pointer X-ray diffraction pattern at 298 K of Sr{sub 2}GdRuO{sub 6} corresponds to monoclinic perovskite-type structure with P2{sub 1}/n space group. Black-Right-Pointing-Pointer Evolution of X-ray diffraction patterns at high-temperature shows that the Sr{sub 2}GdRuO{sub 6} perovskite suffers two-phase transitions. Black-Right-Pointing-Pointer At 573 K the X-ray diffraction pattern of Sr{sub 2}GdRuO{sub 6} corresponds to monoclinic perovskite-type structure with I2/m space group. Black-Right-Pointing-Pointer At 1273 K the Sr{sub 2}GdRuO{sub 6} perovskite suffers a complete phase-transition from monoclinic I2/m (no. 12) to tetragonal I4/m (no. 87). -- Abstract: The crystal structure behavior of the Sr{sub 2}GdRuO{sub 6} complex perovskite at high-temperature has been investigated over a wide temperature range between 298 K {<=} T {<=} 1273 K. Measurements of X-ray diffraction at room-temperature and Rietveld analysis of the experimental patterns show that this compound crystallizes in a monoclinic perovskite-like structure, which belongs to the P2{sub 1}/n (no. 14) space group and 1:1 ordered arrangement of Ru{sup 5+} and Gd{sup 3+} cations over the six-coordinate M sites. Experimental lattice parameters were obtained to be a =5.8103(5) Angstrom-Sign , b =5.8234(1) Angstrom-Sign , c =8.2193(9) Angstrom-Sign , V = 278.11(2) Angstrom-Sign {sup 3} and angle {beta} = 90.310(5) Degree-Sign . The high-temperature analysis shows the occurrence of two-phase transitions on this material. First, at 573 K it adopts a monoclinic perovskite-type structure with I2/m (no. 12) space group with lattice parameters a = 5.8275(6) Angstrom-Sign , b = 5.8326(3) Angstrom-Sign , c = 8.2449(2) Angstrom-Sign , V = 280.31(3) Angstrom-Sign {sup 3} and angle {beta} = 90.251(3) Degree-Sign . Close to 1273 K it undergoes a complete phase-transition from monoclinic I2/m (no. 12) to tetragonal I4/m (no. 87), with lattice parameters a = 5.8726(1) Angstrom-Sign , c = 8.3051(4) Angstrom-Sign , V = 286.39(8) Angstrom-Sign {sup 3} and angle {beta} = 90.0 Degree-Sign . The high-temperature phase transition from monoclinic I2/m (no. 12) to tetragonal I4/m (no. 87) is characterized by strongly anisotropic displacements of the anions.

  2. Tailoring the composition of ultrathin, ternary alloy PtRuFe nanowires for the methanol oxidation reaction and formic acid oxidation reaction

    SciTech Connect (OSTI)

    Scofield, Megan E.; Koenigsmann, Christopher; Wang, Lei; Lui, Haiqing; Wong, Stanislaus S.

    2014-11-25

    In the search for alternatives to conventional Pt electrocatalysts, we have synthesized ultrathin, ternary PtRuFe nanowires (NW), possessing different chemical compositions in order to probe their CO tolerance as well as electrochemical activity as a function of composition for both (i) the methanol oxidation reaction (MOR) and (ii) the formic acid oxidation reaction (FAOR). As-prepared multifunctional ternary NW catalysts exhibited both higher MOR and FAOR activity as compared with binary Pt?Ru? NW, monometallic Pt NW, and commercial catalyst control samples. In terms of synthetic novelty, we utilized a sustainably mild, ambient wet-synthesis method never previously applied to the fabrication of crystalline, pure ternary systems in order to fabricate ultrathin, homogeneous alloy PtRuFe NWs with a range of controlled compositions. These NWs were subsequently characterized using a suite of techniques including XRD, TEM, SAED, and EDAX in order to verify not only the incorporation of Ru and Fe into the Pt lattice but also their chemical homogeneity, morphology, as well as physical structure and integrity. Lastly, these NWs were electrochemically tested in order to deduce the appropriateness of conventional explanations such as (i) the bi-functional mechanism as well as (ii) the ligand effect to account for our MOR and FAOR reaction data. Specifically, methanol oxidation appears to be predominantly influenced by the Ru content, whereas formic acid oxidation is primarily impacted by the corresponding Fe content within the ternary metal alloy catalyst itself.

  3. Tailoring the composition of ultrathin, ternary alloy PtRuFe nanowires for the methanol oxidation reaction and formic acid oxidation reaction

    SciTech Connect (OSTI)

    Scofield, Megan E.; Koenigsmann, Christopher; Wang, Lei; Liu, Haiqing; Wong, Stanislaus S.

    2014-11-25

    In the search for alternatives to conventional Pt electrocatalysts, we have synthesized ultrathin, ternary PtRuFe nanowires (NW), possessing different chemical compositions in order to probe their CO tolerance as well as electrochemical activity as a function of composition for both (i) the methanol oxidation reaction (MOR) and (ii) the formic acid oxidation reaction (FAOR). As-prepared multifunctional ternary NW catalysts exhibited both higher MOR and FAOR activity as compared with binary Pt?Ru? NW, monometallic Pt NW, and commercial catalyst control samples. In terms of synthetic novelty, we utilized a sustainably mild, ambient wet-synthesis method never previously applied to the fabrication of crystalline, pure ternary systems in order to fabricate ultrathin, homogeneous alloy PtRuFe NWs with a range of controlled compositions. Thus, these NWs were subsequently characterized using a suite of techniques including XRD, TEM, SAED, and EDAX in order to verify not only the incorporation of Ru and Fe into the Pt lattice but also their chemical homogeneity, morphology, as well as physical structure and integrity. Lastly, these NWs were electrochemically tested in order to deduce the appropriateness of conventional explanations such as (i) the bi-functional mechanism as well as (ii) the ligand effect to account for our MOR and FAOR reaction data. Specifically, methanol oxidation appears to be predominantly influenced by the Ru content, whereas formic acid oxidation is primarily impacted by the corresponding Fe content within the ternary metal alloy catalyst itself.

  4. Intramolecular proton transfer boosts water oxidation catalyzed by a Ru complex

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

    Matheu, Roc; Ertem, Mehmed Z.; Benet-Buchholz, J.; Coronado, Eugenio; Batista, Victor S.; Sala, Xavier; Llobet, Antoni

    2015-07-30

    We introduce a new family of complexes with the general formula [Run(tda)(py)2]m+ (n = 2, m = 0, 1; n = 3, m = 1, 2+; n = 4, m = 2, 32+), with tda2– being [2,2':6',2"-terpyridine]-6,6"-dicarboxylate, including complex [RuIV(OH)(tda-κ-N3O)(py)2]+, 4H+, which we find to be an impressive water oxidation catalyst, formed by hydroxo coordination to 32+ under basic conditions. The complexes are synthesized, isolated, and thoroughly characterized by analytical, spectroscopic (UV–vis, nuclear magnetic resonance, electron paramagnetic resonance), computational, and electrochemical techniques (cyclic voltammetry, differential pulse voltammetry, coulometry), including solid-state monocrystal X-ray diffraction analysis. In oxidation state IV, the Rumore » center is seven-coordinated and diamagnetic, whereas in oxidation state II, the complex has an unbonded dangling carboxylate and is six-coordinated while still diamagnetic. With oxidation state III, the coordination number is halfway between the coordination of oxidation states II and IV. Species generated in situ have also been characterized by spectroscopic, computational, and electrochemical techniques, together with the related species derived from a different degree of protonation and oxidation states. 4H+ can be generated potentiometrically, or voltammetrically, from 32+, and both coexist in solution. While complex 32+ is not catalytically active, the catalytic performance of complex 4H+ is characterized by the foot of the wave analysis, giving an impressive turnover frequency record of 8000 s–1 at pH 7.0 and 50,000 s–1 at pH 10.0. Density functional theory calculations provide a complete description of the water oxidation catalytic cycle of 4H+, manifesting the key functional role of the dangling carboxylate in lowering the activation free energies that lead to O–O bond formation.« less

  5. Isotopic tracer studies of Fischer-Tropsch Synthesis over Ru/TiO sub 2 catalysts

    SciTech Connect (OSTI)

    Krishna, K.R.

    1992-01-01

    Fischer-Tropsch synthesis is a process in which CO and H{sub 2} react to give predominantly liquid hydrocarbons. The reaction can be considered a special type of polymerization in which the monomer is produced in situ, and chain growth occurs by a sequence of independently repeated additions of the monomer to the growing chain. A investigation has been conducted to study the CO hydrogenation reaction in order to better understand catalyst deactivation and the elementary surface processes involved in chain growth. Isotopic tracers are used in conjunction with transient-response techniques in this study of Fischer-Tropsch synthesis over Ru/TiO{sub 2} catalysts. Experiments are conducted at a total pressure of 1 atmosphere, reaction temperatures of 453--498 K and D{sub 2}/CO (or H{sub 2}/CO) ratios of 2--5. Synthesis products are analyzed by gas chromatography or isotope-ratio gas chromatography-mass spectrometry. Rate constants for chain initiation, propagation and termination are evaluated under steady-state reaction conditions by using transients in isotopic composition. The activation energy for chain termination is much higher than that for propagation, accounting for the observed decrease in the chain growth parameter are also estimated. Coverages by reaction intermediates are also estimated. When small amounts of {sup 12}C-labelled ethylene are added to {sup 13}CO/H{sub 2} synthesis gas, ethylene acts as the sole chain initiator. Ethylene-derived carbon also accounts for 45% of the C{sub 1} monomer pool. 102 refs., 29 figs., 11 tabs.

  6. Isotopic tracer studies of Fischer-Tropsch Synthesis over Ru/TiO{sub 2} catalysts

    SciTech Connect (OSTI)

    Krishna, K.R.

    1992-01-01

    Fischer-Tropsch synthesis is a process in which CO and H{sub 2} react to give predominantly liquid hydrocarbons. The reaction can be considered a special type of polymerization in which the monomer is produced in situ, and chain growth occurs by a sequence of independently repeated additions of the monomer to the growing chain. A investigation has been conducted to study the CO hydrogenation reaction in order to better understand catalyst deactivation and the elementary surface processes involved in chain growth. Isotopic tracers are used in conjunction with transient-response techniques in this study of Fischer-Tropsch synthesis over Ru/TiO{sub 2} catalysts. Experiments are conducted at a total pressure of 1 atmosphere, reaction temperatures of 453--498 K and D{sub 2}/CO (or H{sub 2}/CO) ratios of 2--5. Synthesis products are analyzed by gas chromatography or isotope-ratio gas chromatography-mass spectrometry. Rate constants for chain initiation, propagation and termination are evaluated under steady-state reaction conditions by using transients in isotopic composition. The activation energy for chain termination is much higher than that for propagation, accounting for the observed decrease in the chain growth parameter are also estimated. Coverages by reaction intermediates are also estimated. When small amounts of {sup 12}C-labelled ethylene are added to {sup 13}CO/H{sub 2} synthesis gas, ethylene acts as the sole chain initiator. Ethylene-derived carbon also accounts for 45% of the C{sub 1} monomer pool. 102 refs., 29 figs., 11 tabs.

  7. Comparison of Two Preparation Methods on Catalytic Activity and Selectivity of Ru-Mo/HZSM5 for Methane Dehydroaromatization

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

    Petkovic, Lucia M.; Ginosar, Daniel M.

    2014-01-01

    Catalytic performance of Mo/HZSM5 and Ru-Mo/HZSM5 catalysts prepared by vaporization-deposition of molybdenum trioxide and impregnation with ammonium heptamolybdate was analyzed in terms of catalyst activity and selectivity, nitrogen physisorption analyses, temperature-programmed oxidation of carbonaceous residues, and temperature-programmed reduction. Vaporization-deposition rendered the catalyst more selective to ethylene and coke than the catalyst prepared by impregnation. This result was assigned to lower interaction of molybdenum carbide with the zeolite acidic sites.

  8. XMM-NEWTON OBSERVATIONS OF THE DWARF NOVA RU Peg IN QUIESCENCE: PROBE OF THE BOUNDARY LAYER

    SciTech Connect (OSTI)

    Balman, Soelen; Godon, Patrick; Sion, Edward M.; Ness, Jan-Uwe; Schlegel, Eric; Barrett, Paul E.; Szkody, Paula E-mail: patrick.godon@villanova.edu E-mail: juness@sciops.esa.int E-mail: barrett.paul@usno.navy.mil

    2011-11-10

    We present an analysis of X-ray and UV data obtained with the XMM-Newton Observatory of the long-period dwarf nova RU Peg. RU Peg contains a massive white dwarf (WD), possibly the hottest WD in a dwarf nova (DN), it has a low inclination, thus optimally exposing its X-ray emitting boundary layer (BL), and has an excellent trigonometric parallax distance. We modeled the X-ray data using XSPEC assuming a multi-temperature plasma emission model built from the MEKAL code (i.e., CEVMKL). We obtained a maximum temperature of 31.7 keV, based on the European Photon Imaging Camera MOS1, 2 and pn data, indicating that RU Peg has an X-ray spectrum harder than most DNe, except U Gem. This result is consistent with and indirectly confirms the large mass of the WD in RU Peg. The X-ray luminosity we computed corresponds to a BL luminosity for a mass accretion rate of 2 Multiplication-Sign 10{sup -11} M{sub sun} yr{sup -1} (assuming M{sub wd} = 1.3 M{sub sun}), in agreement with the expected quiescent accretion rate. The modeling of the O VIII emission line at 19 A as observed by the Reflection Grating Spectrometer implies a projected stellar rotational velocity v{sub rot}sin i = 695 km s{sup -1}, i.e., the line is emitted from material rotating at {approx}936-1245 km s{sup -1} (i {approx} 34 Degree-Sign -48 Degree-Sign) or about 1/6 of the Keplerian speed; this velocity is much larger than the rotation speed of the WD inferred from the Far Ultraviolet Spectroscopic Explorer spectrum. Cross-correletion analysis yielded an undelayed (time lag {approx} 0) component and a delayed component of 116 {+-} 17 s where the X-ray variations/fluctuations lagged the UV variations. This indicates that the UV fluctuations in the inner disk are propagated into the X-ray emitting region in about 116 s. The undelayed component may be related to irradiation effects.

  9. Project RU LlSON COPY ON-SITE RADIOLOGICAL PROGRAMS DURING REENTRY DISILLING THROUGH PRODUCTION TESTING

    Office of Legacy Management (LM)

    RU LlSON COPY ON-SITE RADIOLOGICAL PROGRAMS DURING REENTRY DISILLING THROUGH PRODUCTION TESTING FINAL REPOAT EBERLlNE INSTRUMENT CORPORATION Santa Fe, New Mexico Date Published - December 1973 PREPARED FOR THE U. S. ATOMIC ENERGY COMMISSION N E V A D A OPERATIONS OFFICE UNDER CONTRACT NO. AT(26-11-294 DISCLAIMER Portions of this document may be illegible in electronic image products. Images are produced from the best available original document. Project RULISON ON-S1l'E RADIOLOGICAL PROGRAMS D U

  10. Suhr 7900.955 L*E+ru Pkzza. S. Iv.. Washington, D.C. 20024-i

    Office of Legacy Management (LM)

    Suhr 7900.955 L*E+ru Pkzza. S. Iv.. Washington, D.C. 20024-i 7117~03.8J.cdy.4 23 September 19E M r. Andrew Wallo, III, NE-23 Division of Facility & Site Decommissioning Projects U.S. Department of Energy Germantown, Maryland 20545 Dear M r. Wallo: ELIMINATION RECOMMENDATION -- COLLEGES AND UN11 The attached elimination recommendation was prepar with your suggestion during our meeting on 22 September includes 26 colleges and universities identified.in Enc Aerospace letter subject: Status of

  11. Exotic magnetism on the quasi-FCC lattices of the d3 double perovskites La2NaB'O6 (B' = Ru, Os)

    SciTech Connect (OSTI)

    Aczel, Adam A; Baker, Peter J.; Bugaris, Dan; Yeon, Jeongho; Zur Loye, Hans-Conrad; Guidi, T.; Adroja, D. T.

    2014-01-01

    We find evidence for long-range and short-range ($\\zeta$~$=$~70~\\AA~at 4~K) incommensurate magnetic order on the quasi-face-centered-cubic (FCC) lattices of the monoclinic double perovskites La$_2$NaRuO$_6$ and La$_2$NaOsO$_6$ respectively. Incommensurate magnetic order on the FCC lattice has not been predicted by mean field theory, but may arise via a delicate balance of inequivalent nearest neighbour and next nearest neighbour exchange interactions. In the Ru system with long-range order, inelastic neutron scattering also reveals a spin gap $\\Delta$~$\\sim$~2.75~meV. Magnetic anisotropy is generally minimized in the more familiar octahedrally-coordinated $3d^3$ systems, so the large gap observed for La$_2$NaRuO$_6$ may result from the significantly enhanced value of spin-orbit coupling in this $4d^3$ material.

  12. Epitaxial YBa{sub 2}Cu{sub 3}O{sub 7{minus}{delta}}/Sr{sub 2}RuO{sub 4} heterostructures

    SciTech Connect (OSTI)

    Schlom, D.G.; Merritt, B.A.; Madhavan, S. [Pennsylvania State Univ., University Park, PA (United States). Dept. of Materials Science and Engineering] [and others

    1997-09-01

    The anisotropic oxide superconductors YBa{sub 2}Cu{sub 3}O{sub 7{minus}{delta}} and Sr{sub 2}RuO{sub 4} have been epitaxially combined in various ways (c-axis on c-axis, c-axis on a-axis, and a-axis on a-axis) though the use of appropriate substrates. Phase-pure a-axis oriented or c-axis oriented epitaxial Sr{sub 2}RuO{sub 4} films were grown by pulsed laser deposition. YBa{sub 2}Cu{sub 3}O{sub 7{minus}{delta}} films were then grown on both orientations of Sr{sub 2}RuO{sub 4} films and the resulting epitaxy was characterized.

  13. Inverse magnetocaloric effect in Ce(Fe{sub 0.96}Ru{sub 0.04}){sub 2}: Effect of fast neutron irradiation

    SciTech Connect (OSTI)

    Dube, V.; Mishra, P. K.; Prajapat, C. L.; Singh, M. R.; Ravikumar, G.; Rajarajan, A. K.; Sastry, P. U.; Thakare, S. V.

    2013-02-05

    We have shown the effect of fast neutron irradiation on the magnetic phase transition and magnetocaloric effect (MCE) in a doped Ce(Fe{sub 0.96}Ru{sub 0.04}){sub 2}, intermettalic. We show that this leads to suppression of MCE and a to a disordered ferromagnetic phase.

  14. Tailoring the composition of ultrathin, ternary alloy PtRuFe nanowires for the methanol oxidation reaction and formic acid oxidation reaction

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

    Scofield, Megan E.; Koenigsmann, Christopher; Wang, Lei; Liu, Haiqing; Wong, Stanislaus S.

    2014-11-25

    In the search for alternatives to conventional Pt electrocatalysts, we have synthesized ultrathin, ternary PtRuFe nanowires (NW), possessing different chemical compositions in order to probe their CO tolerance as well as electrochemical activity as a function of composition for both (i) the methanol oxidation reaction (MOR) and (ii) the formic acid oxidation reaction (FAOR). As-prepared ‘multifunctional’ ternary NW catalysts exhibited both higher MOR and FAOR activity as compared with binary Pt₇Ru₃ NW, monometallic Pt NW, and commercial catalyst control samples. In terms of synthetic novelty, we utilized a sustainably mild, ambient wet-synthesis method never previously applied to the fabrication ofmore » crystalline, pure ternary systems in order to fabricate ultrathin, homogeneous alloy PtRuFe NWs with a range of controlled compositions. Thus, these NWs were subsequently characterized using a suite of techniques including XRD, TEM, SAED, and EDAX in order to verify not only the incorporation of Ru and Fe into the Pt lattice but also their chemical homogeneity, morphology, as well as physical structure and integrity. Lastly, these NWs were electrochemically tested in order to deduce the appropriateness of conventional explanations such as (i) the bi-functional mechanism as well as (ii) the ligand effect to account for our MOR and FAOR reaction data. Specifically, methanol oxidation appears to be predominantly influenced by the Ru content, whereas formic acid oxidation is primarily impacted by the corresponding Fe content within the ternary metal alloy catalyst itself.« less

  15. Low-temperature growth and orientational control in RuO{sub 2} thin films by metal-organic chemical vapor deposition

    SciTech Connect (OSTI)

    Bai, G.R.; Wang, A.; Foster, C.M.; Vetrone, J.; Patel, J.; Wu, X.

    1996-08-01

    For growth temperatures in the range of 275 C to 425 C, highly conductive RuO{sub 2} thin films with either (110)- or (101)-textured orientations have been grown by metal-organic chemical vapor deposition (MOCVD) on both SiO{sub 2}/Si(001) and Pt/Ti/SiO{sub 2}/Si(001) substrates. Both the growth temperature and growth rate were used to control the type and degree of orientational texture of the RuO{sub 2} films. In the upper part of this growth temperature range ({approximately} 350 C) and at a low growth rate (< 30 {angstrom}/min.), the RuO{sub 2} films favored a (110)-textured. In contrast, at the lower part of this growth temperature range ({approximately} 300 C) and at a high growth rate (> 30 {angstrom}/min.), the RuO{sub 2} films favored a (101)-textured. In contrast, a higher growth temperatures (> 425 C) always produced randomly-oriented polycrystalline films. For either of these low-temperature growth processes, the films produced were crack-free, well-adhered to the substrates, and had smooth, specular surfaces. Atomic force microscopy showed that the films had a dense microstructure with an average grain size of 50--80 nm and a rms. surface roughness of {approximately} 3--10 nm. Four-probe electrical transport measurements showed that the films were highly conductive with resistivities of 34--40 {micro}{Omega}-cm ({at} 25 C).

  16. Thickness-dependent metal-insulator transition in epitaxial SrRuO3 ultrathin films

    SciTech Connect (OSTI)

    Shen, Xuan; Qiu, Xiangbiao; Su, Dong; Zhou, Shengqiang; Li, Aidong; Wu, Di

    2015-01-06

    Transport characteristics of ultrathin SrRuO? films, deposited epitaxially on TiO?-terminated SrTiO? (001) single-crystal substrates, were studied as a function of film thickness. Evolution from a metallic to an insulating behavior is observed as the film thickness decreases from 20 to 4 unit cells. In films thicker than 4 unit cells, the transport behavior obeys the Drude low temperature conductivity with quantum corrections, which can be attributed to weak localization. Fitting the data with 2-dimensional localization model indicates that electron-phonon collisions are the main inelastic relaxation mechanism. In the film of 4 unit cells in thickness, the transport behavior follows variable range hopping model, indicating a strongly localized state. As a result, magnetoresistance measurements reveal a likely magnetic anisotropy with the magnetic easy axis along the out-of-plane direction.

  17. Tuning the magnetic and structural phase transitions of PrFeAsO via Fe/Ru spin dilution

    SciTech Connect (OSTI)

    Yiu, Yuen; Bonfa, Pietro; Sanna, Samuele; De Renzi, Roberto; Caretta, Pietro; McGuire, Michael A; Huq, Ashfia; Nagler, Stephen E

    2014-01-01

    Neutron diffraction and muon spin relaxation measurements are used to obtain a detailed phase diagram of PrFe1{xRuxAsO. The isoelectronic substitution of Ru for Fe acts eectively as spin dilution, suppressing both the structural and magnetic phase transitions. The temperature, TS, of the tetragonal-orthorhombic structural phase transition decreases gradually as a function of x. Slightly below TS coherent precessions of the muon spin are observed corresponding to static magnetism, possibly re ecting a signicant magneto-elastic coupling in the FeAs layers. Short range order in both the Fe and Pr moments persists for higher levels of x. The static magnetic moments disappear at a concentration coincident with that expected for percolation of the J1 - J2 square lattice model.

  18. Transverse thermoelectric effect in La{sub 0.67}Sr{sub 0.33}MnO{sub 3}|SrRuO{sub 3} superlattices

    SciTech Connect (OSTI)

    Shiomi, Y.; Handa, Y.; Kikkawa, T.; Saitoh, E.

    2015-06-08

    Transverse thermoelectric effects in response to an out-of-plane heat current have been studied in an external magnetic field for ferromagnetic superlattices consisting of La{sub 0.67}Sr{sub 0.33}MnO{sub 3} and SrRuO{sub 3} layers. The superlattices were fabricated on SrTiO{sub 3} substrates by pulsed laser deposition. We found that the sign of the transverse thermoelectric voltage for the superlattices is opposite to that for La{sub 0.67}Sr{sub 0.33}MnO{sub 3} and SrRuO{sub 3} single layers at 200?K, implying an important role of spin Seebeck effects inside the superlattices. At 10?K, the magnetothermoelectric curves shift from the zero field due to an antiferromagnetic coupling between layers in the superlattices.

  19. Tuning the metal-insulator crossover and magnetism in SrRuO3 by ionic gating

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

    Yi, Hee Taek; Gao, Bin; Xie, Wei; Cheong, Sang -Wook; Podzorov, Vitaly

    2014-10-13

    Reversible control of charge transport and magnetic properties without degradation is a key for device applications of transition metal oxides. Chemical doping during the growth of transition metal oxides can result in large changes in physical properties, but in most of the cases irreversibility is an inevitable constraint. We report a reversible control of charge transport, metal-insulator crossover and magnetism in field-effect devices based on ionically gated archetypal oxide system - SrRuO3. In these thin-film devices, the metal-insulator crossover temperature and the onset of magnetoresistance can be continuously and reversibly tuned in the range 90–250 K and 70–100 K, respectively,more » by application of a small gate voltage. We infer that a reversible diffusion of oxygen ions in the oxide lattice dominates the response of these materials to the gate electric field. These findings provide critical insights into both the understanding of ionically gated oxides and the development of novel applications.« less

  20. Deprotonated Water Dimers: The Building Blocks of Segmented Water Chains on Rutile RuO2(110)

    SciTech Connect (OSTI)

    Mu, Rentao; Cantu Cantu, David; Glezakou, Vassiliki Alexandra; Lyubinetsky, Igor; Rousseau, Roger J.; Dohnalek, Zdenek

    2015-10-15

    Despite the importance of RuO2 in photocatalytic water splitting and catalysis in general, the interactions of water with even its most stable (110) surface are not well-understood. In this study we employ a combination of high-resolution scanning tunneling microscopy imaging with density functional theory based ab initio molecular dynamics, and we follow the formation and binding of linear water clusters on coordinatively unsaturated ruthenium rows. We find that clusters of all sizes (dimers, trimers, tetramers, extended chains) are stabilized by donating one proton per every two water molecules to the surface bridge bonded oxygen sites, in contrast with water monomers that do not show a significant propensity for dissociation. The clusters with odd number of water molecules are less stable than the clusters with even number, and are generally not observed under thermal equilibrium. For all clusters with even numbers, the dissociated dimers represent the fundamental building blocks with strong intra-dimer hydrogen bonds and only very weak inter-dimer interactions resulting in segmented water chains.

  1. GIHPH5Q RSUT0VWSUX`Y!SUacbedDfgbihehep

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

    huS ru V iwy vifYv Y SUa weit hiw SsaWS VBa VS i &22; &23; eSsa Wv0j&20; &22; &23; hiwe TiTS a ii Sif...

  2. Ultra-high-performance coreshell structured Ru@Pt/C catalyst prepared by a facile pulse electrochemical deposition method

    SciTech Connect (OSTI)

    Chen, Dan; Li, Yuexia; Liao, Shijun; Su, Dong; Song, Huiyu; Li, Yingwei; Yang, Lijun; Li, Can

    2015-08-03

    Coreshell structured catalysts, made by placing either a monolayer or a thin layer of a noble metal on relatively cheap core-metal nanoparticles, are fascinating and promising fuel cell catalysts due to their high utilization of noble metals. Here, we report our development of a coreshell structured catalyst, Ru@Pt/C, generated by a novel and facile pulse electrochemical deposition (PED) approach. We demonstrate that compared with a commercial Pt/C catalyst, this novel catalyst achieves over four times higher mass activity towards the anodic oxidation of methanol, and 3.6 times higher mass activity towards the cathodic reduction of oxygen. Importantly, we find that the intrinsic activity of Pt in this Ru@Pt/C catalyst is doubled due to the formation of the coreshell structure. The catalyst also shows superior stability: even after 2000 scans, it still retains up to 90% of the peak current. As a result, our findings demonstrate that this novel PED approach is a promising method for preparing high-performance coreshell catalysts for fuel cell applications.

  3. Ultra-high-performance core–shell structured Ru@Pt/C catalyst prepared by a facile pulse electrochemical deposition method

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

    Chen, Dan; Li, Yuexia; Liao, Shijun; Su, Dong; Song, Huiyu; Li, Yingwei; Yang, Lijun; Li, Can

    2015-08-03

    Core–shell structured catalysts, made by placing either a monolayer or a thin layer of a noble metal on relatively cheap core-metal nanoparticles, are fascinating and promising fuel cell catalysts due to their high utilization of noble metals. Here, we report our development of a core–shell structured catalyst, Ru@Pt/C, generated by a novel and facile pulse electrochemical deposition (PED) approach. We demonstrate that compared with a commercial Pt/C catalyst, this novel catalyst achieves over four times higher mass activity towards the anodic oxidation of methanol, and 3.6 times higher mass activity towards the cathodic reduction of oxygen. Importantly, we find thatmore » the intrinsic activity of Pt in this Ru@Pt/C catalyst is doubled due to the formation of the core–shell structure. The catalyst also shows superior stability: even after 2000 scans, it still retains up to 90% of the peak current. As a result, our findings demonstrate that this novel PED approach is a promising method for preparing high-performance core–shell catalysts for fuel cell applications.« less

  4. Structural characterisation of BaTiO{sub 3} thin films deposited on SrRuO{sub 3}/YSZ buffered silicon substrates and silicon microcantilevers

    SciTech Connect (OSTI)

    Colder, H.; Jorel, C. Mchin, L.; Domengs, B.; Marie, P.; Boisserie, M.; Guillon, S.; Nicu, L.; Galdi, A.

    2014-02-07

    We report on the progress towards an all epitaxial oxide layer technology on silicon substrates for epitaxial piezoelectric microelectromechanical systems. (101)-oriented epitaxial tetragonal BaTiO{sub 3} (BTO) thin films were deposited at two different oxygen pressures, 5.10{sup ?2} mbar and 5.10{sup ?3} mbar, on SrRuO{sub 3}/Yttria-stabilized zirconia (YSZ) buffered silicon substrates by pulsed laser deposition. The YSZ layer full (001) orientation allowed the further growth of a fully (110)-oriented conductive SrRuO{sub 3} electrode as shown by X-ray diffraction. The tetragonal structure of the BTO films, which is a prerequisite for the piezoelectric effect, was identified by Raman spectroscopy. In the BTO film deposited at 5.10{sup ?2} mbar strain was mostly localized inside the BTO grains whereas at 5.10{sup ?3} mbar, it was localized at the grain boundaries. The BTO/SRO/YSZ layers were finally deposited on Si microcantilevers at an O{sub 2} pressure of 5.10{sup ?3} mbar. The strain level was low enough to evaluate the BTO Young modulus. Transmission electron microscopy (TEM) was used to investigate the epitaxial quality of the layers and their epitaxial relationship on plain silicon wafers as well as on released microcantilevers, thanks to Focused-Ion-Beam TEM lamella preparation.

  5. Local magnetism in the molecule-based metamagnet [Ru2(O2CMe)4]3[Cr(CN)6] probed with implanted muons

    SciTech Connect (OSTI)

    Lancaster, T.; Pratt, F. L.; Blundell, S. J.; Steele, Andrew J.; Baker, Peter J.; Wright, Jack D.; Fishman, Randy Scott; Miller, Joel S.

    2011-01-01

    We present a muon-spin relaxation study of local magnetism in the molecule-based metamagnet [Ru2(O2CMe)4]3[Cr(CN)6]. We observe magnetic order with TN = 33 K, although above 25 K the sublattice spins become less rigid and a degree of static magnetic disorder is observed. The comparison of measurements in applied magnetic field with simulations allows us to understand the origin of the muon response across the metamagnetic transition and to map out the phase diagram of the material. Applied hydrostatic pressures of up to 6 kbar lead to an increase in the local magnetic field along with a complex change in the internal magnetic field distribution.

  6. Dopant-Induced Nanoscale Electronic Inhomogeneities in Ca2-xSrxRuO4

    SciTech Connect (OSTI)

    Zhang, Jiandi; Ismail, #; Moore, R. G.; Wang, S. -C.; Ding, H.; Jin, Rongying; Mandrus, David; Plummer, E Ward

    2006-01-01

    Ca{sub 2-x}Sr{sub x}RuO{sub 4} single crystals with 0.1 {le} x {le} 2.0 have been studied systematically using scanning tunneling microscopy (STM) and spectroscopy, low-energy electron diffraction, and angle resolved photoelectron spectroscopy (ARPES). In contrast with the well-ordered lattice structure, the local density of states at the surface clearly shows a strong doping dependent nanoscale electronic inhomogeneity, regardless of the fact of isovalent substitution. Remarkably, the surface electronic roughness measured by STM and the inverse spectral weight of quasiparticle states determined by ARPES are found to vary with x in the same manner as the bulk in-plane residual resistivity, following the Nordheim rule. For the first time, the surface measurements - especially those with STM - are shown to be in good agreement with the bulk transport results, all clearly indicating a doping-induced electronic disorder in the system.

  7. Elucidating hydrogen oxidation/evolution kinetics in base and acid by enhanced activities at the optimized Pt shell thickness on the Ru core

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

    Elbert, Katherine; Hu, Jue; Ma, Zhong; Zhang, Yu; Chen, Guangyu; An, Wei; Liu, Ping; Isaacs, Hugh S.; Adzic, Radoslav R.; Wang, Jia X.

    2015-10-05

    Hydrogen oxidation and evolution on Pt in acid are facile processes, while in alkaline electrolytes, they are 2 orders of magnitude slower. Thus, developing catalysts that are more active than Pt for these two reactions is important for advancing the performance of anion exchange membrane fuel cells and water electrolyzers. Herein, we detail a 4-fold enhancement of Pt mass activity that we achieved using single-crystalline Ru@Pt core–shell nanoparticles with two-monolayer-thick Pt shells, which doubles the activity on Pt–Ru alloy nanocatalysts. For Pt specific activity, the two- and one-monolayer-thick Pt shells exhibited enhancement factors of 3.1 and 2.3, respectively, compared tomore » the Pt nanocatalysts in base, differing considerably from the values of 1 and 0.4, respectively, in acid. To explain such behavior and the orders of magnitude difference in activity on going from acid to base, we performed kinetic analyses of polarization curves over a wide range of potential from –250 to 250 mV using the dual-pathway kinetic equation. From acid to base, the activation free energies increase the most for the Volmer reaction, resulting in a switch of the rate-determining step from the Tafel to the Volmer reaction, and a shift to a weaker optimal hydrogen binding energy. Furthermore, the much higher activation barrier for the Volmer reaction in base than in acid is ascribed to one or both of the two catalyst-insensitive factors: slower transport of OH– than H+ in water and a stronger O–H bond in water molecules (HO–H) than in hydrated protons (H2O–H+).« less

  8. Elucidating hydrogen oxidation/evolution kinetics in base and acid by enhanced activities at the optimized Pt shell thickness on the Ru core

    SciTech Connect (OSTI)

    Elbert, Katherine; Hu, Jue; Ma, Zhong; Zhang, Yu; Chen, Guangyu; An, Wei; Liu, Ping; Isaacs, Hugh S.; Adzic, Radoslav R.; Wang, Jia X.

    2015-10-05

    Hydrogen oxidation and evolution on Pt in acid are facile processes, while in alkaline electrolytes, they are 2 orders of magnitude slower. Thus, developing catalysts that are more active than Pt for these two reactions is important for advancing the performance of anion exchange membrane fuel cells and water electrolyzers. Herein, we detail a 4-fold enhancement of Pt mass activity that we achieved using single-crystalline Ru@Pt core–shell nanoparticles with two-monolayer-thick Pt shells, which doubles the activity on Pt–Ru alloy nanocatalysts. For Pt specific activity, the two- and one-monolayer-thick Pt shells exhibited enhancement factors of 3.1 and 2.3, respectively, compared to the Pt nanocatalysts in base, differing considerably from the values of 1 and 0.4, respectively, in acid. To explain such behavior and the orders of magnitude difference in activity on going from acid to base, we performed kinetic analyses of polarization curves over a wide range of potential from –250 to 250 mV using the dual-pathway kinetic equation. From acid to base, the activation free energies increase the most for the Volmer reaction, resulting in a switch of the rate-determining step from the Tafel to the Volmer reaction, and a shift to a weaker optimal hydrogen binding energy. Furthermore, the much higher activation barrier for the Volmer reaction in base than in acid is ascribed to one or both of the two catalyst-insensitive factors: slower transport of OH than H+ in water and a stronger O–H bond in water molecules (HO–H) than in hydrated protons (H2O–H+).

  9. Cosmology on the Beach - Wayne Hu: Lecture 2

    ScienceCinema (OSTI)

    Wayne Hu

    2010-01-08

    The lecture was delivered as part of the "Cosmology at the Beach" winter school organized by Berkeley Lab's George Smoot in Los Cabos, Mexico from Jan. 12-16, 2009.

  10. Shaw-JA

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

    Colorado D. Cimini Department of Physics University of L'Aquila Coppito L'Aquila, Italy Introduction During June and July of 1999 we deployed a pair of scanning radiometers on ...

  11. Surface chemical reactivity of ultrathin Pd(111) films on Ru(0001): Importance of orbital symmetry in the application of the d-band model

    SciTech Connect (OSTI)

    Yin, Xiangshi; Cooper, Valentino R.; Weitering, Hanno H.; Snijders, Paul C.

    2015-09-22

    The chemical bonding of adsorbate molecules on transition-metal surfaces is strongly influenced by the hybridization between the molecular orbitals and the metal d-band. The strength of this interaction is often correlated with the location of the metal d-band center relative to the Fermi level. Here, we exploit finite size effects in the electronic structure of ultrathin Pd(111) films grown on Ru(0001) to tune their reactivity by changing the film thickness one atom layer at a time, while keeping all other variables unchanged. Interestingly, while bulk Pd(111) is reactive toward oxygen, Pd(111) films below five monolayers are surprisingly inert. This observation is fully in line with the d-band model prediction when applied to the orbitals involved in the bonding. The shift of the d-band center with film thickness is primarily attributed to shifts in the partial density of states associated with the 4dxz and 4dyz orbitals. This study provides an in-depth look into the orbital specific contributions to the surface chemical reactivity, providing new insights that could be useful in surface catalysis.

  12. Thermoelectric, electronic, optical and chemical bonding properties of Ba{sub 2}PrRuO{sub 6}: At temperature 7 K and 150 K

    SciTech Connect (OSTI)

    Reshak, A.H.; Khan, Wilayat

    2015-01-15

    Highlights: DFT-FPLAPW method used for calculating the electronic structure. The Fermi surface of BPRO (7 K and 150 K) is also calculated. The complex dielectric function has been calculated. Thermoelectric properties were also calculated using BoltzTraP code. Power factor shows that both compounds are good thermoelectric materials at 600 K. - Abstract: We present first principles calculations of the band structure, density of states, electronic charge density, Fermi surface and optical properties of Ba{sub 2}PrRuO{sub 6} single crystals at two different temperatures. The atomic positions were optimized by minimizing the forces acting on the atoms. We have employed the full potential linear augmented plane wave method within local density approximation, generalized gradient approximation and EngelVosko generalized gradient approximation to treat the exchange correlation potential. The calculation shows that the compound is superconductor with strong hybridization near the Fermi energy level. Fermi surface is composed of two sheets. The calculated electronic specific heat capacities indicate, very close agreement with the experimental one. The bonding features of the compounds are analyzed using the electronic charge density in the (1 0 0) and (010) crystallographic planes. The dispersion of the optical constants was calculated and discussed. The thermoelectric properties are also calculated using the BoltzTrap code.

  13. Surface chemical reactivity of ultrathin Pd(111) films on Ru(0001): Importance of orbital symmetry in the application of the d-band model

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

    Yin, Xiangshi; Cooper, Valentino R.; Weitering, Hanno H.; Snijders, Paul C.

    2015-09-22

    The chemical bonding of adsorbate molecules on transition-metal surfaces is strongly influenced by the hybridization between the molecular orbitals and the metal d-band. The strength of this interaction is often correlated with the location of the metal d-band center relative to the Fermi level. Here, we exploit finite size effects in the electronic structure of ultrathin Pd(111) films grown on Ru(0001) to tune their reactivity by changing the film thickness one atom layer at a time, while keeping all other variables unchanged. Interestingly, while bulk Pd(111) is reactive toward oxygen, Pd(111) films below five monolayers are surprisingly inert. This observationmore » is fully in line with the d-band model prediction when applied to the orbitals involved in the bonding. The shift of the d-band center with film thickness is primarily attributed to shifts in the partial density of states associated with the 4dxz and 4dyz orbitals. This study provides an in-depth look into the orbital specific contributions to the surface chemical reactivity, providing new insights that could be useful in surface catalysis.« less

  14. Crystal structure, magnetism and transport properties of Ce{sub 3}Ni{sub 25.75}Ru{sub 3.16}Al{sub 4.1}B{sub 10}

    SciTech Connect (OSTI)

    Janka, Oliver; Baumbach, Ryan E.; Thompson, Joe D.; Bauer, Eric D.; Kauzlarich, Susan M.

    2013-09-15

    Single crystals of Ce{sub 3}Ni{sub 25.75}Ru{sub 3.16}Al{sub 4.1}B{sub 10} were obtained from a process in which a polycrystalline sample of CeRu{sub 2}Al{sub 2}B was annealed in an excess of a NiIn flux. The initial phase, CeRu{sub 2}Al{sub 2}B, does not recrystallize, instead, crystals of a new phase, Ce{sub 3}Ni{sub 25.75}Ru{sub 3.16}Al{sub 4.1}B{sub 10}, could be isolated once the flux was removed. The title compound crystallizes in the tetragonal space group P4/nmm (No. 129) with a=1139.02(8), c=801.68(6) pm (c/a=0.70) in the Nd{sub 3}Ni{sub 29}Si{sub 4}B{sub 10} structure type. Electrical resistivity measurements reveal metallic behavior with a minimum of 700 ? cm and a small residual resistivity ratio of RRR=1.4 indicating a large amount of disorder scattering. The cerium atoms are either in the 4+ or an intermediate valence state with a valence fluctuation temperature far above room temperature. - Graphical abstract: Single crystals of Ce{sub 3}Ni{sub 25.75}Ru{sub 3.16}A{sub l4.1}B{sub 10} were obtained using a process in which a polycrystalline sample of CeRu{sub 2}Al{sub 2}B was annealed in an excess of a NiIn flux. Electrical resistivity measurements reveal metallic behavior with a minimum of 700 ?? cm and a small residual resistivity ratio of RRR=1.4 indicating a large amount of disorder scattering. The cerium atoms are either in the 4+ or an intermediate valence state with a valence fluctuation temperature far above room temperature. Display Omitted - Highlights: Flux synthesis of high quality single crystals of Ce{sub 3}Ni{sub 25.75}Ru{sub 3.16}Al{sub 4.1}B{sub 10} is presented along with the crystal structure, magnetic and transport properties. The compound is isostructural to Nd{sub 3}Ni{sub 29}Si{sub 4}B{sub 10} but is first of this structure type showing mixed occupancies of d-elements. This is an intermetallic phase with Ce in either the 4+ or an intermediate valence state. The fact that this structure with mixed occupied transition metal sites exists suggests that more compounds of this type should be accessible and the physical properties tuned.

  15. Mechanistic insight into peroxydisulfate reactivity: Oxidation of the cis,cis-[Ru(bpy)2(OH2)]2O4+ "Blue Dimmer"

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

    Hurst, James K.; Roemeling, Margo D.; Lymar, Sergei V.

    2015-04-10

    One-electron oxidation of the μ-oxo dimer (cis,cis-[RuIII(bpy)2(OH2)]2O4+, {3,3}) to {3,4} by S2O82- can be described by three concurrent reaction pathways corresponding to the three protic forms of {3,3}. Free energy correlations of the rate constants, transient species dynamics determined by pulse radiolysis, and medium and temperature dependencies of the alkaline pathway all suggest that the rate determining step in these reactions is a strongly non-adiabatic dissociative electron transfer within a precursor ion pair leading to the {3,4}|SO42-|SO4•- ion triple. As deduced from the SO4•- scavenging experiments with 2-propanol, the SO4•- radical then either oxidizes {3,4} to {4,4} within the ionmore » triple, effecting a net two-electron oxidation of {3,3}, or escapes in solution with ~25 % probability to react with additional {3,3} and {3,4}, that is, effecting sequential one-electron oxidations. The reaction model presented also invokes rapid {3,3} + {4,4} → 2{3,4} comproportionation, for which kcom ~5×107 M-1 s-1 was independently measured. The model provides an explanation for the observation that despite favorable energetics, no oxidation beyond the {3,4} state was detected. As a result, the indiscriminate nature of oxidation by SO4•- indicates that its fate must be quantitatively determined when using S2O82- as an oxidant« less

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

    SciTech Connect (OSTI)

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

    2012-01-01

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

  17. LOW-TEMPERATURE ION TRAP STUDIES OF N{sup +}({sup 3} P{sub ja} ) + H{sub 2}(j) {yields} NH{sup +} + H

    SciTech Connect (OSTI)

    Zymak, I.; Hejduk, M.; Mulin, D.; Plasil, R.; Glosik, J.; Gerlich, D.

    2013-05-01

    Using a low-temperature 22-pole ion trap apparatus, detailed measurements for the title reaction have been performed between 10 K and 100 K in order to get some state specific information about this fundamental hydrogen abstraction process. The relative population of the two lowest H{sub 2} rotational states, j = 0 and 1, has been varied systematically. NH{sup +} formation is nearly thermo-neutral; however, to date, the energetics are not known with the accuracy required for low-temperature astrochemistry. Additional complications arise from the fact that, so far, there is no reliable theoretical or experimental information on how the reactivity of the N{sup +} ion depends on its fine-structure (FS) state {sup 3} P{sub ja} . Since in the present trapping experiment, thermalization of the initially hot FS population competes with hydrogen abstraction, the evaluation of the decay of N{sup +} ions over long storage times and at various He and H{sub 2} gas densities provides information on these processes. First assuming strict adiabatic behavior, a set of state specific rate coefficients is derived from the measured thermal rate coefficients. In addition, by recording the disappearance of the N{sup +} ions over several orders of magnitude, information on nonadiabatic transitions is extracted including FS-changing collisions.

  18. Percolation theory and quantum critical systems: A new description of the critical behavior in Ce(Ru{sub 0.24}Fe{sub 0.76}){sub 2}Ge{sub 2}

    SciTech Connect (OSTI)

    Gaddy, John; Heitmann, Tom; Montfrooij, Wouter

    2014-05-07

    The onset of ordering in quantum critical systems is characterized by a competition between the Kondo shielding of magnetic moments and the ordering of these moments. We show how a distribution of Kondo shielding temperaturesresulting from chemical dopingleads to critical behavior whose main characteristics are given by percolation physics. With the aid of Monte Carlo computer simulations, we are able to infer the low temperature part of the distribution of shielding temperatures in heavily doped quantum critical Ce(Ru{sub 0.24}Fe{sub 0.76}){sub 2}Ge{sub 2}. Based on this distribution, we show that the ordering dynamicssuch as the growth of the correlation length upon coolingcan be understood by the spawning of magnetic clusters. Our findings explain why the search for universal exponents in quantum critical systems has been unsuccessful: the underlying percolation network associated with the chemical doping of quantum critical systems has to be incorporated in the modeling of these quantum critical systems.

  19. Energy and charge transfers between (Bu{sub 4}N){sub 2}(Ru)(dcbpyH){sub 2}(NCS){sub 2} (N719) and ZnO thin films

    SciTech Connect (OSTI)

    Ni Manman; Cheng Qiang; Zhang, W. F.

    2010-03-15

    ZnO thin films and (Bu{sub 4}N){sub 2}(Ru)(dcbpyH){sub 2}(NCS){sub 2} (called N719) sensitized ZnO thin films are grown on fluorine-doped tin oxide (FTO) conducting glass substrates using laser molecular beam epitaxy. Ultraviolet-visible absorption, photoluminescence (PL), surface photovoltage spectroscopy, and Raman scattering are employed to probe into the transition process of photogenerated charges and the interaction between ZnO and N719. The experimental results indicate that there is a significant electronic interaction between N719 and ZnO through chemiadsorption. The interaction greatly enhances the photogenerated charge separation and thus the photovoltaic response of the ZnO film but remarkedly weakens its radiative recombination, i.e., PL, implying strong energy and charge transfer occurring between N719 and ZnO. In addition, a new PL peak observed at about 720 nm in N719 sensitized ZnO/FTO is attributed to the electron-hole recombination of N719.

  20. Resistive switching in ultra-thin La{sub 0.7}Sr{sub 0.3}MnO{sub 3}/SrRuO{sub 3} superlattices

    SciTech Connect (OSTI)

    Jammalamadaka, S. Narayana; Vanacken, Johan; Moshchalkov, V. V.

    2014-07-21

    Superlattices may play an important role in next generation electronic and spintronic devices if the key-challenge of the reading and writing data can be solved. This challenge emerges from the coupling of low dimensional individual layers with macroscopic world. Here, we report the study of the resistive switching characteristics of a hybrid structure made out of a superlattice with ultrathin layers of two ferromagnetic metallic oxides, La{sub 0.7}Sr{sub 0.3}MnO{sub 3} (LSMO) and SrRuO{sub 3} (SRO). Bipolar resistive switching memory effects are measured on these LSMO/SRO superlattices, and the observed switching is explainable by ohmic and space charge-limited conduction laws. It is evident from the endurance characteristics that the on/off memory window of the cell is greater than 14, which indicates that this cell can reliably distinguish the stored information between high and low resistance states. The findings may pave a way to the construction of devices based on nonvolatile resistive memory effects.

  1. Mechanistic insight into peroxydisulfate reactivity: Oxidation of the cis,cis-[Ru(bpy)2(OH2)]2O4+ "Blue Dimmer"

    SciTech Connect (OSTI)

    Hurst, James K.; Roemeling, Margo D.; Lymar, Sergei V.

    2015-04-10

    One-electron oxidation of the ?-oxo dimer (cis,cis-[RuIII(bpy)2(OH2)]2O4+, {3,3}) to {3,4} by S2O82- can be described by three concurrent reaction pathways corresponding to the three protic forms of {3,3}. Free energy correlations of the rate constants, transient species dynamics determined by pulse radiolysis, and medium and temperature dependencies of the alkaline pathway all suggest that the rate determining step in these reactions is a strongly non-adiabatic dissociative electron transfer within a precursor ion pair leading to the {3,4}|SO42-|SO4- ion triple. As deduced from the SO4- scavenging experiments with 2-propanol, the SO4- radical then either oxidizes {3,4} to {4,4} within the ion triple, effecting a net two-electron oxidation of {3,3}, or escapes in solution with ~25 % probability to react with additional {3,3} and {3,4}, that is, effecting sequential one-electron oxidations. The reaction model presented also invokes rapid {3,3} + {4,4} ? 2{3,4} comproportionation, for which kcom ~5107 M-1 s-1 was independently measured. The model provides an explanation for the observation that despite favorable energetics, no oxidation beyond the {3,4} state was detected. As a result, the indiscriminate nature of oxidation by SO4- indicates that its fate must be quantitatively determined when using S2O82- as an oxidant

  2. HuMiChip: Development of a Functional Gene Array for the Study...

    Office of Scientific and Technical Information (OSTI)

    the gene expression of microbial communities, and potentially, the interactions of microorganisms and their hosts. less Authors: Tu, Q. ; Deng, Ye ; Lin, Lu ; Hemme, Chris L. ;...

  3. HuMiChip: Development of a Functional Gene Array for the Study...

    Office of Scientific and Technical Information (OSTI)

    was constructed with 81 genomes of bacterial strains with 54 from gut and 27 from oral environments, and 16 metagenomes, and used for selection of genes and probe design....

  4. Hmelo, Bin Hu, Alamgir Karim, Martyn McLachlan, and Ron Jones...

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

    ... Interactions with "nontraditional" users Interactions with "nontraditional" users Next-generation capabilities Suggestions for workshopssymposia gg p y p ...

  5. 2010 > Publications > Research > The Energy Materials Center...

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

    CV Subban, Q Zhou, A Hu, TE Moylan, FT Wagner and FJ DiSalvo Journal of the American Chemical Society, 132(49), pp 17531-17536, 2010 DOI: 10.1021ja1074163 Pt-Decorated PdCo@PdC...

  6. Revised Manuscript

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

    Libby, Phys. Rev. 100 (1955) 799 1955HU1B Hughes and Harvey, BNL-325 (1955) 1955JA18 D.B. James, W. Kubelka, S.A. Heiberg and J.B. Warren, Can. J. Phys. 33 (1955) 219 1955KH31 L.M....

  7. X-ray diffraction structure of the 1,1{prime}-bis(diphenylphosphino)ferrocene (dppf)-bridged complex [(dppf)AgCl]{sub 2}: An unexpected product from the reaction between cis-(bpy){sub 2}RuCl{sub 2} and dppf in the presence of AgBF{sub 4}

    SciTech Connect (OSTI)

    Yang, K.; Bott, S.G.; Richmond, M.G.

    1995-05-01

    The reaction between cis-Ru(bpy){sub 2}Cl{sub 2}(where bpy = bipyridine) and the diphosphine ligand 1,1 {prime} - bis(diphenylphosphino)ferrocene (dppf) in the presence of AgBF{sub 4} has led to the isolation of the title compound [Ag(dppf)Cl]{sub 2}. [Ag(dppf)Cl]{sub 2} has been structurally characterized by X-ray diffraction analysis, which confirms the bridging mode adopted by the ancillary dppf ligand and the centrosymmetric nature of this molecule. Dimeric [Ag(dppf)Cl]{sub 2} crystallizes in the triclinic space group P1, a = 11.426(1) {angstrom}, b = 11.509(1) {angstrom}, c = 12.786(1) {angstrom}, {alpha} = 68.96(2){degrees}, {beta} = 70.66(2){degrees} = {gamma} = 71.24(2){degrees}, V = 1441(1) {angstrom}{sup 3}, Z = 1, d{sub calc} = 1.608 g {center_dot} cm{sup {minus}3}; R = 0.0445, R{sub 2} = 0.0566 for 4486 observed reflections with l {ge} 3{sigma}(l).

  8. NMMSS Newsletter, March 2009

    National Nuclear Security Administration (NNSA)

    R e p o rtin g M o n th T ra n s a c tio ns D u e In ve n to ry D u e Ja n ua ry 2 0 0 9 F e b ru a ry 1 0 F e b ru a ry 1 6 F e b ru a ry 2 0 09 M a rch 1 1 M a rch 1 6 M a rch 2 00 9 A p ril 1 0 A p ril 1 5 A p ril 2 0 09 M a y 1 2 M a y 1 5 M a y 2 0 0 9 Ju n e 1 0 Ju n e 1 5

  9. A=20Ne (1987AJ02)

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

    7AJ02) (See Energy Level Diagrams for 20Ne) GENERAL: See (1983AJ01) and Table 20.13 [Table of Energy Levels] (in PDF or PS). Shell model: (1978WI1B, 1982BR08, 1982FL04, 1982RA1N, 1982SH30, 1983BR29, 1983DR04, 1983DR03, 1984JA15, 1984PA04, 1984RA13, 1985AN16, 1985HA15, 1985HU08, 1985MI23, 1985MU10, 1986CH28, 1986COZZ, 1986HU1G, 1986WA1R, 1987PR01). Collective, deformed and rotational models: (1981OK02, 1982BR08, 1982RA1N, 1982RO06, 1982SC20, 1983DR04, 1983DR03, 1983LO05, 1983MA29, 1983MA68,

  10. TH-C-BRD-05: Reducing Proton Beam Range Uncertainty with Patient-Specific CT HU to RSP Calibrations Based On Single-Detector Proton Radiography

    SciTech Connect (OSTI)

    Doolan, P; Sharp, G; Testa, M; Lu, H-M; Bentefour, E; Royle, G

    2014-06-15

    Purpose: Beam range uncertainty in proton treatment comes primarily from converting the patient's X-ray CT (xCT) dataset to relative stopping power (RSP). Current practices use a single curve for this conversion, produced by a stoichiometric calibration based on tissue composition data for average, healthy, adult humans, but not for the individual in question. Proton radiographs produce water-equivalent path length (WEPL) maps, dependent on the RSP of tissues within the specific patient. This work investigates the use of such WEPL maps to optimize patient-specific calibration curves for reducing beam range uncertainty. Methods: The optimization procedure works on the principle of minimizing the difference between the known WEPL map, obtained from a proton radiograph, and a digitally-reconstructed WEPL map (DRWM) through an RSP dataset, by altering the calibration curve that is used to convert the xCT into an RSP dataset. DRWMs were produced with Plastimatch, an in-house developed software, and an optimization procedure was implemented in Matlab. Tests were made on a range of systems including simulated datasets with computed WEPL maps and phantoms (anthropomorphic and real biological tissue) with WEPL maps measured by single detector proton radiography. Results: For the simulated datasets, the optimizer showed excellent results. It was able to either completely eradicate or significantly reduce the root-mean-square-error (RMSE) in the WEPL for the homogeneous phantoms (to zero for individual materials or from 1.5% to 0.2% for the simultaneous optimization of multiple materials). For the heterogeneous phantom the RMSE was reduced from 1.9% to 0.3%. Conclusion: An optimization procedure has been designed to produce patient-specific calibration curves. Test results on a range of systems with different complexities and sizes have been promising for accurate beam range control in patients. This project was funded equally by the Engineering and Physical Sciences Research Council (UK) and Ion Beam Applications (Louvain-La-Neuve, Belgium)

  11. Materials Data on ThRu3C (SG:221) by Materials Project

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

    Kristin Persson

    2015-02-09

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

  12. Fabrication of 3D Core-Shell Multiwalled Carbon Nanotube@RuO2...

    Office of Scientific and Technical Information (OSTI)

    Number: SC0001160 Resource Type: Journal Article Resource Relation: Journal Name: ACS Nano; Journal Volume: 9(1); Related Information: NEES partners with University of Maryland...

  13. Materials Data on BaLaCuRuO6 (SG:82) by Materials Project

    SciTech Connect (OSTI)

    Kristin Persson

    2015-04-15

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

  14. Materials Data on Ba(AsRu)2 (SG:139) by Materials Project

    SciTech Connect (OSTI)

    Kristin Persson

    2015-03-24

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

  15. Materials Data on BaRuO3 (SG:194) by Materials Project

    SciTech Connect (OSTI)

    Kristin Persson

    2015-05-16

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

  16. Materials Data on Ba3PrRu2O9 (SG:194) by Materials Project

    SciTech Connect (OSTI)

    Kristin Persson

    2015-03-08

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

  17. Materials Data on Ba3CuRu2O9 (SG:63) by Materials Project

    SciTech Connect (OSTI)

    Kristin Persson

    2015-03-07

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

  18. Materials Data on U2Ga8Ru (SG:123) by Materials Project

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

    Kristin Persson

    2015-02-09

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

  19. Materials Data on U2SnRu2 (SG:127) by Materials Project

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

    Kristin Persson

    2015-02-09

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

  20. Materials Data on BaLaZnRuO6 (SG:1) by Materials Project

    SciTech Connect (OSTI)

    Kristin Persson

    2014-11-02

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

  1. Materials Data on BaLaMgRuO6 (SG:82) by Materials Project

    SciTech Connect (OSTI)

    Kristin Persson

    2014-11-02

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

  2. Materials Data on RuS2 (SG:205) by Materials Project

    SciTech Connect (OSTI)

    Kristin Persson

    2014-11-02

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

  3. Materials Data on Co2RuO4 (SG:74) by Materials Project

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

    Kristin Persson

    2015-02-26

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

  4. Materials Data on NbRu (SG:123) by Materials Project

    SciTech Connect (OSTI)

    Kristin Persson

    2014-11-02

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

  5. Materials Data on TaRu (SG:123) by Materials Project

    SciTech Connect (OSTI)

    Kristin Persson

    2014-11-02

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

  6. BIG RU N INDIANA LAKESHORE RUN E LUMBER CIT Y WARSAW JOHNST

    U.S. Energy Information Administration (EIA) Indexed Site

    - 1,000 MMCF 1,000.1 - 10,000 MMCF 10,000.1 - 100,000 MMCF >100,000 MMCF Appalachian Basin Boundary Appalachian Basin, Eastern PA (Panel 3 of 7) Oil and Gas Fields By 2001 Gas

  7. BIG RU N INDIANA LAKESHORE RUN E LUMBER CIT Y WARSAW JOHNST

    U.S. Energy Information Administration (EIA) Indexed Site

    No 2001 Liquids Reserves 0.1 - 10 Mbbl 10.1 - 100 Mbbl 100.1 - 1,000 Mbbl 1,000.1 - 10,000 Mbbl Appalachian Basin Boundary Appalachian Basin, Eastern PA (Panel 3 of 7) Oil and Gas ...

  8. Materials Data on ThB2Ru3 (SG:191) by Materials Project

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

    Kristin Persson

    2015-02-09

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

  9. Materials Data on ErB2Ru3 (SG:191) by Materials Project

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

    Kristin Persson

    2014-11-02

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

  10. Materials Data on TbB2Ru3 (SG:191) by Materials Project

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

    Kristin Persson

    2014-11-02

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

  11. Materials Data on SmB2Ru3 (SG:191) by Materials Project

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

    Kristin Persson

    2014-11-02

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

  12. Materials Data on DyB2Ru3 (SG:191) by Materials Project

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

    Kristin Persson

    2014-11-02

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

  13. Materials Data on YbB2Ru3 (SG:191) by Materials Project

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

    Kristin Persson

    2015-02-09

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

  14. Materials Data on VSbRu (SG:216) by Materials Project

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

    Kristin Persson

    2015-02-18

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

  15. Materials Data on Co5RuO8 (SG:166) by Materials Project

    SciTech Connect (OSTI)

    Kristin Persson

    2015-04-10

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

  16. Composition and work function relationship in Os-Ru-W ternary...

    Office of Scientific and Technical Information (OSTI)

    Department of Chemical and Materials ... Journal of Vacuum Science and Technology. A, Vacuum, Surfaces and Films; Journal Volume: ... EMISSION; THIN FILMS; WORK ...

  17. Materials Data on Ce3(Al3Ru)4 (SG:194) by Materials Project

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

    Kristin Persson

    2015-03-19

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

  18. Materials Data on Li7RuO6 (SG:1) by Materials Project

    SciTech Connect (OSTI)

    Kristin Persson

    2014-11-02

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

  19. Materials Data on Y(GeRu)2 (SG:139) by Materials Project

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

    Kristin Persson

    2014-11-02

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

  20. Materials Data on CeSi3Ru (SG:107) by Materials Project

    SciTech Connect (OSTI)

    Kristin Persson

    2015-01-27

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

  1. Materials Data on Ho2Ru2O7 (SG:227) by Materials Project

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

    Kristin Persson

    2015-02-19

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

  2. Materials Data on Er2Ru2O7 (SG:227) by Materials Project

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

    Kristin Persson

    2015-02-09

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

  3. Materials Data on Sr(Sb3Ru)4 (SG:204) by Materials Project

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

    Kristin Persson

    2015-02-09

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

  4. Materials Data on Sr(AsRu)2 (SG:139) by Materials Project

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

    Kristin Persson

    2015-02-09

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

  5. Materials Data on Sr(GeRu)2 (SG:139) by Materials Project

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

    Kristin Persson

    2014-11-02

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

  6. Materials Data on Sr(RuO3)2 (SG:44) by Materials Project

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

    Kristin Persson

    2015-05-16

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

  7. Materials Data on Co2RuO4 (SG:74) by Materials Project

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

    Kristin Persson

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

  8. Spin-memory loss at Co/Ru interfaces (Journal Article) | DOE...

    Office of Scientific and Technical Information (OSTI)

    Sponsoring Org: USDOE Country of Publication: United States Language: English Word Cloud More Like This Free Publicly Accessible Full Text Publisher's Accepted Manuscript at...

  9. DOE Hydrogen Transition Analysis Workshop: Final Agenda

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

    January 26, 2006 U.S. Department of Energy Forrestal Building, Room GH-019 1000 Independence Avenue, SW Washington, DC 20585 F FI IN NA AL L A AG GE EN ND DA A J Ja an nu ua ar ry y 2 26 6, , T Th hu ur rs sd da ay y ( (R Ro oo om m G GH H- -0 01 19 9) ) 8:00 am Registration 8:30 am Welcome and Introduction - Steve Chalk, DOE-HFCIT 8:40 am Agenda and Purpose - Sig Gronich, DOE-HFCIT 9:10 am HyTrans Model - David Greene, ORNL 10:10 am Market Based Approaches - K.G. Duleep, EEA 10:30 am Break

  10. Materials Data on Ba6Na2V2Ru2O17 (SG:194) by Materials Project

    SciTech Connect (OSTI)

    Kristin Persson

    2015-02-19

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

  11. Magnetic properties of RT2Zn20; R = rare earth, T = Fe, Co, Ru, Os and Ir

    SciTech Connect (OSTI)

    Jia, Shuang

    2008-12-15

    It is well known that rare earth intermetallic compounds have versatile, magnetic properties associated with the 4f electrons: a local moment associated with the Hund's rule ground state is formed in general, but a strongly correlated, hybridized state may also appear for specific 4f electronic configuration (eg. for rare earth elements such as Ce or Yb). On the other hand, the conduction electrons in rare earth intermetallic compounds, certainly ones associated with non hybridizing rare earths, usually manifest non-magnetic behavior and can be treated as a normal, non-interacted Fermi liquid, except for some 3d-transition metal rich binary or ternary systems which often manifest strong, itinerant, d electron dominant magnetic behavior. Of particular interest are examples in which the band filling of the conduction electrons puts the system in the vicinity of a Stoner transition: such systems, characterized as nearly or weakly ferromagnet, manifest strongly correlated electronic properties [Moriya, 1985]. For rare earth intermetallic compounds, such systems provide an additional versatility and allow for the study of the behaviors of local moments and hybridized moments which are associated with 4f electron in a correlated conduction electron background.

  12. Suhr 7900.955 L*E+ru Pkzza. S. Iv.. Washington, D.C. 20024-i

    Office of Legacy Management (LM)

    Andrew Wallo, III, NE-23 Division of Facility & Site Decommissioning Projects U.S. ... Enc Aerospace letter subject: Status of Actions - F&RAP 27 May 1987; three ...

  13. A=18F (1959AJ76)

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

    1959AJ76) (See Energy Level Diagram for 18F) GENERAL: See also Table 18.4 [Table of Energy Levels] (in PDF or PS). Theory: See (RE54C, EL55, EL55A, NE56D, GR57D, WA59). 1. 18F(β+)18O Qm = 1.677 The positron end point is 635 ± 15 (BL49A), 649 ± 9 keV (RU51). The spectrum is simple (see (DR56A)). The half-life is 112 ± 1 min (BL49A), 111 ± 1 min (JA55), 110 ± 1 min (BE58G): log ft = 3.62. The fact that the β transition to the ground state of 18O is allowed indicates J = 1+ for 18F (assumed

  14. PBi3aws

    Office of Legacy Management (LM)

    ' ' - " r PBi3aws llpdpcLli 23, lm --+sr As & IikWxt&, 4r. : ' I ,' .i A t E12m Twm IT rprtnw, ?-&wa iLB c mm& DC., l-MuA3, ym2.?, & hr L" _ p,ru /! /" ??I". . .-Ah-J: 5nlBIJLa Atmrab r,<' ! ' ) . i-F ,.,J.l I- 7-t ' . _ +' rj .) c 5 ' 11, , L At- - cRi88~a--~3ilil k&c. #6uIDL - Alit-mm !z!imE& si r, md % & htmma L EUtun, &. n, k l%oxmck,h' . c. mJa.ffer Q . ' Lo CzlGoa E< ti+-#RclAl maw 8l.r t&lad to &tam the fu&hlU~ of

  15. Introduction to DMFCs - Advanced Materials and Concepts for Portable...

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

    ... PtRu Nanotubes from Cu Template 1 SEM images: (a) CuNW; (c) PtNT; (e) Pt 80 Ru 20 (Cu); (g) Pt 50 Ru 50 (Cu). TEM images: (b) CuNW; (d) PtNT; (f) Pt 80 Ru 20 (Cu); (h) Pt 50 Ru 50 ...

  16. Search for: All records | SciTech Connect

    Office of Scientific and Technical Information (OSTI)

    Han, Wei-Qiang (1) Hong, Jian (1) Hu, Yan-Yan (1) Jung, Hyeyoung (1) Morris, Andrew J (1) ... Germanium Anodes in Lithium-Ion Batteries Jung, Hyeyoung ; Allan, Phoebe K ; Hu, Yan-Yan ...

  17. A=14C (70AJ04)

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

    70AJ04) (See Energy Level Diagrams for 14C) GENERAL: See Table 14.1 [Table of Energy Levels] (in PDF or PS). See (JA54A, EL56B, VI57, BA58E, OT59, SK59, TA60L, WA60, BA61D, FR61B, TA62F, BL63C, NA63A, SO63, VL63A, LI64I, LO64C, BA65T, KO65F, WA65D, ZA65B, BA66PP, BO66J, GU66D, MI66C, ZA66B, GR67M, HA67G, IN67A, KO67C, KO67S, EI68, FA68C, FR68C, NE68A, RO68C, AR69E, AT69, FR69B, SH69, SO69A, SO69D). 1. 14C(β-)14N Qm = 0.156 Recent values are 5745 ± 50 y (MA61B, HU64B), 5780 ± 65 y (WA61E),

  18. Search for: All records | SciTech Connect

    Office of Scientific and Technical Information (OSTI)

    Transcriptional Activity Hu, Tiancen ; Yeh, Jennifer E. ; Pinello, Luca ; Jacob, ... ksup -1 scaling range was not observed. (c)more 2000 American Institute of ...

  19. Rix Biodiesel Limited | Open Energy Information

    Open Energy Info (EERE)

    Rix Biodiesel Limited Jump to: navigation, search Name: Rix Biodiesel Limited Place: Hull, United Kingdom Zip: HU8 7JR Product: Manufacture, blends and resells biodiesel....

  20. Development of 3rd Generation Advanced High Strength Steels ...

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

    properties Limitations: Phase transformation and bainite, not considered Hu et al., Journal Paper in preparation. PNNL, CSM, EMSL Technical Accomplishment - Nano-SIMS...

  1. Search for: All records | DOE PAGES

    Office of Scientific and Technical Information (OSTI)

    Full Text Available February 2013, American Physical Society Candidate Source of Flux Noise in SQUIDs: Adsorbed Oxygen Molecules Wang, Hui ; Shi, Chuntai ; Hu, Jun ; Han, Sungho...

  2. Deterministic coupling of delta-doped nitrogen vacancy centers...

    Office of Scientific and Technical Information (OSTI)

    P. ; Hu, Evelyn L., E-mail: ehu@seas.harvard.edu 1 ; Bracher, David O. 2 ; Ohno, ... School of Engineering and Applied Sciences, Harvard University, Cambridge, Massachusetts ...

  3. Impact of the N-Terminal Domain of STAT3 in STAT3-Dependent Transcript...

    Office of Scientific and Technical Information (OSTI)

    Authors: Hu, Tiancen ; Yeh, Jennifer E. ; Pinello, Luca ; Jacob, Jaison ; Chakravarthy, Srinivas ; Yuan, Guo-Cheng ; Chopra, Rajiv ; Frank, David A. 1 ; DFCI) 2 ; Harvard) 2 ...

  4. Negative Effective Gravity in Water Waves by Periodic Resonator...

    Office of Scientific and Technical Information (OSTI)

    Negative Effective Gravity in Water Waves by Periodic Resonator Arrays Prev Next Title: Negative Effective Gravity in Water Waves by Periodic Resonator Arrays Authors: Hu,...

  5. 2011 - 09 | Jefferson Lab

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

    September 2011 Thu, 09/29/2011 - 2:00pm Oct. 25 Lecture Highlights Treatment Technology of HU's Proton Therapy Institute

  6. This Week In Petroleum Summary Printer-Friendly Version

    Annual Energy Outlook [U.S. Energy Information Administration (EIA)]

    with distillate and gasoline production, respectively. In addition, data for planned maintenance on catalytic reforming units (CRU) and hydrocracking units (HU) are provided. The...

  7. Wildlife Impact Assessment Palisades Project, Idaho, Final Report.

    SciTech Connect (OSTI)

    Sather-Blair, Signe

    1985-02-01

    The Habitat Evaluation Procedures were used to evaluate pre- and post-construction habitat conditions of the US Bureau of Reclamation's Palisades Project in eastern Idaho. Eight evaluation species were selected with losses expressed in the number of Habitat Units (HU's). One HU is equivalent to one acre of prime habitat. The evaluation estimated that a loss of 2454 HU's of mule deer habitat, 2276 HU's of mink habitat, 2622 HU's of mallard habitat, 805 HU's of Canada goose habitat, 2331 HU's of ruffed grouse habitat, 5941 and 18,565 HU's for breeding and wintering bald eagles, and 1336 and 704 HU's for forested and scrub-shrub wetland nongame species occurred as a result of the project. The study area currently has 29 active osprey nests located around the reservoir and the mudflats probably provide more feeding habitat for migratory shore birds and waterfowl than was previously available along the river. A comparison of flow conditions on the South Fork of the Snake River below the dam between pre- and post-construction periods also could not substantiate claims that water releases from the dam were causing more Canada goose nest losses than flow in the river prior to construction. 41 refs., 16 figs., 9 tabs.

  8. Neptune Renewable Energy | Open Energy Information

    Open Energy Info (EERE)

    search Name: Neptune Renewable Energy Place: United Kingdom Zip: HU14 3JP Product: Tidal project developer. References: Neptune Renewable Energy1 This article is a stub. You...

  9. Search for: All records | SciTech Connect

    Office of Scientific and Technical Information (OSTI)

    ... Reorganization in Basal Breast Cancer Cells Wang, Daojing ; Huang, Jing ; Hu, ... a transcriptional co-regulator, but its functional role in breast cancer remains elusive. ...

  10. Structure of the oxygen-annealed chalcogenide superconductor...

    Office of Scientific and Technical Information (OSTI)

    x Authors: Hu, Hefei ; Zuo, Jian-Min ; Zheng, Mao ; Eckstein, James N. ; Park, Wan Kyu ; Greene, Laura H. ; Wen, Jinsheng ; Xu, Zhijun ; Lin, Zhiwei ; Li, Qiang ; Gu,...

  11. How ATP3 is Addressing the Challenges of Scale-up in Algae Technology...

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

    Cal Poly Tryg Lundquist Braden Crowe Eric Nicolai Commercial Algae Management Albert Vitale Robert Vitale Georgia Tech Yongsheng Chen Steven Van Ginkel Thomas Igou Zixuan Hu ASU...

  12. 2001 | Jefferson Lab

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

    HU Hosts Workshop on Physics Education (Daily Press) Tue, 07312001 - 11:00pm New Breast Cancer Imaging Instruments (Outpatient Care Technology) July 2001 Sun, 07222001 -...

  13. Steric Effect for Proton, Hydrogen-Atom, andHydride Transfer Reactions with Geometric Isomers of NADH-Model Ruthenium Complexes

    SciTech Connect (OSTI)

    Fujita E.; Cohen, B.W.; Polyansky, D.E.; Achord, P.; Cabelli, D.; Muckerman, J.T.; Tanaka, K.; Thummel, R.P.; Zong, R.

    2012-01-01

    Two isomers, [Ru(1)]{sup 2+} (Ru = Ru(bpy){sub 2}, bpy = 2,2{prime}-bipyridine, 1 = 2-(pyrid-2{prime}-yl)-1-azaacridine) and [Ru(2)]{sup 2+} (2 = 3-(pyrid-2{prime}-yl)-4-azaacridine), are bio-inspired model compounds containing the nicotinamide functionality and can serve as precursors for the photogeneration of C-H hydrides for studying reactions pertinent to the photochemical reduction of metal-C{sub 1} complexes and/or carbon dioxide. While it has been shown that the structural differences between the azaacridine ligands of [Ru(1)]{sup 2+} and [Ru(2)]{sup 2+} have a significant effect on the mechanism of formation of the hydride donors, [Ru(1HH)]{sup 2+} and [Ru(2HH)]{sup 2+}, in aqueous solution, we describe the steric implications for proton, net-hydrogen-atom and net-hydride transfer reactions in this work. Protonation of [Ru(2{sup {sm_bullet}-})]{sup +} in aprotic and even protic media is slow compared to that of [Ru(1{sup {sm_bullet}-})]{sup +}. The net hydrogen-atom transfer between *[Ru(1)]{sup 2+} and hydroquinone (H{sub 2}Q) proceeds by one-step EPT, rather than stepwise electron-proton transfer. Such a reaction was not observed for *[Ru(2)]{sup 2+} because the non-coordinated N atom is not easily available for an interaction with H{sub 2}Q. Finally, the rate of the net hydride ion transfer from [Ru(1HH)]{sup 2+} to [Ph{sub 3}C]{sup +} is significantly slower than that of [Ru(2HH)]{sup 2+} owing to steric congestion at the donor site.

  14. A novel cantharidin analog N-Benzylcantharidinamide reduces the expression

    Office of Scientific and Technical Information (OSTI)

    of MMP-9 and invasive potentials of Hep3B via inhibiting cytosolic translocation of HuR (Journal Article) | SciTech Connect A novel cantharidin analog N-Benzylcantharidinamide reduces the expression of MMP-9 and invasive potentials of Hep3B via inhibiting cytosolic translocation of HuR Citation Details In-Document Search Title: A novel cantharidin analog N-Benzylcantharidinamide reduces the expression of MMP-9 and invasive potentials of Hep3B via inhibiting cytosolic translocation of HuR

  15. Strong influence of coadsorbate interaction on CO desorption dynamics on

    Office of Scientific and Technical Information (OSTI)

    Ru(0001) probed by ultrafast x-ray spectroscopy and ab initio simulations (Journal Article) | SciTech Connect Journal Article: Strong influence of coadsorbate interaction on CO desorption dynamics on Ru(0001) probed by ultrafast x-ray spectroscopy and ab initio simulations Citation Details In-Document Search Title: Strong influence of coadsorbate interaction on CO desorption dynamics on Ru(0001) probed by ultrafast x-ray spectroscopy and ab initio simulations We show that coadsorbed oxygen

  16. Correlation between microstructure and thermionic electron emission from

    Office of Scientific and Technical Information (OSTI)

    Os-Ru thin films on dispenser cathodes (Journal Article) | SciTech Connect Correlation between microstructure and thermionic electron emission from Os-Ru thin films on dispenser cathodes Citation Details In-Document Search Title: Correlation between microstructure and thermionic electron emission from Os-Ru thin films on dispenser cathodes Osmium-ruthenium films with different microstructures were deposited onto dispenser cathodes and subjected to 1000 h of close-spaced diode testing.

  17. Search for: All records | SciTech Connect

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    ... Hester, James (1) Hu, Yan-Yan (1) Hua, Xiao (1) Kepert, Cameron J. (1) Kimpton, Justin A. ... ; Southon, Peter D. ; Kepert, Cameron J. ; Hester, James ; Kimpton, Justin A. ; ...

  18. Search for: All records | SciTech Connect

    Office of Scientific and Technical Information (OSTI)

    ... Chopra, Rajiv (2) Hu, Tiancen (2) Aster, Jon C. (1) Blacklow, Stephen C. (1) Chakravarthy, ... Tiyanont, Kittichoat (1) Vooijs, Marc (1) Xu, Xiang (1) Yeh, Jennifer E. (1) Yuan, ...

  19. Search for: All records | SciTech Connect

    Office of Scientific and Technical Information (OSTI)

    ... Gruverman, A. (2) Hu, Y. F. (2) Liu, Zi-Kui (2) Mitchell, Brian (2) Schlom, D. G. (2) Seuntjens, Jeffrey M. (2) Thompson, Elliott D. (2) Williams, R. T. (2) Yu, Fei (2) Zhang, Qi ...

  20. Search for: All records | DOE PAGES

    Office of Scientific and Technical Information (OSTI)

    Text4 Citation Only3 Filtered Results Filter Results Filter by Author Wu, Ruqian (7) Hu, Jun (4) Alicea, Jason (2) Franz, Marcel (2) Camley, Robert (1) Czap, Gregory (1) Fu,...

  1. A GPU-based Calculation Method for Near Field Effects of Cherenkov...

    Office of Scientific and Technical Information (OSTI)

    Technical Information Service, Springfield, VA at www.ntis.gov. Authors: Hu, Chia-Yu ; Chen, Chih-Ching ; Taiwan, Natl. Taiwan U. ; Chen, Pisin ; Taiwan, Natl. Taiwan U....

  2. Search for: All records | SciTech Connect

    Office of Scientific and Technical Information (OSTI)

    Chen, Chih-Ching (2) Chen, Pisin (2) Hu, Chia-Yu (2) Save Results Save this search to My Library Excel (limit 2000) CSV (limit 5000) XML (limit 5000) Have feedback or suggestions ...

  3. MOF Coating a Promising Path to White LEDs

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    MOF Coating a Promising Path to White LEDs MOF Coating a Promising Path to White LEDs Print Friday, 27 February 2015 17:11 Hu et al. designed a new yellow phosphor with high...

  4. Search for: All records | SciTech Connect

    Office of Scientific and Technical Information (OSTI)

    Hu, Michael Y. (2) Lin, Jung-Fu (2) Murphy, Caitlin A. (2) Smith, Matt C. (2) Save Results ... Xiao, Yuming ; Tan, Ming-Liang ; Ichiye, Toshiko ; Wang, Hongxin ; Guo, Yisong ; Smith, ...

  5. Search for: All records | DOE PAGES

    Office of Scientific and Technical Information (OSTI)

    Mary S. (2) Paa-Toli, Ljiljana (2) Wu, Si (2) Zhao, Rui (2) Baker, Scott E. (1) Brown, Roslyn N. (1) Deng, Shuang (1) Feng, Ju (1) Hu, Jian Zhi (1) Jiang, Yuxuan (1) Meng,...

  6. Modified magnetism within the coherence volume of superconducting...

    Office of Scientific and Technical Information (OSTI)

    Authors: Leiner J. ; Thampy V. ; Christianson, A. D. ; Abernathy, D. L. ; Stone, M. B. ; Lumsden, M. D. ; Sefat, A. S. ; Sales, B. C. ; Hu, Jin ; Mao, Zhiqiang ; Bao, Wei ; ...

  7. Structure of the oxygen-annealed chalcogenide superconductor...

    Office of Scientific and Technical Information (OSTI)

    Fe1.08Te0.55Se0.45Ox Authors: Hu, Hefei ; Zuo, Jian-Min ; Zheng, Mao ; Eckstein, James N. ; Park, Wan Kyu ; Greene, Laura H. ; Wen, Jinsheng ; Xu, Zhijun ; Lin, Zhiwei ; Li,...

  8. Hungary: Energy Resources | Open Energy Information

    Open Energy Info (EERE)

    Country Profile Name Hungary Population 9,937,628 GDP 145,153,000,000 Energy Consumption 1.11 Quadrillion Btu 2-letter ISO code HU 3-letter ISO code HUN Numeric ISO...

  9. UNC EFRC - Center for Solar FuelsUNC EFRC - Center for Solar...

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    Center. Catal. Lett. 2011, 141 (1), 1-7. LINK 22. Ess, D. H.; Johnson, E. R.; Hu, X.; Yang, W. Singlet-Triplet Energy Gaps for Diradicals from Fractional-Spin Density-Functional...

  10. Search for: All records | SciTech Connect

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    ... Germanium Anodes in Lithium-Ion Batteries Jung, Hyeyoung ; Allan, Phoebe K ; Hu, Yan-Yan ... S. ; Trease, Nicole M. ; Chang, Hee Jung ; Du, Lin-Shu ; Grey, Clare P. ; Jerschow, ...

  11. Search for: All records | SciTech Connect

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    ... Elucidation of the Local and Long-Range Structural Changes that Occur in Germanium Anodes in Lithium-Ion Batteries Jung, Hyeyoung ; Allan, Phoebe K ; Hu, Yan-Yan ; Borkiewicz, Olaf ...

  12. Elucidation of the Local and Long-Range Structural Changes that...

    Office of Scientific and Technical Information (OSTI)

    Title: Elucidation of the Local and Long-Range Structural Changes that Occur in Germanium Anodes in Lithium-Ion Batteries Authors: Jung, Hyeyoung ; Allan, Phoebe K ; Hu, Yan-Yan ; ...

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    ... Graetz, Jason (1) Han, Wei-Qiang (1) Hua, Xiao (1) Jung, Hyeyoung (1) Save Results Save ... Germanium Anodes in Lithium-Ion Batteries Jung, Hyeyoung ; Allan, Phoebe K ; Hu, Yan-Yan ...

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    ... for global collaboration to reveal these new materials. ... Fe 1 + y Te O x thin films Hu, Hefei ; Kwon, Ji-Hwan ... to represent their science in images, cartoons, ...

  15. Methods for producing complex films, and films produced thereby...

    Office of Scientific and Technical Information (OSTI)

    J. C. ; Moon, Ji -Won ; Phelps, Tommy J. ; Blue, Craig A. ; Dai, Quanqin ; Hu, Michael Z. ; Ivanov, Ilia N. ; Jellison, Jr., Gerald E. ; Love, Lonnie J. ; Ott, Ronald D. ; Parish, ...

  16. Methods for producing complex films, and films produced thereby...

    Office of Scientific and Technical Information (OSTI)

    JC ; Moon, Ji-won ; Phelps, Tommy J. ; Blue, Craig A. ; Dai, Quanqin ; Hu, Michael Z. ; Ivanov, IIia N. ; Jellison Jr., Gerald E. ; Love, Lonnie J. ; Ott, Ronald D. ; Parish, Chad ...

  17. Pulse Tidal formerly Pulse Generation | Open Energy Information

    Open Energy Info (EERE)

    formerly Pulse Generation Jump to: navigation, search Name: Pulse Tidal (formerly Pulse Generation) Place: Hull, England, United Kingdom Zip: HU5 3LP Product: UK-based developer of...

  18. Experimental observation of incoherent-coherent crossover and...

    Office of Scientific and Technical Information (OSTI)

    Authors: Liu, Z. K. ; Yi, M. ; Zhang, Y. ; Hu, J. ; Yu, R. ; Zhu, J.-X. ; He, R.-H. ; Chen, Y. L. ; Hashimoto, M. ; Moore, R. G. ; Mo, S.-K. ; Hussain, Z. ; Si, Q. ; Mao, Z. Q. ; ...

  19. Search for: All records | SciTech Connect

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    ... Seed-Mediated Synthesis of Gold Tetrahedra in High Purity and with Tunable, Well-Controlled Sizes Zheng Y. ; Hu H. ; Liu, Wenying ; Lv, Tian ; Luo, Ming ; Lu, Ping ; Choi, Sang-Il ...

  20. Center for Nanophase Materials Sciences (CNMS) - CNMS Research

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    and manipulation of the competing electronic phases near the Mott metal-insulator transition Tae-Hwan Kim1, M. Angst2, B. Hu3, R. Jin3, X. G. Zhang1, J. F. Wendelken1, E. W....

  1. DOE/SC-ARM-XXXX DOE/SC-ARM-0706 DOE/SC-ARM-0805

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    ... Dong, X, B Wielicki, B Xi, Y Hu, GG Mace, S Benson, F Rose, S Kato, T Charlock, and P ... May, PT, JH Mather, G Vaughan, C Jakob, GM McFarquhar, KN Bower, and GG Mace. 2008. "The ...

  2. Research Highlight

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    Working Group(s): Radiative Processes Journal Reference: Dong, X, BA Wielicki, B Xi, Y Hu, GG Mace, S Benson, F Rose, S Kato, T Charlock, and P Minnis. 2008. "Using observations of ...

  3. Microsoft Word - NETL-TRS-X-2014_Development of Fiber Optic Sensors...

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    ... Chem. 2008, 80, 4269-4283. Wong, W. C.; Chan, C. C.; Hu, P.; Chan, J. R.; Low, Y. T.; Dong, X.; Leong, K. C. Miniature pH optical fiber sensor based on waist-enlarged bitaper and ...

  4. 15C

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    C --Decay Evaluated Data Measurements 1950HU72: 15C; measured T12. 1956DO37: 15C; measured T12. 1964NE09: 15C; measured not abstracted; deduced nuclear properties. 1969GA05:...

  5. Scientific Achievement

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    convert furans to alcohols via hydrogenation through the MPV mechanism and then to ethers. Combined with metal catalysts (RuC), synergetic hydrogenolysis occurs. Catalytic...

  6. Activation and allosteric modulation of a muscarinic acetylcholine receptor

    Office of Scientific and Technical Information (OSTI)

    (Journal Article) | SciTech Connect Activation and allosteric modulation of a muscarinic acetylcholine receptor Citation Details In-Document Search Title: Activation and allosteric modulation of a muscarinic acetylcholine receptor Authors: Kruse, Andrew C. ; Ring, Aaron M. ; Manglik, Aashish ; Hu, Jianxin ; Hu, Kelly ; Eitel, Katrin ; Hübner, Harald ; Pardon, Els ; Valant, Celine ; Sexton, Patrick M. ; Christopoulos, Arthur ; Felder, Christian C. ; Gmeiner, Peter ; Steyaert, Jan ; Weis,

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

    -2016 Academic Year Spring Semester 2016 Hu and Munday Win Young Investigator Award UMD has Largest University Showing at 2016 ARPA-E Summit CREB Kicks Off its Research and Innovation Seed Grant Program You'll Never Be-Leaf What Makes up This Battery Fall Semester 2015 Rubloff Discusses UMD Energy Storage Center and Energy Science Hot Topics UMERC Announces RFPs for the 2016 Graduate Student Energy Fellowships Hu wins 2015 Junior Faculty Outstanding Research Award Gary Rubloff to receive Senior

  8. U.S.-China Clean Energy Research Center (CERC) | Department of Energy

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

    China Clean Energy Research Center (CERC) U.S.-China Clean Energy Research Center (CERC) In November 2009, President Barack Obama and President Hu Jintao announced the establishment of the U.S.-China Clean Energy Research Center (CERC). In November 2009, President Barack Obama and President Hu Jintao announced the establishment of the U.S.-China Clean Energy Research Center (CERC). About CERC The U.S.-China Clean Energy Research Center (CERC) operates under a bilateral diplomatic initiative to

  9. New Catalysts for Direct Methanol Oxidation Fuel Cells

    SciTech Connect (OSTI)

    Adzic, Radoslav

    1998-08-01

    A new class of efficient electrocatalytic materials based on platinum - metal oxide systems has been synthetized and characterized by several techniques. Best activity was found with NiWO{sub 4}-, CoWO{sub 4}-, and RuO{sub 2}- srpported platinum catalysts. A very similar activity at room temperature was observed with the electrodes prepared with the catalyst obtained from International Fuel Cells Inc. for the same Pt loading. Surprisingly, the two tungstates per se show a small activity for methanol oxidation without any Pt loading. Synthesis of NiWO{sub 4} and CoWO{sub 4} were carried out by solid-state reactions. FTIR spectroscopy shows that the tungstates contain a certain amount of physically adsorbed water even after heating samples at 200{degrees}C. A direct relationship between the activity for methanol oxidation and the amount of adsorbed water on those oxides has been found. The Ru(0001) single crystal shows a very small activity for CO adsorption and oxidation, in contrast to the behavior of polycrystalline Ru. In situ extended x-ray absorption fine structure spectroscopy (EXAFS) and x-ray absorption near edge spectroscopy (XANES) showed that the OH adsorption on Ru in the Pt-Ru alloy appears to be the limiting step in methanol oxidation. This does not occur for Pt-RuO{SUB 2} electrocatalyst, which explains its advantages over the Pt-Ru alloys. The IFCC electrocatalyst has the properties of the Pt-Ru alloy.

  10. SOME RECENT STUDIES IN RUGHENIUM ELECTROCHEMISTRY AND ELECTROCATALYSIS.

    SciTech Connect (OSTI)

    MARINKOVIC, N.S.; VUKMIROVIC, M.B.; ADZIC, R.R.

    2006-08-01

    Ruthenium is a metal of a considerable importance in electrochemical science and technology. It is a catalyst or co-catalyst material in Pt-Ru alloys for methanol- and reformate hydrogen-oxidation in fuel cells, while ruthenium oxide, a component in chlorine-evolution catalysts, represents an attractive material for electrochemical supercapacitors. Its facile surface oxidation generates an oxygen-containing species that provides active oxygen in some reactions. Ru sites in Pt-Ru catalysts increase the ''CO tolerance'' of Pt in the catalytic oxidation-reaction in direct methanol fuel cells (DMFC) and in reformate hydrogen-oxidation in proton exchange membrane fuel cells (PEMFC). The mechanism of Ru action is not completely understood, although current consensus revolves around the so-called ''bifunctional mechanism'' wherein Ru provides oxygenated species to oxidize CO that blocks Pt sites, and has an electronic effect on Pt-CO interaction. While various studies of polycrystalline Ru go back several decades those involving single crystal surfaces and the structural sensitivity of reactions on Ru surfaces emerged only recently. Using well-ordered single crystalline surfaces brings useful information as the processes on realistic catalysts are far too complex to allow identification of the microscopic reaction steps. In this article, we focus on progress in model systems and conditions, such as electrochemistry and electrocatalysis on bare and Pt-modified well-ordered Ru(0001) and Ru(10{bar 1}0) single-crystal surfaces. We also review current understanding of the mechanistic principles of Pt-Ru systems and a new development of a Pt submonolayer on Ru support electrocatalyst. Ruthenium crystallizes in a hexagonal close-packed structure, (hcp). Figure 1.1 shows the two single crystal surfaces of Ru. The Ru(0001) surface possesses the densest, i.e. hexagonal arrangement of atoms, Fig. 1.1a. The other plane, Ru(10{bar 1}0), can have one of the two terminations of the surface atoms, Fig. 1.1b. One termination can be described as a stepped surface with a trigonal arrangement of atoms in two-atom-long terraces with a step of the same orientation; the other termination is a square-symmetrical arrangement of atoms in two-atom-long terraces with the same orientation of atoms in steps. In the faced-centered cubic (fcc) system, these three structures are uniquely defined and labeled as (111), (110), and (210), respectively.

  11. An expert system framework for nondestructive waste assay

    SciTech Connect (OSTI)

    Becker, G.K.

    1996-10-01

    Management and disposition of transuranic (RU) waste forms necessitates determining entrained RU and associated radioactive material quantities as per National RU Waste Characterization Program requirements. Technical justification and demonstration of a given NDA method used to determine RU mass and uncertainty in accordance with program quality assurance is difficult for many waste forms. Difficulties are typically founded in waste NDA methods that employ standards compensation and/or employment of simplifying assumptions on waste form configurations. Capability to determine and justify RU mass and mass uncertainty can be enhanced through integration of waste container data/information using expert system and empirical data-driven techniques with conventional data acquisition and analysis. Presented is a preliminary expert system framework that integrates the waste form data base, alogrithmic techniques, statistical analyses, expert domain knowledge bases, and empirical artificial intelligence modules into a cohesive system. The framework design and bases in addition to module development activities are discussed.

  12. Unit-cell thick BaTiO{sub 3} blocks octahedral tilt propagation across oxide heterointerface

    SciTech Connect (OSTI)

    Kan, Daisuke Aso, Ryotaro; Kurata, Hiroki; Shimakawa, Yuichi

    2014-05-14

    We fabricated SrRuO{sub 3}/BaTiO{sub 3}/GdScO{sub 3} heterostructures in which the BaTiO{sub 3} layer is one unit cell thick by pulsed laser deposition and elucidated how the BaTiO{sub 3} layer influences structural and magneto-transport properties of the SrRuO{sub 3} layer through octahedral connections across the heterointerface. Our X-ray-diffraction-based structural characterizations show that while an epitaxial SrRuO{sub 3} layer grown directly on a GdScO{sub 3} substrate is in the monoclinic phase with RuO{sub 6} octahedral tilts, a one-unit-cell-thick BaTiO{sub 3} layer inserted between SrRuO{sub 3} and GdScO{sub 3} stabilizes the tetragonal SrRuO{sub 3} layer with largely reduced RuO{sub 6} tilts. Our high-angle annular dark-field and annular bright-field scanning transmission electron microscopy observations provide an atomic-level view of the octahedral connections across the heterostructure and reveal that the BaTiO{sub 3} layer only one unit cell thick is thick enough to stabilize the RuO{sub 6}-TiO{sub 6} octahedral connections with negligible in-plane oxygen atomic displacements. This results in no octahedral tilts propagating into the SrRuO{sub 3} layer and leads to the formation of a tetragonal SrRuO{sub 3} layer. The magneto-transport property characterizations also reveal a strong impact of the octahedral connections modified by the inserted BaTiO{sub 3} layer on the spin-orbit interaction of the SrRuO{sub 3} layer. The SrRuO{sub 3} layer on BaTiO{sub 3}/ GdScO{sub 3} has in-plane magnetic anisotropy. This is in contrast to the magnetic anisotropy of the monoclinic SrRuO{sub 3} films on the GdScO{sub 3} substrate, in which the easy axis is ?45 to the film surface normal. Our results demonstrate that the one-unit-cell-thick layer of BaTiO{sub 3} can control and manipulate the interfacial octahedral connection closely linked to the structure-property relationship of heterostructures.

  13. Relation between combustion heat and chemical wood composition during white and brown rot

    SciTech Connect (OSTI)

    Dobry, J.; Dziurzynski, A.; Rypacek, V.

    1986-01-01

    Samples of beech and spruce wood were incubated with the white rot fungi Pleurotus ostreatus and Lentinus tigrinus and the brown rot fungi Fomitopsis pinicola and Serpula lacrymans (S. lacrimans) for four months. Decomposition (expressed as percent weight loss) and amounts of holocellulose, lignin, humic acids (HU), hymatomelanic acids (HY) and fulvo acids (FU) were determined and expressed in weight percent. Combustion heat of holocellulose and lignin was determined in healthy wood and in specimens where decomposition was greater than 50%. During white rot decomposition, combustion heat was unchanged even at high decomposition and the relative amounts of holocellulose and lignin remained the same. Total amounts of HU, HY and FU increased during the initial stages and stabilized at 20%. The content of HU plus HY was negligible even at the highest degree of decomposition. During brown rot decomposition, combustion heat was unchanged only in the initial stages, it increased continously with increasing rot. Lignin content was unchanged in the initial stages and increased after 30% weight loss. Total amounts of HU, HY and FU increased continuously, reaching higher values than in white rot decomposition; there were differences between the two species. Biosynthesis of HU plus HY began when weight loss reached 30%; there were differences in absolute and relative amounts between species. 24 references.

  14. Draft New England Clean Power Link Project Environmental Impact Statement Appendix A-L

    Office of Environmental Management (EM)

    5 5 5 5 5 5 5 5 5 5 5 5 5 R U T L A N D C I T Y ( R C ) W E S T R U T L A N D ( W R ) R U T L A N D ( R U ) Type = P State Rank = SH State Listed = N Federal Rank = Q U A R T E R L I N E R D D O R R D R B O A R D M A N H I L L R D P A R K E R S RU N B E LO C K DR S A DI P L T R A V I S T E R R C A M P B E L L R D £ ¤ US-4 £ ¤ US-4 S h e e t 2 5 Sh ee t 27 7 0 0 7 0 0 7 5 0 7 5 0 800 750 T-WR-S1(I) T-RU-S8(E) T-WR-DITCH1(JD) T-RU-S4(I) T-RU-DITCH4(JD) T-RU-S6(E) T-RU-S10(E) T-RU-S7(I)

  15. MODELING THE NONLINEAR CLUSTERING IN MODIFIED GRAVITY MODELS. I. A FITTING FORMULA FOR THE MATTER POWER SPECTRUM OF f(R) GRAVITY

    SciTech Connect (OSTI)

    Zhao, Gong-Bo

    2014-04-01

    Based on a suite of N-body simulations of the Hu-Sawicki model of f(R) gravity with different sets of model and cosmological parameters, we develop a new fitting formula with a numeric code, MGHalofit, to calculate the nonlinear matter power spectrum P(k) for the Hu-Sawicki model. We compare the MGHalofit predictions at various redshifts (z ? 1) to the f(R) simulations and find that the relative error of the MGHalofit fitting formula of P(k) is no larger than 6% at k ? 1 h Mpc{sup 1} and 12% at k in (1, 10] h Mpc{sup 1}, respectively. Based on a sensitivity study of an ongoing and a future spectroscopic survey, we estimate the detectability of a signal of modified gravity described by the Hu-Sawicki model using the power spectrum up to quasi-nonlinear scales.

  16. Ruthenium / aerogel nanocomposits via Atomic Layer Deposition

    SciTech Connect (OSTI)

    Biener, J; Baumann, T F; Wang, Y; Nelson, E J; Kucheyev, S O; Hamza, A V; Kemell, M; Ritala, M; Leskela, M

    2006-08-28

    We present a general approach to prepare metal/aerogel nanocomposites via template directed atomic layer deposition (ALD). In particular, we used a Ru ALD process consisting of alternating exposures to bis(cyclopentadienyl)ruthenium (RuCp{sub 2}) and air at 350 C to deposit metallic Ru nanoparticles on the internal surfaces of carbon and silica aerogels. The process does not affect the morphology of the aerogel template and offers excellent control over metal loading by simply adjusting the number of ALD cycles. We also discuss the limitations of our ALD approach, and suggest ways to overcome these.

  17. Vacuum space charge effects in sub-picosecond soft X-ray photoemission on a molecular adsorbate layer

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

    Dell'Angela, M.; Anniyev, T.; Beye, M.; Coffee, R.; Föhlisch, A.; Gladh, J.; Kaya, S.; Katayama, T.; Krupin, O.; Nilsson, A.; et al

    2015-03-01

    Vacuum space charge-induced kinetic energy shifts of O 1s and Ru 3d core levels in femtosecond soft X-ray photoemission spectra (PES) have been studied at a free electron laser (FEL) for an oxygen layer on Ru(0001). We fully reproduced the measurements by simulating the in-vacuum expansion of the photoelectrons and demonstrate the space charge contribution of the high-order harmonics in the FEL beam. Employing the same analysis for 400 nm pump-X-ray probe PES, we can disentangle the delay dependent Ru 3d energy shifts into effects induced by space charge and by lattice heating from the femtosecond pump pulse.

  18. Conformational Melding Permits a Conserved Binding Geometry in TCR Recognition of Foreign and Self Molecular Mimics

    SciTech Connect (OSTI)

    Borbulevych, Oleg Y.; Piepenbrink, Kurt H.; Baker, Brian M.

    2012-03-16

    Molecular mimicry between foreign and self Ags is a mechanism of TCR cross-reactivity and is thought to contribute to the development of autoimmunity. The {alpha}{beta} TCR A6 recognizes the foreign Ag Tax from the human T cell leukemia virus-1 when presented by the class I MHC HLA-A2. In a possible link with the autoimmune disease human T cell leukemia virus-1-associated myelopathy/tropical spastic paraparesis, A6 also recognizes a self peptide from the neuronal protein HuD in the context of HLA-A2. We found in our study that the complexes of the HuD and Tax epitopes with HLA-A2 are close but imperfect structural mimics and that in contrast with other recent structures of TCRs with self Ags, A6 engages the HuD Ag with the same traditional binding mode used to engage Tax. Although peptide and MHC conformational changes are needed for recognition of HuD but not Tax and the difference of a single hydroxyl triggers an altered TCR loop conformation, TCR affinity toward HuD is still within the range believed to result in negative selection. Probing further, we found that the HuD-HLA-A2 complex is only weakly stable. Overall, these findings help clarify how molecular mimicry can drive self/nonself cross-reactivity and illustrate how low peptide-MHC stability can permit the survival of T cells expressing self-reactive TCRs that nonetheless bind with a traditional binding mode.

  19. SU-E-I-63: Quantitative Evaluation of the Effects of Orthopedic Metal Artifact Reduction (OMAR) Software On CT Images for Radiotherapy Simulation

    SciTech Connect (OSTI)

    Jani, S [Sharp Memorial Hospital, San Diego, CA (United States)

    2014-06-01

    Purpose: CT simulation for patients with metal implants can often be challenging due to artifacts that obscure tumor/target delineation and normal organ definition. Our objective was to evaluate the effectiveness of Orthopedic Metal Artifact Reduction (OMAR), a commercially available software, in reducing metal-induced artifacts and its effect on computed dose during treatment planning. Methods: CT images of water surrounding metallic cylindrical rods made of aluminum, copper and iron were studied in terms of Hounsfield Units (HU) spread. Metal-induced artifacts were characterized in terms of HU/Volume Histogram (HVH) using the Pinnacle treatment planning system. Effects of OMAR on enhancing our ability to delineate organs on CT and subsequent dose computation were examined in nine (9) patients with hip implants and two (2) patients with breast tissue expanders. Results: Our study characterized water at 1000 HU with a standard deviation (SD) of about 20 HU. The HVHs allowed us to evaluate how the presence of metal changed the HU spread. For example, introducing a 2.54 cm diameter copper rod in water increased the SD in HU of the surrounding water from 20 to 209, representing an increase in artifacts. Subsequent use of OMAR brought the SD down to 78. Aluminum produced least artifacts whereas Iron showed largest amount of artifacts. In general, an increase in kVp and mA during CT scanning showed better effectiveness of OMAR in reducing artifacts. Our dose analysis showed that some isodose contours shifted by several mm with OMAR but infrequently and were nonsignificant in planning process. Computed volumes of various dose levels showed <2% change. Conclusions: In our experience, OMAR software greatly reduced the metal-induced CT artifacts for the majority of patients with implants, thereby improving our ability to delineate tumor and surrounding organs. OMAR had a clinically negligible effect on computed dose within tissues. Partially funded by unrestricted educational grant from Philips.

  20. Human monoclonal antibodies derived from a patient infected with 2009 pandemic influenza A virus broadly cross-neutralize group 1 influenza viruses

    SciTech Connect (OSTI)

    Pan, Yang; Sasaki, Tadahiro; Du, Anariwa; and others

    2014-07-18

    Highlights: Influenza infection can elicit heterosubtypic antibodies to group 1 influenza virus. Three human monoclonal antibodies were generated from an H1N1-infected patient. The antibodies predominantly recognized ?-helical stem of viral hemagglutinin (HA). The antibodies inhibited HA structural activation during the fusion process. The antibodies are potential candidates for future antibody therapy to influenza. - Abstract: Influenza viruses are a continuous threat to human public health because of their ability to evolve rapidly through genetic drift and reassortment. Three human monoclonal antibodies (HuMAbs) were generated in this study, 1H11, 2H5 and 5G2, and they cross-neutralize a diverse range of group 1 influenza A viruses, including seasonal H1N1, 2009 pandemic H1N1 (H1N1pdm) and avian H5N1 and H9N2. The three HuMAbs were prepared by fusing peripheral blood lymphocytes from an H1N1pdm-infected patient with a newly developed fusion partner cell line, SPYMEG. All the HuMAbs had little hemagglutination inhibition activity but had strong membrane-fusion inhibition activity against influenza viruses. A protease digestion assay showed the HuMAbs targeted commonly a short ?-helix region in the stalk of the hemagglutinin. Furthermore, Ile45Phe and Glu47Gly double substitutions in the ?-helix region made the HA unrecognizable by the HuMAbs. These two amino acid residues are highly conserved in the HAs of H1N1, H5N1 and H9N2 viruses. The HuMAbs reported here may be potential candidates for the development of therapeutic antibodies against group 1 influenza viruses.

  1. Allocation of Flight Hours

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

    Allocation of Flight Hours for G-1 Pattern Number Name/Description Hours per flight Number of Flights Total # of Hours Fraction of Allotment (60hrs) Likely Start Time Weather Conditions 1 Stack Pattern 1 (Instrument testing) 3.5 1 3.5 6% 10:00-12:00 Shallow clouds, Cu Hu- Cu Me, Ci are okay 2 Stack Pattern 2 Basic OKC Cloudy Air Flight Plan (some in coordination with ER-2) 3.5 5 17.5 30% 10:00-12:00 Shallow clouds, Cu Hu- Cu Me, Ci are okay 3 Stack Pattern 3 Basic OKC Clear Air Flight Plan 3.5 5

  2. Localization of human elav-like neuronal protein 1 (Hel-N1) on chromosome 9p21 by chromosome microdissection polymerase chain reaction and fluorescence in situ hybridization

    SciTech Connect (OSTI)

    Han, Jian; Knops, J.F.; Longshore, J.W.; King, P.H.

    1996-08-15

    Hel-N1 is a member of the highly conserved elav family of neuronal genes. It shares considerable sequence homology with HuD, another human member, and both genes are expressed in brain. HuD was recently mapped to chromosome 1p34. Here, we have utilized chromosome microdissection polymerase chain reaction and fluorescence in situ hybridization to map Hel-N1 to chromosome 9p21. The different chromosomal locations of these homologous genes underscore their distinct identities. 10 refs., 2 figs.

  3. Microsoft PowerPoint - DOE NEAC 13June2013 draft B

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

    Research Project FHR Overview for DOE Nuclear Energy Advisory Committee gy y Per Peterson (UCB), Charles Forsberg (MIT), Lin Win Hu (MIT) and Kumar Sridharan (UW) Lin-Win Hu (MIT), and Kumar Sridharan (UW) 13 June 2013 http://canes.mit.edu/sites/default/files/reports/ANP-147_1-2013_FHR-rpt.pdf Fl id S l C l d 2 Fluoride Salt-Cooled High-Temperature Reactor (FHR) Reactor (FHR) General Electric S-PRISM The image cannot be display ed. Your computer may not hav e enough memory to open the image, or

  4. News Story | NEES - EFRC | University of Maryland Energy Frontier Research

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

    Center Invalid Story ID No article found for this site Current Headlines Hu and Munday Win Young Investigator Award UMD has Largest University Showing at 2016 ARPA-E Summit CREB Kicks Off its Research and Innovation Seed Grant Program You'll Never Be-Leaf What Makes up This Battery Rubloff Discusses UMD Energy Storage Center and Energy Science Hot Topics UMERC Announces RFPs for the 2016 Graduate Student Energy Fellowships Hu wins 2015 Junior Faculty Outstanding Research Award Gary Rubloff

  5. Search for: All records | SciTech Connect

    Office of Scientific and Technical Information (OSTI)

    Switch to Detail View for this search SciTech Connect Search Results Page 1 of 1 Search for: All records Creators/Authors contains: "Hu, Chia-Yu" × Sort by Relevance Sort by Date (newest first) Sort by Date (oldest first) Sort by Relevance « Prev Next » Everything2 Electronic Full Text2 Citations0 Multimedia0 Datasets0 Software0 Filter Results Filter by Subject astrophysics,astro (2) Filter by Author Chen, Chih-Ching (2) Chen, Pisin (2) Hu, Chia-Yu (2) Save Results Save this search

  6. Book review of Dragonfly Genera of the New World. An Illustrated and Annotated Key to the Anisoptera. Garrison, R.W., N. Von Ellenrieder and J.A. Louton, Johns Hopkins Univ. Press, Baltimore, MD. xi+368 pp. Hardback, ISBN 0-8018-8446-2

    SciTech Connect (OSTI)

    Cannings, R.A.

    2007-03-15

    This superb book is the most important reference on the Order Odonata to appear since the 1999 publication of Philip Corbet's monumental work on the behavior and ecology of Odonata. In the context of specimen identification and faunistics, it is the most significant contribution in decades, for it opens a new door to the most diverse and least known dragonfly fauna on Earth, that of the Neotropical Region. The book treats the genera of all the New World dragonflies, but while the Nearctic Anisoptera (at least north of the Mexican border) is extensively summarized in many taxonomic and identification manuals (e.g., Needham et al. 2000), the Neotropical fauna remains rather poorly known. Much of it still is undescribed and taxonomic syntheses are few and far between. This is partly because of its huge diversity, the remoteness of much of the region, and the relative scarcity of specimens in collections. As T. W. Donnelly (2006) noted in a recent review of this book, the New World tropics have always been a challenge to biologists in many disciplines because the region was first colonized by the Spanish and Portuguese who largely lacked the tradition of natural history studies characteristic of the British, French, Dutch and Germans in Africa, India or Southeast Asia. In South America there simply was no F. C. Fraser to write an equivalent to his three volumes on the Odonata in The Fauna of British India. Borror (1945) was an early and wonderful resource for deciphering the genera of the large family Libellulidae in the Americas. Calvert's hard-to-find contributions on the Odonata (1902-1908) in the Biologia Centrali-Americana helped students of the Central American fauna; the updated equivalent by Foerster (2001) for Mesoamerican genera is also important. But as far as syntheses and overviews, that's about all there was - until now.

  7. Characterization of Palladium and Ruthenium after Reaction with Tetraphenylborate and Mercury

    SciTech Connect (OSTI)

    Duff, M.C.

    2001-09-11

    This report documents a second series of X-ray fine structure and chemical analyses to examine the form that Pd - and, to a lesser extent, ruthenium (Ru) - takes in simulated high-level slurries containing TPB salts.

  8. Hammerfest Strom UK co owned by StatoilHydro | Open Energy Information

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    navigation, search Name: Hammerfest Strom UK co owned by StatoilHydro Address: The Innovation Centre 1 Ainslie Road Hillington Business Park Place: Glasgow Zip: G52 4RU Region:...

  9. Microsoft Word - 11-0656 _signature on file_.docx

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    RU:MAG:11-0656:UFC 2300.00 Department of Energy Carlsbad Field Office P. O. Box 3090 Carlsbad, New Mexico 88221 August 17, 2011 Mr. John Kieling, Acting Chief Hazardous Waste...

  10. Research Update: Interface-engineered oxygen octahedral tilts...

    Office of Scientific and Technical Information (OSTI)

    Our state-of-the-art annular bright-field imaging in aberration-corrected scanning transmission electron microscopy revealed that the RuOsub 6 octahedral distortions in the ...

  11. Platinum Nickel Nanowires as Methanol Oxidation Electrocatalysts

    SciTech Connect (OSTI)

    Alia, Shaun M.; Pylypenko, Svitlana; Neyerlin, Kenneth C.; Kocha, Shyam S.; Pivovar, Bryan S.

    2015-08-27

    We investigated platinum(Pt) nickel (Ni) nanowires (PtNiNWs) as methanol oxidation reaction (MOR) catalysts in rotating disk electrode (RDE) half-cells under acidic conditions. Pt-ruthenium (Ru) nanoparticles have long been the state of the art MOR catalyst for direct methanol fuel cells (DMFCs) where Ru provides oxophilic sites, lowering the potential for carbon monoxide oxidation and the MOR onset. Ru, however, is a precious metal that has long term durability concerns. Ni/Ni oxide species offer a potential to replace Ru in MOR electrocatalysis. PtNiNWs were investigated for MOR and oxygen annealing was investigated as a route to improve catalyst performance (mass activity 65% greater) and stability to potential cycling. Our results presented show that PtNiNWs offer significant promise in the area, but also result in Ni ion leaching that is a concern requiring further evaluation in fuel cells.

  12. Bioenergy Technology Ltd | Open Energy Information

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    Technology Ltd Jump to: navigation, search Name: Bioenergy Technology Ltd Place: East Sussex, United Kingdom Zip: TN22 5RU Sector: Biomass Product: Firm dedicated to the use of...

  13. Search for: All records | SciTech Connect

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    Search Authors Type: All BookMonograph ConferenceEvent Journal Article Miscellaneous ... ; Morozkin, A.V., E-mail: morozkin@tech.chem.msu.ru ; Ivanova, T.I. ; Koshkid'ko, Yu.S. ...

  14. Platinum Nickel Nanowires as Methanol Oxidation Electrocatalysts

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

    Alia, Shaun M.; Pylypenko, Svitlana; Neyerlin, Kenneth C.; Kocha, Shyam S.; Pivovar, Bryan S.

    2015-08-27

    We investigated platinum(Pt) nickel (Ni) nanowires (PtNiNWs) as methanol oxidation reaction (MOR) catalysts in rotating disk electrode (RDE) half-cells under acidic conditions. Pt-ruthenium (Ru) nanoparticles have long been the state of the art MOR catalyst for direct methanol fuel cells (DMFCs) where Ru provides oxophilic sites, lowering the potential for carbon monoxide oxidation and the MOR onset. Ru, however, is a precious metal that has long term durability concerns. Ni/Ni oxide species offer a potential to replace Ru in MOR electrocatalysis. PtNiNWs were investigated for MOR and oxygen annealing was investigated as a route to improve catalyst performance (mass activitymore » 65% greater) and stability to potential cycling. Our results presented show that PtNiNWs offer significant promise in the area, but also result in Ni ion leaching that is a concern requiring further evaluation in fuel cells.« less

  15. 1

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    for Basic Research, Project N01-05-64405 and Atmospheric Radiation Measurement (ARM) Program (Contract 354760-A-Q1). Corresponding Author A. Isakov, mailadm@omega.ifaran.ru 3...

  16. 7Be

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    7Be(EC); measured decay products, E, I; deduced precise T12 values for different materials. Measurements for Branching Ratios 1938RU01: 7Be. 1948KU10: 7Be; measured E....

  17. Elucidating Hydrogen Oxidation/Evolution Kinetics in Base and...

    Office of Scientific and Technical Information (OSTI)

    Elucidating Hydrogen OxidationEvolution Kinetics in Base and Acid by Enhanced Activities at the Optimized Pt Shell Thickness on the Ru Core Citation Details In-Document Search...

  18. Transuranic Waste Transportation Containers - Fact Sheet

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

    Types of Containers Container Waste Type Status of Certification T RU PA CT -II Con tact-H andled Approved by NRC , August 1989 H alf P AC T Con tact-H andled Approved by NRC ,...

  19. Microsoft Word - Tacoma-Raver-Substation-Antenna-CX.doc

    Office of Environmental Management (EM)

    EH ZRUNLQJ ZLWKLQ WKH HLVWLQJ&15; JUDYHOHG VXEVWDWLRQ DUGV DQG FRQWURO KRXVHV&30; WKHUH LV QR YHJHWDWLRQ LQ WKH DUGV DQG QR KDELWDW RU VSHFLDO DUHDV RI LQWHUHVW WKDW ZRXOG EH...

  20. Self-oscillating AB diblock copolymer developed by post modification strategy

    SciTech Connect (OSTI)

    Ueki, Takeshi E-mail: ryo@cross.t.u-tokyo.ac.jp; Onoda, Michika; Tamate, Ryota; Yoshida, Ryo E-mail: ryo@cross.t.u-tokyo.ac.jp; Shibayama, Mitsuhiro

    2015-06-15

    We prepared AB diblock copolymer composed of hydrophilic poly(ethylene oxide) segment and self-oscillating polymer segment. In the latter segment, ruthenium tris(2,2?-bipyridine) (Ru(bpy){sub 3}), a catalyst of the Belousov-Zhabotinsky reaction, is introduced into the polymer architecture based on N-isopropylacrylamide (NIPAAm). The Ru(bpy){sub 3} was introduced into the polymer segment by two methods; (i) direct random copolymerization (DP) of NIPAAm and Ru(bpy){sub 3} vinyl monomer and (ii) post modification (PM) of Ru(bpy){sub 3} with random copolymer of NIPAAm and N-3-aminopropylmethacrylamide. For both the diblock copolymers, a bistable temperature region (the temperature range; ?T{sub m}), where the block copolymer self-assembles into micelle at reduced Ru(bpy){sub 3}{sup 2+} state whereas it breaks-up into individual polymer chain at oxidized Ru(bpy){sub 3}{sup 3+} state, monotonically extends as the composition of the Ru(bpy){sub 3} increases. The ?T{sub m} of the block copolymer prepared by PM is larger than that by DP. The difference in ?T{sub m} is rationalized from the statistical analysis of the arrangement of the Ru(bpy){sub 3} moiety along the self-oscillating segments. By using the PM method, the well-defined AB diblock copolymer having ?T{sub m} (ca. 25?C) large enough to cause stable self-oscillation can be prepared. The periodic structural transition of the diblock copolymer in a dilute solution ([Polymer]?=?0.1?wt.?%) is closely investigated in terms of the time-resolved dynamic light scattering technique at constant temperature in the bistable region. A macroscopic viscosity oscillation of a concentrated polymer solution (15?wt.?%) coupled with the periodic microphase separation is also demonstrated.

  1. Browse by Discipline -- E-print Network Subject Pathways: Fossil Fuels --

    Office of Scientific and Technical Information (OSTI)

    Energy, science, and technology for the research community -- hosted by the Office of Scientific and Technical Information, U.S. Department of Energy Y Z Yang, Sichun (Sichun Yang) - Center for Proteomics and Bioinformatics & Department of Pharmacology, Case Western Reserve University Yang, Yee Hwa (Yee Hwa Yang) - School of Mathematics and Statistics, University of Sydney Ye, Yuzhen (Yuzhen Ye) - School of Informatics and Computing, Indiana University Yeh, Ru-Fang (Ru-Fang Yeh) -

  2. Vapor Synthesis and Thermal Modification of Supportless Platinum-Ruthenium Nanotubes and Application as Methanol Electrooxidation Catalysts

    SciTech Connect (OSTI)

    Atkinson III, Robert; Unocic, Raymond R; Unocic, Kinga A; Veith, Gabriel M; Papandrew, Alexander B; Zawodzinski, Thomas A

    2015-01-01

    Metallic, mixed-phase, and alloyed bimetallic Pt-Ru nanotubes were synthesized by a novel route based on the sublimation of metal acetylacetonate precursors and their subsequent vapor deposition within anodic alumina templates. Nanotube architectures were tuned by thermal annealing treatments. As-synthesized nanotubes are composed of nanoparticulate, metallic platinum and hydrous ruthenium oxide whose respective thicknesses depend on the sample chemical composition. The Pt-decorated, hydrous Ru oxide nanotubes may be thermally annealed to promote a series of chemical and physical changes to the nanotube structures including alloy formation, crystallite growth and morphological evolution. Annealed Pt-Ru alloy nanotubes and their as-synthesized analogs demonstrate relatively high specific activities for the oxidation of methanol. As-synthesized, mixed-phase Pt-Ru nanotubes (0.39 mA/cm2) and metallic alloyed Pt64Ru36NTs (0.33 mA/cm2) have considerably higher area-normalized activities than PtRu black (0.22 mA/cm2) at 0.65 V vs. RHE.

  3. Research Update: Interface-engineered oxygen octahedral tilts in perovskite oxide heterostructures

    SciTech Connect (OSTI)

    Kan, Daisuke Aso, Ryotaro; Kurata, Hiroki; Shimakawa, Yuichi

    2015-06-01

    Interface engineering of structural distortions is a key for exploring the functional properties of oxide heterostructures and superlattices. In this paper, we report on our comprehensive investigations of oxygen octahedral distortions at the heterointerface between perovskite oxides SrRuO{sub 3} and BaTiO{sub 3} on GdScO{sub 3} substrates and of the influences of the interfacially engineered distortions on the magneto-transport properties of the SrRuO{sub 3} layer. Our state-of-the-art annular bright-field imaging in aberration-corrected scanning transmission electron microscopy revealed that the RuO{sub 6} octahedral distortions in the SrRuO{sub 3} layer have strong dependence on the stacking order of the SrRuO{sub 3} and BaTiO{sub 3} layers on the substrate. This can be attributed to the difference in the interfacial octahedral connections. We also found that the stacking order of the oxide layers has a strong impact on the magneto-transport properties, allowing for control of the magnetic anisotropy of the SrRuO{sub 3} layer through interface engineering. Our results demonstrate the significance of the interface engineering of the octahedral distortions on the structural and physical properties of perovskite oxides.

  4. Temperature coefficients for PV modules and arrays: Measurement...

    Office of Scientific and Technical Information (OSTI)

    methods, difficulties, and results King, D.L.; Kratochvil, J.A.; Boyson, W.E. 14 SOLAR ENERGY; SOLAR CELL ARRAYS; SOLAR CELLS; MEASURING METHODS; TEMPERATURE DEPENDENCE;...

  5. ARM - Publications: Science Team Meeting Documents

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

    the Black Carbon State of Mixture Fiebig, M. and Ogren, J.A., National Oceanic and Administrative Administration - Climate Monitoring and Diagnostics Laboratory Fourteenth...

  6. Jack A. Gilbert | Argonne National Laboratory

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

    E, Gilbert JA, Quinn JP, McGrath JW. Direct quantification of ingoranic polyphosphate in microbial cells using 4'-6-diamidino-2-phenylindole (DAPI). Environmental Science and...

  7. Dedini A ucar e lcool | Open Energy Information

    Open Energy Info (EERE)

    to: navigation, search Name: Dedini Aucar e lcool Place: So Ja da Boa Vista, Sao Paulo, Brazil Zip: 13870 Product: Dedini Aucar e lcool is a local...

  8. REFlex | Open Energy Information

    Open Energy Info (EERE)

    Evaluating the Limits of Solar Photovoltaics (PV) in Electric Power Systems Utilizing Energy Storage and Other Enabling Technologies, NREL Report No. JA-6A2-453152 Logo:...

  9. 1

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    Administration Boulder, Colorado P. Ricchiazzi Institute for Computational Earth System Science University of California Santa Barbara, California J.A. Ogren and E. Dutton...

  10. Search for: All records | SciTech Connect

    Office of Scientific and Technical Information (OSTI)

    ... Zhirong ; Lee, Hae Ja ; Lemke, Henrik T. ; Robert, Aymeric ; Schlotter, William F. ; Turner, Joshua J. ; Williams, Garth J. March 2016 , American Physical Society ...

  11. EM-PDRI Manual

    Office of Environmental Management (EM)

    Corporation International Technology Corporation Jacobs Engineering Group, Inc. J.A. Jones Construction Co. The M.W. Kellogg Company Kiewit Construction Group, Inc. Litwin...

  12. 1

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    Measurement Science Team Meeting, Broomsfield, Colorado. Quinn, PK, TL Miller, TS Bates, JA Ogren, E Andrews, and GE Shaw. 2002. "A Three-Year Record of Simultaneously...

  13. Towards time-resolved serial crystallography in a microfluidic...

    Office of Scientific and Technical Information (OSTI)

    Henning, Robert ; Kosheleva, Irina ; Schmidt, Marius ; Ren, Zhong ; Kenis, Paul J.A. ; Perry, Sarah L. 1 ; UC) 2 ; Renz) 2 ; UIUC) 2 + Show Author Affiliations (UW) ( ...

  14. Microsoft Word - FY07AnnualReport.doc

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

    (EZ) 1 18,000,000 FRANCE (FR) 5 8,093,198 GABON (GB) 1 441,600 GAMBIA (GA) 1 49,300 GERMANY FEDERAL REPUBLIC OF (GE) 3 1,698,498 HUNGARY (HU) 1 4,000,000 KAZAKHSTAN (KZ) 3...

  15. A=07Li (66LA04)

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

    66LA04) (See Energy Level Diagrams for 7Li) GENERAL: See (HU57D, BA59K, BA59N, BR59M, FE59E, MA59E, MA59H, KU60A, PE60E, PH60A, SH60C, TA60L, BA61H, BA61N, BL61C, CL61D, KH61,...

  16. A=6Li (66LA04)

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

    66LA04) (See Energy Level Diagrams for 6Li) GENERAL: See Table 6.4 Table of Energy Levels (in PDF or PS). See also (AU55, LA55, ME56, FR57, HU57D, LE57F, PI58, BA59K, BR59M,...

  17. A=13N (70AJ04)

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

    70AJ04) (See Energy Level Diagrams for 13N) GENERAL: See Table 13.21 Table of Energy Levels (in PDF or PS). Model calculations:(LA55B, HU57D, BA59N, PH60A, TA60L, KU61A, KU61E,...

  18. Integrating Human Performance and Technology

    SciTech Connect (OSTI)

    Ronald K. Farris; Heather Medema

    2012-05-01

    Human error is a significant factor in the cause and/or complication of events that occur in the commercial nuclear industry. In recent years, great gains have been made using Human Performance (HU) tools focused on targeting individual behaviors. However, the cost of improving HU is growing and resistance to add yet another HU tool certainly exists, particularly for those tools that increase the paperwork for operations. Improvements in HU that are the result of leveraging existing technology, such as hand-held mobile technologies, have the potential to reduce human error in controlling system configurations, safety tag-outs, and other verifications. Operator rounds, valve line-up verifications, containment closure verifications, safety & equipment protection, and system tagging can be supported by field-deployable wireless technologies. These devices can also support the availability of critical component data in the main control room and other locations. This research pilot project reviewing wireless hand-held technology is part of the Light Water Reactor Sustainability Program (LWRSP), a research and development (R&D) program sponsored by the U. S. Department of Energy (DOE). The project is being performed in close collaboration with industry R&D programs to provide the technical foundations for licensing, and managing the long-term, safe, and economical operation of current nuclear power plants. The LWRSP vision is to develop technologies and other solutions that can improve the reliability, sustain the safety, and extend the life of the current nuclear reactor fleet.

  19. ENVIROISSUES PAGE

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    LOC.11 cnvironment Rick LE:aumont Local Government Meynard ?1hU1a Pam Laen RoDer Larson Jerry Peltier Jim Curdy Bob Parks Tribal GoVcmm9nt Russell Jim Patrick Sobotta P"blic...

  20. Revised Manuscript

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

    A68 (1955) 746 1955HU1B Hughes and Harvey, BNL-325 (1955) 1955JO1A Johnson and Porter, Phys. Rev. 99 (1955) 630A 1955KH31 L.M. Khromchenko and V.A. Blinov, Zh. Eksp. Teor....

  1. SMA Locations.pdf

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

    ... D RQ &D Q RQ ,QG LR &DQ RQ 1R UWK 3X HE OR &D Q RQ : D OQ X W & D Q R Q )LV K D GG HU &D Q RQ & D Q D G D % R Q LW D 6FK RR O &D QR Q UHD &DQR Q 8 S S H U 7Z R 0 LO ...

  2. A=14N (70AJ04)

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

    (See Energy Level Diagrams for 14N) GENERAL: See Table 14.7 Table of Energy Levels (in PDF or PS). Model calculations:(HU57D, BA59F, BR59M, OT59, SK59, PA60, TA60L, WA60, BA61D,...

  3. SU-E-T-599: The Variation of Hounsfield Unit and Relative Electron Density Determination as a Function of KVp and Its Effect On Dose Calculation Accuracy

    SciTech Connect (OSTI)

    Ohl, A; Boer, S De

    2014-06-01

    Purpose: To investigate the differences in relative electron density for different energy (kVp) settings and the effect that these differences have on dose calculations. Methods: A Nuclear Associates 76-430 Mini CT QC Phantom with materials of known relative electron densities was imaged by one multi-slice (16) and one single-slice computed tomography (CT) scanner. The Hounsfield unit (HU) was recorded for each material with energies ranging from 80 to 140 kVp and a representative relative electron density (RED) curve was created. A 5 cm thick inhomogeneity was created in the treatment planning system (TPS) image at a depth of 5 cm. The inhomogeneity was assigned HU for various materials for each kVp calibration curve. The dose was then calculated with the analytical anisotropic algorithm (AAA) at points within and below the inhomogeneity and compared using the 80 kVp beam as a baseline. Results: The differences in RED values as a function of kVp showed the largest variations of 580 and 547 HU for the Aluminum and Bone materials; the smallest differences of 0.6 and 3.0 HU were observed for the air and lung inhomogeneities. The corresponding dose calculations for the different RED values assigned to the 5 cm thick slab revealed the largest differences inside the aluminum and bone inhomogeneities of 2.2 to 6.4% and 4.3 to 7.0% respectively. The dose differences beyond these two inhomogeneities were between 0.4 to 1.6% for aluminum and 1.9 to 2.2 % for bone. For materials with lower HU the calculated dose differences were less than 1.0%. Conclusion: For high CT number materials the dose differences in the phantom calculation as high as 7.0% are significant. This result may indicate that implementing energy specific RED curves can increase dose calculation accuracy.

  4. SU-E-J-218: Evaluation of CT Images Created Using a New Metal Artifact Reduction Reconstruction Algorithm for Radiation Therapy Treatment Planning

    SciTech Connect (OSTI)

    Niemkiewicz, J; Palmiotti, A; Miner, M; Stunja, L; Bergene, J [Lehigh Valley Health Network, Allentown, PA (United States)

    2014-06-01

    Purpose: Metal in patients creates streak artifacts in CT images. When used for radiation treatment planning, these artifacts make it difficult to identify internal structures and affects radiation dose calculations, which depend on HU numbers for inhomogeneity correction. This work quantitatively evaluates a new metal artifact reduction (MAR) CT image reconstruction algorithm (GE Healthcare CT-0521-04.13-EN-US DOC1381483) when metal is present. Methods: A Gammex Model 467 Tissue Characterization phantom was used. CT images were taken of this phantom on a GE Optima580RT CT scanner with and without steel and titanium plugs using both the standard and MAR reconstruction algorithms. HU values were compared pixel by pixel to determine if the MAR algorithm altered the HUs of normal tissues when no metal is present, and to evaluate the effect of using the MAR algorithm when metal is present. Also, CT images of patients with internal metal objects using standard and MAR reconstruction algorithms were compared. Results: Comparing the standard and MAR reconstructed images of the phantom without metal, 95.0% of pixels were within 35 HU and 98.0% of pixels were within 85 HU. Also, the MAR reconstruction algorithm showed significant improvement in maintaining HUs of non-metallic regions in the images taken of the phantom with metal. HU Gamma analysis (2%, 2mm) of metal vs. non-metal phantom imaging using standard reconstruction resulted in an 84.8% pass rate compared to 96.6% for the MAR reconstructed images. CT images of patients with metal show significant artifact reduction when reconstructed with the MAR algorithm. Conclusion: CT imaging using the MAR reconstruction algorithm provides improved visualization of internal anatomy and more accurate HUs when metal is present compared to the standard reconstruction algorithm. MAR reconstructed CT images provide qualitative and quantitative improvements over current reconstruction algorithms, thus improving radiation treatment planning accuracy.

  5. A human monoclonal antibody derived from a vaccinated volunteer recognizes heterosubtypically a novel epitope on the hemagglutinin globular head of H1 and H9 influenza A viruses

    SciTech Connect (OSTI)

    Boonsathorn, Naphatsawan; Panthong, Sumolrat; Chittaganpitch, Malinee; Phuygun, Siripaporn; Waicharoen, Sunthareeya; Prachasupap, Apichai; Yasugi, Mayo; Ono, Ken-ichiro; and others

    2014-09-26

    Highlights: A human monoclonal antibody against influenza virus was produced from a volunteer. The antibody was generated from the PBMCs of the volunteer using the fusion method. The antibody neutralized heterosubtypically group 1 influenza A viruses (H1 and H9). The antibody targeted a novel epitope in globular head region of the hemagglutinin. Sequences of the identified epitope are highly conserved among H1 and H9 subtypes. - Abstract: Most neutralizing antibodies elicited during influenza virus infection or by vaccination have a narrow spectrum because they usually target variable epitopes in the globular head region of hemagglutinin (HA). In this study, we describe a human monoclonal antibody (HuMAb), 5D7, that was prepared from the peripheral blood lymphocytes of a vaccinated volunteer using the fusion method. The HuMAb heterosubtypically neutralizes group 1 influenza A viruses, including seasonal H1N1, 2009 pandemic H1N1 (H1N1pdm) and avian H9N2, with a strong hemagglutinin inhibition activity. Selection of an escape mutant showed that the HuMAb targets a novel conformational epitope that is located in the HA head region but is distinct from the receptor binding site. Furthermore, Phe114Ile substitution in the epitope made the HA unrecognizable by the HuMAb. Amino acid residues in the predicted epitope region are also highly conserved in the HAs of H1N1 and H9N2. The HuMAb reported here may be a potential candidate for the development of therapeutic/prophylactic antibodies against H1 and H9 influenza viruses.

  6. Sample-morphology effects on x-ray photoelectron peak intensities. II. Estimation of detection limits for thin-film materials

    SciTech Connect (OSTI)

    Powell, Cedric J.; Werner, Wolfgang S. M.; Smekal, Werner

    2014-09-01

    The authors show that the National Institute of Standards and Technology database for the simulation of electron spectra for surface analysis (SESSA) can be used to determine detection limits for thin-film materials such as a thin film on a substrate or buried at varying depths in another material for common x-ray photoelectron spectroscopy (XPS) measurement conditions. Illustrative simulations were made for a W film on or in a Ru matrix and for a Ru film on or in a W matrix. In the former case, the thickness of a W film at a given depth in the Ru matrix was varied so that the intensity of the W 4d{sub 5/2} peak was essentially the same as that for a homogeneous RuW{sub 0.001} alloy. Similarly, the thickness of a Ru film at a selected depth in the W matrix was varied so that the intensity of the Ru 3p{sub 3/2} peak matched that from a homogeneous WRu{sub 0.01} alloy. These film thicknesses correspond to the detection limits of each minor component for measurement conditions where the detection limits for a homogeneous sample varied between 0.1 at.?% (for the RuW{sub 0.001} alloy) and 1 at.?% (for the WRu{sub 0.01} alloy). SESSA can be similarly used to convert estimates of XPS detection limits for a minor species in a homogeneous solid to the corresponding XPS detection limits for that species as a thin film on or buried in the chosen solid.

  7. An Ab Initio Approach Towards Engineering Fischer-Tropsch Surface Chemistry

    SciTech Connect (OSTI)

    Matthew Neurock; Siddharth Chopra

    2003-09-11

    As the US seeks to develop an energy strategy that reduces the reliance on foreign oil, there is a renewed interest in the research and development of the Fischer Tropsch synthesis for converting syngas into long chain hydrocarbon products. This report investigates some of the basic elementary steps for Fischer-Tropsch synthesis over ideal Pt, Ru and carbon-covered Pt and Ru metal surfaces by using ab initio density functional theoretical calculations. We examine in detail the adsorption sites as well as the binding energies for C, CH, CH{sub 2}, CH3 and CH4 on Pt(111), Ru(0001), 2x2-C-Pt(111) and 2x2-C-Ru(0001). The results indicate that the binding energies increase with decreasing the hydrogen in the fragment molecule, i.e. CH{sub 4} < CH{sub 3} < CH{sub 2} < CH < C. More specifically the work analyzes the elementary steps involved in the activation of methane. This is simply the reverse set of steps necessary for the hydrogenation of C to CH{sub 4}. The results indicate that these hydrocarbon intermediates bind more strongly to Ru than Pt. The introduction of co-adsorbed carbon atoms onto both Ru(0001) as well as Pt(111) significantly increased the overall energies as well as the activation barriers for C-H bond activation. The results suggest that Ru may be so active that it initially can initially activate CH4 into CH or C but ultimately it dies because the CH and C intermediates poison the surface and thus kill its activity. Methane can dissociate on Pt but subsequent hydrocarbon coupling reactions act to remove the surface carbon.

  8. Revised Manuscript

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

    1 (1955) 986, 1008 1955HO1B Hornyak and Sherr, Phys. Rev. 100 (1955) 1409 1955JA18 D.B. James, W. Kubelka, S.A. Heiberg and J.B. Warren, Can. J. Phys. 33 (1955) 219 1955JA1D...

  9. Effects of Ar plasma treatment for deposition of ruthenium film by remote plasma atomic layer deposition

    SciTech Connect (OSTI)

    Park, Taeyong; Lee, Jaesang; Park, Jingyu; Jeon, Heeyoung; Jeon, Hyeongtag; Lee, Ki-Hoon; Cho, Byung-Chul; Kim, Moo-Sung; Ahn, Heui-Bok

    2012-01-15

    Ruthenium thin films were deposited on argon plasma-treated SiO{sub 2} and untreated SiO{sub 2} substrates by remote plasma atomic layer deposition using bis(ethylcyclopentadienyl)ruthenium [Ru(EtCp){sub 2}] as a Ru precursor and ammonia plasma as a reactant. The results of in situ Auger electron spectroscopy (AES) analysis indicate that the initial transient region of Ru deposition was decreased by Ar plasma treatment at 400 deg. C, but did not change significantly at 300 deg. C The deposition rate exhibited linearity after continuous film formation and the deposition rates were about 1.7 A/cycle and 0.4 A/cycle at 400 deg. C and 300 deg. C, respectively. Changes of surface energy and polar and dispersive components were measured by the sessile drop test. The quantity of surface amine groups was measured from the surface nitrogen concentration with AES. Furthermore, the Ar plasma-treated SiO{sub 2} contained more amine groups and less hydroxyl groups on the surface than on untreated SiO{sub 2}. Auger spectra exhibited chemical shifts by Ru-O bonding, and larger shifts were observed on untreated substrates due to the strong adhesion of Ru films.

  10. SULFUR REDUCTION IN GASOLINE AND DIESEL FUELS BY EXTRACTION/ADSORPTION OF REFRACTORY DIBENZOTHIOPHENES

    SciTech Connect (OSTI)

    Scott G. McKinley; Celedonio M. Alvarez

    2003-03-01

    The purpose of this study was to remove thiophene, benzothiophene and dibenzothiophene from a simulated gasoline feedstock. We found that Ru(NH{sub 3}){sub 5}(H{sub 2}O){sup 2+} reacts with a variety of thiophenes (Th*), affording Ru(NH{sub 3}){sub 5}(Th*){sup 2+}. We used this reactivity to design a biphasic extraction process that removes more than 50% of the dibenzothiophene in the simulated feedstock. This extraction system consists of a hydrocarbon phase (simulated petroleum feedstock) and extractant Ru(NH{sub 3}){sub 5}(H{sub 2}O){sup 2+} in an aqueous phase (70% dimethylformamide, 30% H{sub 2}O). The DBT is removed in situ from the newly formed Ru(NH{sub 3}){sub 5}(DBT){sup 2+} by either an oxidation process or addition of H{sub 2}O, to regenerate Ru(NH{sub 3}){sub 5}(H{sub 2}O){sup 2+}.

  11. Seed influence on the ferromagnetic resonance response of Co/Ni multilayers

    SciTech Connect (OSTI)

    Sabino, Maria Patricia Rouelli, E-mail: maria-sabino@dsi.a-star.edu.sg; Tran, Michael; Hin Sim, Cheow; Ji Feng, Ying; Eason, Kwaku [Data Storage Institute, Agency for Science, Technology and Research, 5 Engineering Drive 1, Singapore 117608 (Singapore)

    2014-05-07

    The effect of Pd and Ru seed layers on the magnetic properties of [Co/Ni]{sub N} multilayers with varying number of bilayer repeats N is investigated using vector network analyzer ferromagnetic resonance. The effective anisotropy field H{sub Keff} is found to increase with N for Ru seed, but decreases for Pd until N?=?15. As N is increased beyond 15, H{sub Keff} decreases for both seeds. In contrast, the damping parameter ? decreases with N regardless of the seed, showing a 1/N dependence. Taking spin pumping into account, the intrinsic damping ?{sub 0} for both Pd and Ru seeds reduce to ?{sub 0} ? 0.01. These results demonstrate that there can be a strong influence of the seed/Co interface on anisotropy, especially for sufficiently low N, but not necessarily on ?{sub 0}.

  12. Fragile structural transition in Mo3Sb7

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

    Yan, Jiaqiang -Q.; McGuire, Michael A; May, Andrew F; Parker, David S.; Mandrus, D. G.; Sales, Brian C.

    2015-08-10

    Mo3Sb7 single crystals lightly doped with Cr, Ru, or Te are studied in order to explore the interplay between superconductivity, magnetism, and the cubic-tetragonal structural transition. The structural transition at 53 K is extremely sensitive to Ru or Te substitution which introduces additional electrons, but robust against Cr substitution. We observed no sign of a structural transition in superconducting Mo2.91Ru0.09Sb7 and Mo3Sb6.975Te0.025. In contrast, 3 at.% Cr doping only slightly suppresses the structural transition to 48 K while leaving no trace of superconductivity above 1.8 K. Analysis of magnetic properties suggests that the interdimer interaction in Mo3Sb7 is near amorecritical value and essential for the structural transition. Futhermore, all dopants suppress the superconductivity of Mo3Sb7. The tetragonal structure is not necessary for superconductivity.less

  13. Giant switchable Rashba effect in oxide heterostructures

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

    Zhong, Zhicheng; Si, Liang; Zhang, Qinfang; Yin, Wei-Guo; Yunoki, Seiji; Held, Karsten

    2015-03-01

    One of the most fundamental phenomena and a reminder of the electron’s relativistic nature is the Rashba spin splitting for broken inversion symmetry. Usually this splitting is a tiny relativistic correction. Interfacing ferroelectric BaTiO₃ and a 5d (or 4d) transition metal oxide with a large spin-orbit coupling, Ba(Os,Ir,Ru)O₃, we show that giant Rashba spin splittings are indeed possible and even controllable by an external electric field. Based on density functional theory and a microscopic tight binding understanding, we conclude that the electric field is amplified and stored as a ferroelectric Ti-O distortion which, through the network of oxygen octahedra, inducesmore » a large (Os,Ir,Ru)-O distortion. The BaTiO₃/Ba(Os,Ru,Ir)O₃ heterostructure is hence the ideal test station for switching and studying the Rashba effect and allows applications at room temperature.« less

  14. Optimized capping layers for EUV multilayers

    DOE Patents [OSTI]

    Bajt, Sasa; Folta, James A.; Spiller, Eberhard A.

    2004-08-24

    A new capping multilayer structure for EUV-reflective Mo/Si multilayers consists of two layers: A top layer that protects the multilayer structure from the environment and a bottom layer that acts as a diffusion barrier between the top layer and the structure beneath. One embodiment combines a first layer of Ru with a second layer of B.sub.4 C. Another embodiment combines a first layer of Ru with a second layer of Mo. These embodiments have the additional advantage that the reflectivity is also enhanced. Ru has the best oxidation resistance of all materials investigated so far. B.sub.4 C is an excellent barrier against silicide formation while the silicide layer formed at the Si boundary is well controlled.

  15. Giant switchable Rashba effect in oxide heterostructures

    SciTech Connect (OSTI)

    Zhong, Zhicheng; Si, Liang; Zhang, Qinfang; Yin, Wei-Guo; Yunoki, Seiji; Held, Karsten

    2015-03-01

    One of the most fundamental phenomena and a reminder of the electrons relativistic nature is the Rashba spin splitting for broken inversion symmetry. Usually this splitting is a tiny relativistic correction. Interfacing ferroelectric BaTiO? and a 5d (or 4d) transition metal oxide with a large spin-orbit coupling, Ba(Os,Ir,Ru)O?, we show that giant Rashba spin splittings are indeed possible and even controllable by an external electric field. Based on density functional theory and a microscopic tight binding understanding, we conclude that the electric field is amplified and stored as a ferroelectric Ti-O distortion which, through the network of oxygen octahedra, induces a large (Os,Ir,Ru)-O distortion. The BaTiO?/Ba(Os,Ru,Ir)O? heterostructure is hence the ideal test station for switching and studying the Rashba effect and allows applications at room temperature.

  16. Buffer layers on metal alloy substrates for superconducting tapes

    DOE Patents [OSTI]

    Jia, Quanxi; Foltyn, Stephen R.; Arendt, Paul N.; Groves, James R.

    2004-10-05

    An article including a substrate, at least one intermediate layer upon the surface of the substrate, a layer of an oriented cubic oxide material having a rock-salt-like structure upon the at least one intermediate layer, and a layer of a SrRuO.sub.3 buffer material upon the oriented cubic oxide material layer is provided together with additional layers such as a HTS top-layer of YBCO directly upon the layer of a SrRuO.sub.3 buffer material layer. With a HTS top-layer of YBCO upon at least one layer of the SrRuO.sub.3 buffer material in such an article, J.sub.c 's of up to 1.3.times.10.sup.6 A/cm.sup.2 have been demonstrated with projected I.sub.c 's of over 200 Amperes across a sample 1 cm wide.

  17. SULFUR REDUCTION IN GASOLINE AND DIESEL FUELS BY EXTRACTION/ADSORPTION OF REFRACTORY DIBENZOTHIOPHENES

    SciTech Connect (OSTI)

    Robert J. Angelici; Scott G. McKinley; Celedonio Alvarez

    2001-10-01

    Using the classical coordination compound, Ru(NH{sub 3}){sub 5}(H{sub 2}O){sup 2+}, they have prepared a metal complex with a 4,6-dimenthyldibenzothiophene ligand. The compound Ru(NH{sub 3}){sub 5}(H{sub 2}O){sup 2+} also reacts with thiophene, benzothiophene and dibenzothiophene (DBT) at room temperature. They have found that Ru(NH{sub 3}){sub 5}(H{sub 2}O){sup 2+} removes over 50% of the DBT in simulated petroleum feedstocks by a biphasic extraction process. The extraction phase is readily generated by air-oxidation thereby completing a cyclic process that removes DBT from petroleum feedstocks.

  18. Platinum adlayered ruthenium nanoparticles, method for preparing, and uses thereof

    DOE Patents [OSTI]

    Tong, YuYe; Du, Bingchen

    2015-08-11

    A superior, industrially scalable one-pot ethylene glycol-based wet chemistry method to prepare platinum-adlayered ruthenium nanoparticles has been developed that offers an exquisite control of the platinum packing density of the adlayers and effectively prevents sintering of the nanoparticles during the deposition process. The wet chemistry based method for the controlled deposition of submonolayer platinum is advantageous in terms of processing and maximizing the use of platinum and can, in principle, be scaled up straightforwardly to an industrial level. The reactivity of the Pt(31)-Ru sample was about 150% higher than that of the industrial benchmark PtRu (1:1) alloy sample but with 3.5 times less platinum loading. Using the Pt(31)-Ru nanoparticles would lower the electrode material cost compared to using the industrial benchmark alloy nanoparticles for direct methanol fuel cell applications.

  19. Dendrimer-Encapsulated Ruthenium Nanoparticles as Catalysts for Lithium-O2 Batteries

    SciTech Connect (OSTI)

    Bhattacharya, Priyanka; Nasybulin, Eduard N.; Engelhard, Mark H.; Kovarik, Libor; Bowden, Mark E.; Li, Shari; Gaspar, Daniel J.; Xu, Wu; Zhang, Jiguang

    2014-12-01

    Dendrimer-encapsulated ruthenium nanoparticles (DEN-Ru) have been used as catalysts in lithium-O2 batteries for the first time. Results obtained from UV-vis spectroscopy, electron microscopy and X-ray photoelectron spectroscopy show that the nanoparticles synthesized by the dendrimer template method are ruthenium oxide instead of metallic ruthenium reported earlier by other groups. The DEN-Ru significantly improve the cycling stability of lithium (Li)-O2 batteries with carbon black electrodes and decrease the charging potential even at low catalyst loading. The monodispersity, porosity and large number of surface functionalities of the dendrimer template prevent the aggregation of the ruthenium nanoparticles making their entire surface area available for catalysis. The potential of using DEN-Ru as stand-alone cathode materials for Li-O2 batteries is also explored.

  20. When ruthenia met titania: Achieving extraordinary catalytic activity at low temperature by nanostructuring of oxides

    SciTech Connect (OSTI)

    Graciani, J.; Stacchiola, D.; Yang, F.; Evans, J.; Vidal, A. B.; Rodriguez, J. A.; Sanz, J. F.

    2015-09-09

    Nanostructured RuOx/TiO2(110) catalysts have a remarkable catalytic activity for CO oxidation at temperatures in the range of 350375 K. Furthermore, the RuO2(110) surface has no activity. The state-of-the-art DFT calculations indicate that the main reasons for such an impressive improvement in the catalytic activity are: (i) a decrease of the diffusion barrier of adsorbed O atoms by around 40%, from 1.07 eV in RuO2(110) to 0.66 eV in RuOx/TiO2(110), which explains the shift of the activity to lower temperatures and (ii) a lowering of the barrier by 20% for the association of adsorbed CO and O species to give CO2 (the main barrier for the CO oxidation reaction) passing from around 0.7 eV in RuO2(110) to 0.55 eV in RuOx/TiO2(110). We show that the catalytic properties of ruthenia are strongly modified when supported as nanostructures on titania, attaining higher activity at temperatures 100 K lower than that needed for pure ruthenia. As in other systems consisting of ceria nanostructures supported on titania, nanostructured ruthenia shows strongly modified properties compared to the pure oxide, consolidating the fact that the nanostructuring of oxides is a main way to attain higher catalytic activity at lower temperatures.

  1. When ruthenia met titania: Achieving extraordinary catalytic activity at low temperature by nanostructuring of oxides

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

    Graciani, J.; Stacchiola, D.; Yang, F.; Evans, J.; Vidal, A. B.; Rodriguez, J. A.; Sanz, J. F.

    2015-09-09

    Nanostructured RuOx/TiO2(110) catalysts have a remarkable catalytic activity for CO oxidation at temperatures in the range of 350–375 K. Furthermore, the RuO2(110) surface has no activity. The state-of-the-art DFT calculations indicate that the main reasons for such an impressive improvement in the catalytic activity are: (i) a decrease of the diffusion barrier of adsorbed O atoms by around 40%, from 1.07 eV in RuO2(110) to 0.66 eV in RuOx/TiO2(110), which explains the shift of the activity to lower temperatures and (ii) a lowering of the barrier by 20% for the association of adsorbed CO and O species to give CO2more » (the main barrier for the CO oxidation reaction) passing from around 0.7 eV in RuO2(110) to 0.55 eV in RuOx/TiO2(110). We show that the catalytic properties of ruthenia are strongly modified when supported as nanostructures on titania, attaining higher activity at temperatures 100 K lower than that needed for pure ruthenia. As in other systems consisting of ceria nanostructures supported on titania, nanostructured ruthenia shows strongly modified properties compared to the pure oxide, consolidating the fact that the nanostructuring of oxides is a main way to attain higher catalytic activity at lower temperatures.« less

  2. A study of Central Exclusive Production

    SciTech Connect (OSTI)

    Monk, James; /Manchester U.

    2008-09-01

    Central exclusive production of a system X in a collision between two hadrons h is defined as hh {yields} h + X + h with no other activity apart from the decay products of X. This thesis presents predictions for the production cross section of a CP violating supersymmetric Higgs boson and the radion of the Randall-Sundrum model. The ExHuME Monte Carlo generator was written to simulate central exclusive processes and is described and explored. A comparison to di-jet observations made by the D0 detector at the Tevatron, Fermilab between January and June 2004 is made and the distributions found support the predictions of ExHuME.

  3. Recent progress of magnetocaloric effect and magnetic refrigerant materials of Mn compounds (invited)

    SciTech Connect (OSTI)

    Wada, H. Takahara, T.; Katagiri, K.; Ohnishi, T.; Soejima, K.; Yamashita, K.

    2015-05-07

    Magnetocaloric and related properties of Ru and Ni substituted (MnFe){sub 2}(PSi) are presented. It is found that Ru and Ni are effective doping elements to reduce the thermal hysteresis of (MnFe){sub 2}(PSi). The origin of the thermal hysteresis is discussed on the basis of a thermodynamic model. It is shown that the elastic energy is responsible for the thermal hysteresis. We also show recent developments of the production process of Mn compounds in an industrial scale.

  4. NERSC-ScienceHighlightsJan2013.ppt

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

    January 2013 NERSC Science Highlights --- 1 --- NERSC User Science Highlights Math AMR method allows pore- scale modeling of carbon sequestration effects at unprecedented scale (D. Trebotich, LBNL) Climate Study sheds light on question of how well climate change mitigation might defer sea level rise (A. Hu, NCAR) Chemistry New method affords molecular- level insight into process responsible for lithium battery failure (T. Miller, Caltech) Materials Computation helps elucidate mechanism of

  5. Fall 2007 American Geophysical Union Meeting Student Travel Support for Environmental Nanomaterials Session (#B35) (December 10-14, 2007)

    SciTech Connect (OSTI)

    Michael F. Hochella, Jr.

    2007-10-01

    The purpose of award no. DE-FG02-08ER15925 was to fund travel for students to present at the Fall 2007 American Geophysical Meeting. This was done successfully, and five students (Bin Xie, Qiaona Hu, Katie Schreiner, Daria Kibanova, and Frank-Andreas Weber) gave excellent oral and poster presentations at the meeting. Provided are the conference abstracts for their presentations.

  6. U.S. DEPARTMENT OF ENERGY

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

    MAY 2010 AMERICAN REINVESTMENT RECOVERY ACT COMMUNITY REINVESTMENT ACT UNITED STATES DISTRICT: S.E. MICHIGAN EJECT: Federal Energy Regutatory Cammfsslon Loin Program PLEASE TAKE NO TICE ... Recent federal legisla0at hu been enacted regarding the distribution of funds to residendil homeo wners with rapid to energy wneeniatbn. These recent changes are prvvlding immediate bene(b to the residential homeowner. OFFICIAL NOTICE. FEDERAL ENERGY HOME IMPROVEMEN T LOANS AVAILABLE rN*OWV FOR HOMEOWNER .9

  7. SU-E-J-190: Characterization of Radiation Induced CT Number Changes in Tumor and Normal Lung During Radiation Therapy for Lung Cancer

    SciTech Connect (OSTI)

    Yang, C; Liu, F; Tai, A; Gore, E; Johnstone, C; Li, X

    2014-06-01

    Purpose: To measure CT number (CTN) changes in tumor and normal lung as a function of radiation therapy (RT) dose during the course of RT delivery for lung cancer using daily IGRT CT images and single respiration phase CT images. Methods: 4D CT acquired during planning simulation and daily 3D CT acquired during daily IGRT for 10 lung cancer cases randomly selected in terms of age, caner type and stage, were analyzed using an in-house developed software tool. All patients were treated in 2 Gy fractions to primary tumors and involved nodal regions. Regions enclosed by a series of isodose surfaces in normal lung were delineated. The obtained contours along with target contours (GTVs) were populated to each singlephase planning CT and daily CT. CTN in term of Hounsfield Unit (HU) of each voxel in these delineated regions were collectively analyzed using histogram, mean, mode and linear correlation. Results: Respiration induced normal lung CTN change, as analyzed from single-phase planning CTs, ranged from 9 to 23 (2) HU for the patients studied. Normal lung CTN change was as large as 50 (12) HU over the entire treatment course, was dose and patient dependent and was measurable with dose changes as low as 1.5 Gy. For patients with obvious tumor volume regression, CTN within the GTV drops monotonically as much as 10 (1) HU during the early fractions with a total dose of 20 Gy delivered. The GTV and CTN reductions are significantly correlated with correlation coefficient >0.95. Conclusion: Significant RT dose induced CTN changes in lung tissue and tumor region can be observed during even the early phase of RT delivery, and may potentially be used for early prediction of radiation response. Single respiration phase CT images have dramatically reduced statistical noise in ROIs, making daily dose response evaluation possible.

  8. PLZT film capacitors for power electronics and energy storage applications

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

    | Argonne National Laboratory PLZT film capacitors for power electronics and energy storage applications Title PLZT film capacitors for power electronics and energy storage applications Publication Type Journal Article Year of Publication 2015 Authors Ma, B, Hu, Z, Koritala, RE, Lee, TH, Dorris, SE, Balachandran, U Journal Journal of Materials Science: Materials in Electronics Start Page 1 Date Published 04102015 Abstract Ceramic film capacitors with high dielectric constant and high

  9. Research Highlight

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

    Higher Clouds Retain Less Energy Download a printable PDF Submitter: Bhattacharya, A., Pacific Northwest National Laboratory Area of Research: Cloud Distributions/Characterizations Working Group(s): Cloud Life Cycle Journal Reference: Qiu Y, Q Wang, and F Hu. 2012. "Shouxian aerosol radiative properties measured by DOE AMF and compared with CERES-MODIS." Advanced Materials Research, 518-523(2), doi:10.4028/www.scientific.net/AMR.518-523.1973. Clouds with bases at different altitudes.

  10. Microsoft Word - Information_Commodity5

    Gasoline and Diesel Fuel Update (EIA)

    Futures Prices  Conghui Hu † and Wei Xiong ‡ May 2013 Abstract This paper analyzes information flow between commodity futures prices traded in the United States and stock prices of East Asian economies including China, Japan, Hong Kong, South Korea, and Taiwan. We find significantly positive stock price reactions across all these stock markets and across a broad range of industries to the lagged overnight futures returns of copper and soybeans, albeit not crude oil, after mid-2000s. Our

  11. PowerPoint Presentation

    Gasoline and Diesel Fuel Update (EIA)

    Futures Prices Conghui Hu, Peking University Wei Xiong, Princeton University EIA Financial and Oil Market Linkage Workshop September 23, 2013 Synchronized Boom and Bust of Commodity Prices * Supply shocks, demand shocks, or speculative shocks? 2 Informational Frictions in Commodity Markets Participants face severe information frictions * supply and demand from all over the world * scant data from emerging economies * recent concerns about manipulated information on inventory From a conceptual

  12. Principal component analysis of proteomics (PCAP) as a tool to direct

    Office of Scientific and Technical Information (OSTI)

    metabolic engineering (Journal Article) | SciTech Connect Journal Article: Principal component analysis of proteomics (PCAP) as a tool to direct metabolic engineering Citation Details In-Document Search Title: Principal component analysis of proteomics (PCAP) as a tool to direct metabolic engineering Authors: Alonso-Gutierrez, Jorge ; Kim, Eun-Mi ; Batth, Tanveer S. ; Cho, Nathan ; Hu, Qijun ; Chan, Leanne Jade G. ; Petzold, Christopher J. ; Hillson, Nathan J. ; Adams, Paul D. ; Keasling,

  13. A GPU-based Calculation Method for Near Field Effects of Cherenkov

    Office of Scientific and Technical Information (OSTI)

    Radiation Induced by Ultra High Energy Cosmic Neutrinos (Conference) | SciTech Connect SciTech Connect Search Results Conference: A GPU-based Calculation Method for Near Field Effects of Cherenkov Radiation Induced by Ultra High Energy Cosmic Neutrinos Citation Details In-Document Search Title: A GPU-based Calculation Method for Near Field Effects of Cherenkov Radiation Induced by Ultra High Energy Cosmic Neutrinos Authors: Hu, Chia-Yu ; Chen, Chih-Ching ; /Taiwan, Natl. Taiwan U. ; Chen,

  14. Additional capacities seen in metal oxide lithium-ion battery electrodes

    Office of Scientific and Technical Information (OSTI)

    (Journal Article) | SciTech Connect SciTech Connect Search Results Journal Article: Additional capacities seen in metal oxide lithium-ion battery electrodes Citation Details In-Document Search Title: Additional capacities seen in metal oxide lithium-ion battery electrodes Authors: Hu, Yan-Yan ; Liu, Zigeng ; Nam, Kyung-Wan ; Borkiewicz, Olaf ; Cheng, Jun ; Hua, Xiao ; Dunstan, Matthew ; Yu, Xiqian ; Wiaderek, Kamila ; Du, Lin-Shu ; Chapman, Karena W. ; Chupas, Peter J. ; Yang, Xiao-Qing ;

  15. Enhancing the Sensitivity of Label-free Silicon Photonic Biosensors through

    Office of Scientific and Technical Information (OSTI)

    Increased Probe Molecule Density (Journal Article) | SciTech Connect Enhancing the Sensitivity of Label-free Silicon Photonic Biosensors through Increased Probe Molecule Density Citation Details In-Document Search Title: Enhancing the Sensitivity of Label-free Silicon Photonic Biosensors through Increased Probe Molecule Density Authors: Hu, Shuren [1] ; Quin, K. [1] ; Retterer, Scott T [2] ; Kravchenko, Ivan I [2] ; Weiss, Sharon [1] + Show Author Affiliations Vanderbilt University,

  16. First-principles opacity table of warm dense deuterium for

    Office of Scientific and Technical Information (OSTI)

    inertial-confinement-fusion applications (Journal Article) | SciTech Connect First-principles opacity table of warm dense deuterium for inertial-confinement-fusion applications Citation Details In-Document Search Title: First-principles opacity table of warm dense deuterium for inertial-confinement-fusion applications Authors: Hu, S. X. ; Collins, L. A. ; Goncharov, V. N. ; Boehly, T. R. ; Epstein, R. ; McCrory, R. L. ; Skupsky, S. Publication Date: 2014-09-23 OSTI Identifier: 1180259

  17. Impact of the N-Terminal Domain of STAT3 in STAT3-Dependent Transcriptional

    Office of Scientific and Technical Information (OSTI)

    Activity (Journal Article) | SciTech Connect Impact of the N-Terminal Domain of STAT3 in STAT3-Dependent Transcriptional Activity Citation Details In-Document Search Title: Impact of the N-Terminal Domain of STAT3 in STAT3-Dependent Transcriptional Activity Authors: Hu, Tiancen ; Yeh, Jennifer E. ; Pinello, Luca ; Jacob, Jaison ; Chakravarthy, Srinivas ; Yuan, Guo-Cheng ; Chopra, Rajiv ; Frank, David A. [1] ; DFCI) [2] ; Harvard) [2] ; IIT) [2] ; BWH) [2] + Show Author Affiliations

  18. Insights into Autoregulation of Notch3 from Structural and Functional

    Office of Scientific and Technical Information (OSTI)

    Studies of Its Negative Regulatory Region (Journal Article) | SciTech Connect SciTech Connect Search Results Journal Article: Insights into Autoregulation of Notch3 from Structural and Functional Studies of Its Negative Regulatory Region Citation Details In-Document Search Title: Insights into Autoregulation of Notch3 from Structural and Functional Studies of Its Negative Regulatory Region Authors: Xu, Xiang ; Choi, Sung Hee ; Hu, Tiancen ; Tiyanont, Kittichoat ; Habets, Roger ; Groot, Arjan

  19. Chemically Bonded Phosphorus/Graphene Hybrid as a High Performance Anode

    Office of Scientific and Technical Information (OSTI)

    for Sodium-Ion Batteries (Journal Article) | SciTech Connect Authors: Song, Jiangxuan ; Yu, Zhaoxin ; Gordin, Mikhail L. ; Hu, Shi ; Yi, Ran ; Tang, Duihai ; Walter, Timothy ; Regula, Michael ; Choi, Daiwon ; Li, Xiaolin ; Manivannan, Ayyakkannu ; Wang, Donghai Publication Date: 2014-11-12 OSTI Identifier: 1185112 Report Number(s): A-UNIV-PUB-111 Journal ID: ISSN 1530-6984 DOE Contract Number: 57558 Resource Type: Journal Article Resource Relation: Journal Name: Nano Letters; Journal Volume:

  20. Poster Thur Eve 62: A Retrospective Assessment of the Prevalence and Dosimetric Effect of Lateral Electron Disequilibrium in a Population of Lung Cancer Patients Treated by Stereotactic Body Radiation Therapy

    SciTech Connect (OSTI)

    Disher, Brandon; Wade, Laura; Hajdok, George; Gaede, Stewart; Battista, Jerry J.; Palma, David

    2014-08-15

    Stereotactic Body Radiation Therapy (SBRT) is a treatment option for early stage non-small cell lung cancer (NSCLC). SBRT uses tightly conformed megavoltage (MV) x-ray beams to ablate the tumour. However, small MV x-ray fields may produce lateral electron disequilibrium (LED) within lung tissue, which can reduce the dose to tumour. The goal of this work is to estimate the prevalence of LED in NSCLC patients treated with SBRT, and determine dose effects for patients prone or averse to LED. Thirty NSCLC patients were randomly selected for analysis. 4-dimensional CT lung images were segmented into the right and left upper and lower lobes (RUL, RLL, LUL, LLL), and the right middle lobe. Dose calculations were performed using volume-modulated arc therapy in the Pinnacle{sup 3} TPS. Most tumours were located in the upper lobes (RUL 53%, LUL 27%) where density was significantly lower (RUL ?80846 HU vs. RLL ?74371 HU; LUL ?808 56 HU vs. LLL ?74670 HU; p<0.001). In general, the prevalence of LED increased with higher beam energy. Using 6MV photons, patients with a RUL tumour experienced moderate (81 %), and mild (19%) levels of LED. At 18MV, LED became more prominent with severe (50%) and moderate (50%) LED exhibited. Dosimetrically, for patients prone to LED, poorer target coverage (i.e. increased R100 by 20%) and improved lung sparing (i.e. reduced V20 by ?46%) was observed. The common location of lung cancers in the upper lobes, coupled with lower lung density, results in the potential occurrence of LED, which may underdose the tumour.

  1. Advanced Membrane Separations to Improve Efficiency of Thermochemical Conversion Presentation for BETO 2015 Project Peer Review

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

    2015 Project Peer Review Advanced Membrane Separations to Improve Efficiency of Thermochemical Conversion March 24, 2015 Technology Area Review Oak Ridge National Laboratory (ORNL) National Renewable Energy Laboratory (NREL) Project Team: Michael Hu Brian Bischoff Chaiwat Engtrakul Mark Davis High Performance Architectured Surface-Selective (HiPAS) 2 Presentation name Goal Statement This project seeks to develop & employ a new class of HiPAS membranes, to improve the efficiency of bio-oil

  2. Center for Nanophase Materials Sciences (CNMS) - CNMS User Research

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

    Spin injection in conjugated polymer for enhanced solid-state lighting efficiency Bin Hu and Yue Wu (CNMS users), University of Tennessee; An-Ping Li and Jian Shen (CNMS Staff), and Jane Howe (ORNL) Achievement In this work, we have explored the introduction of spin polarization in p-conjugated polymer MEHPPV [Poly(2-methoxy-5-(2'-methylhexyloxy)-1,4 phenylenevinylene] by using spin injection from ferromagnetic materials. The approach uses thermal deposition to prepare Co nanodots on polymer

  3. CASL-U-2015-0087-000 Dakota, A Multilevel Parallel Object-Oriented Framework

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

    7-000 Dakota, A Multilevel Parallel Object-Oriented Framework for Design Optimization, Parameter Estimation, Uncertainty Quantification, and Sensitivity Analysis: Version 6.1 User's Manual Brian M. Adams Mohamed S. Ebeida Michael S. Eldred John D. Jakeman Laura P. Swiler J. Adam Stephens Dena M. Vigil Timothy M. Wildey William J. Bohnhoff Keith R. Dalbey John P. Eddy Kenneth T. Hu Lara E. Bauman Patricia D. Hough Sandia National Laboratory November 7, 2014 SAND2014-4633 Unlimited Release July

  4. Search for: All records | SciTech Connect

    Office of Scientific and Technical Information (OSTI)

    Hu, Xuefei" Name Name ORCID Search Authors Type: All Book/Monograph Conference/Event Journal Article Miscellaneous Patent Program Document Software Manual Technical Report Thesis/Dissertation Subject: Identifier Numbers: Site: All Alaska Power Administration, Juneau, Alaska (United States) Albany Research Center (ARC), Albany, OR (United States) Albuquerque Complex - NNSA Albuquerque Operations Office, Albuquerque, NM (United States) Amarillo National Resource Center for Plutonium,

  5. Search for: All records | SciTech Connect

    Office of Scientific and Technical Information (OSTI)

    Hu, Yan-Yan" Name Name ORCID Search Authors Type: All Book/Monograph Conference/Event Journal Article Miscellaneous Patent Program Document Software Manual Technical Report Thesis/Dissertation Subject: Identifier Numbers: Site: All Alaska Power Administration, Juneau, Alaska (United States) Albany Research Center (ARC), Albany, OR (United States) Albuquerque Complex - NNSA Albuquerque Operations Office, Albuquerque, NM (United States) Amarillo National Resource Center for Plutonium,

  6. Search for: All records | SciTech Connect

    Office of Scientific and Technical Information (OSTI)

    Hu, Tiancen" Name Name ORCID Search Authors Type: All Book/Monograph Conference/Event Journal Article Miscellaneous Patent Program Document Software Manual Technical Report Thesis/Dissertation Subject: Identifier Numbers: Site: All Alaska Power Administration, Juneau, Alaska (United States) Albany Research Center (ARC), Albany, OR (United States) Albuquerque Complex - NNSA Albuquerque Operations Office, Albuquerque, NM (United States) Amarillo National Resource Center for Plutonium,

  7. Slide 1

    Energy Savers [EERE]

    Computer-Based Procedures Johanna Oxstrand/Katya Le Blanc Idaho National Laboratory September 16-18, 2014 2 Project Overview  Goals and Objectives  Define design requirements for computer-based procedures (CBPs) to ensure improvement.  Evaluate how to streamline and distill the information in the paper-based procedure and to utilize the advantages of dynamic presentation to: - Increase efficiency, - Improve the ease of use, and - Reduce opportunities for errors. - Incorporate HU Tools

  8. THE WHITE HOUSE

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

    November 17, 2009 FACT SHEET: U.S.-China Clean Energy Research Center President Barack Obama and President Hu Jintao today announced the establishment of the U.S.-China Clean Energy Research Center. The Protocol formally establishing the Center was signed at ceremonies in Beijing by U.S. Energy Secretary Steven Chu, Chinese Minister of Science and Technology Wan Gang, and Chinese National Energy Agency Administrator Zhang Guobao The U.S.-China Clean Energy Research Center will facilitate joint

  9. THE WHITE HOUSE

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

    Energy Efficiency Action Plan Today, President Barack Obama and President Hu Jintao announced the launch of a new U.S.-China Energy Efficiency Action Plan to strengthen the economy, improve energy security and combat climate change by reducing energy waste in both countries. The United States and China consume over 40 percent of global energy resources, costing businesses and households in the two countries roughly $1.5 trillion per year. Working together to improve energy efficiency in

  10. THE WHITE HOUSE

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

    Electric Vehicles Initiative Today, President Barack Obama and President Hu Jintao announced the launch of a U.S.-China Electric Vehicles Initiative. The two leaders emphasized their countries' strong shared interest in accelerating the deployment of electric vehicles in order to reduce oil dependence, cut greenhouse gas emissions and promote economic growth. Activities under the initiative will include: * Joint standards development. The two countries will explore development of joint product

  11. THE WHITE HOUSE

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

    Renewable Energy Partnership Today, President Barack Obama and President Hu Jintao announced the launch of a new U.S.-China Renewable Energy Partnership.. Both Presidents embraced a vision of wide-scale deployment of renewable energy including wind, solar and advanced bio- fuels, with a modern electric grid, and agreed to work together to make that vision possible. The two Presidents recognized that, given the combined market size of the U.S. and China, accelerated deployment of renewable energy

  12. THE WHITE HOUSE

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

    Shale Gas Resource Initiative Today, President Barack Obama and President Hu Jintao announced the launch of a new U.S.-China Shale Gas Resource Initiative. This Initiative will help reduce greenhouse gas emissions, promote energy security and create commercial opportunities for U.S. companies through:  Shale gas resource assessment: The Initiative will use experience gained in the United States to assess China's shale gas potential and promote environmentally sustainable development of shale

  13. U.S.-China Clean Energy Announcements | Department of Energy

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

    -China Clean Energy Announcements U.S.-China Clean Energy Announcements November 17, 2009 - 12:00am Addthis Beijing, China - Today, President Barack Obama and President Hu Jintao announced a far-reaching package of measures to strengthen cooperation between the United States and China on clean energy. Please see the attached fact sheets for additional details on each of the U.S-China clean energy announcements. 1. U.S.-China Clean Energy Research Center. The two Presidents announced the

  14. ARM - Publications: Science Team Meeting Documents

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

    Cloud Characteristics and Components of the Surface Heat Budget Curry, J.A., and Webster, P.J., University of Colorado; Clayson, C.A., Purdue University Eighth Atmospheric...

  15. Sandia Energy - Molecular Geochemistry

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

    properties for desalination and purification applications. Report SAND2008-5729, Sandia National Laboratories. DOWNLOAD PDF HERE J.A. Greathouse, M.D. Allendorf, and J.C. Sanders...

  16. UNIRIB Publications: 2007 Bibliography

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

    J.H. Hamilton, J.K. Hwang, S. Ilyushkin, A. Korgul, W. Krolas, K. Li, R.D. Page, D. Simpson and J.A. Winger, Phys. Rev. Lett. 98, 212501 (2007) ConferencesMeetings Development...

  17. Search for: All records | SciTech Connect

    Office of Scientific and Technical Information (OSTI)

    Ferguson, CR (1) Gentine, P (1) Santanello, JA (1) Save Results Save this search to My Library Excel (limit 2000) CSV (limit 5000) XML (limit 5000) Have feedback or suggestions for ...

  18. "Title","Creator/Author","Publication Date","OSTI Identifier...

    Office of Scientific and Technical Information (OSTI)

    based design for radioactive material transport packagings -- Historical review","Smith, J.A.; Salzbrenner, D.; Sorenson, K.; McConnell, P.","1998-04-01T05:00:00Z",654001,"10...

  19. Core Holes At Valles Caldera - Sulphur Springs Geothermal Area...

    Open Energy Info (EERE)

    Dennis L. Nielson, Pisto Larry, C.W. Criswell, R. Gribble, K. Meeker, J.A. Musgrave, T. Smith, D. Wilson (1989) Scientific Core Hole Valles Caldera No. 2B (VC-2B), New Mexico:...

  20. Scientific Core Hole Valles Caldera No. 2B (VC-2B), New Mexico...

    Open Energy Info (EERE)

    Dennis L. Nielson, Pisto Larry, C.W. Criswell, R. Gribble, K. Meeker, J.A. Musgrave, T. Smith and D. Wilson Conference GRC Annual Meeting; Santa Rosa, CA; 19890101 Published...

  1. UNIRIB Publications: 2013 Bibliography

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

    S.V. Paulauskas, A.V. Ramayya, J.A. Winger, M. Wolinska-Cichock and E.F. Zganjar, Phys. Rev. Lett. 109, 112501 (2012) Low-lying collective states in 120Cd populated by...

  2. Decreasing transmembrane segment length greatly decreases perfringolys...

    Office of Scientific and Technical Information (OSTI)

    Date: 2015-04-08 OSTI Identifier: 1215609 Report Number(s): BNL--108347-2015-JA Journal ID: ISSN 0022-2631; 400412000 GrantContract Number: SC00112704 Type: Accepted...

  3. The pilus usher controls protein interactions via domain masking...

    Office of Scientific and Technical Information (OSTI)

    Date: 2015-06-08 OSTI Identifier: 1215608 Report Number(s): BNL--108346-2015-JA Journal ID: ISSN 1545-9993; 600301010 GrantContract Number: SC00112704 Type: Accepted...

  4. Crystallization, Preliminary X-ray Diffraction and Structure...

    Office of Scientific and Technical Information (OSTI)

    ; Phenix, C. ; Puttick, J. ; Nienaber, K. ; Palmer, D. ; Delbaere, L. Publication Date: 2006-01-01 OSTI Identifier: 914082 Report Number(s): BNL--78650-2007-JA TRN: US0801528 DOE...

  5. ATTACHMENT J

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

    Contract No. DE-AC02-07CH11358 Contract Modification No. 0145 Section J, Appendix A J-A-1 ATTACHMENT J.1 APPENDIX A ADVANCE UNDERSTANDINGS ON HUMAN RESOURCES Applicable to the...

  6. An Overview of Hydrothermal Alteration and Vein Mineralization...

    Open Energy Info (EERE)

    Jamie N. Gardner, Fraser E. Goff, Dennis L. Nielson, M. Lemieux, P. Snow, K. Meeker, J.A. Musgrave and J. Moore Conference IAVCEI General Assembly; Santa Fe, NM; 06251989...

  7. The Design, Construction, and Operation of Long-Distance High...

    Open Energy Info (EERE)

    potential a description of environmental issues, photographs, maps, and links. Authors J.C. Molburg, J.A. Kavicky and and K.C. Picel Organization Argonne National Laboratory...

  8. Characterization of geothermal reservoir crack patterns using...

    Open Energy Info (EERE)

    the time delays of the split waves they determined tomographically the 3-D fracture density distribution in the reservoir. Authors Lou, M.; Rial and J.A. Published Journal...

  9. Micro-Earthquake At Coso Geothermal Area (2002-2005) | Open Energy...

    Open Energy Info (EERE)

    reservoir crack characterization: the Coso geothermal field Rial, J.A.; Elkibbi, M.; Yang, M. (1 January 2005) Shear-wave splitting as a tool for the characterization of...

  10. Shear-wave splitting as a tool for the characterization of geothermal...

    Open Energy Info (EERE)

    extensions, from nearly a decade of practice. Authors Rial, J.A.; Elkibbi, M.; Yang and M. Published Journal Geothermics, 112005 DOI http:dx.doi.org10.1016...

  11. A=5He (1984AJ01)

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

    84AJ01) (See Energy Level Diagrams for 5He) GENERAL: See also (1979AJ01) and Table 5.1 Table of Energy Levels (in PDF or PS) here. Model calculations:(1978RE1A, 1979JA31,...

  12. A=5He (1979AJ01)

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

    9AJ01) (See Energy Level Diagrams for 5He) GENERAL: See also (1974AJ01) and Table 5.1 Table of Energy Levels (in PDF or PS) here. Model calculations: (1974JA30, 1974LE22,...

  13. A=5He (1988AJ01)

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

    8AJ01) (See Energy Level Diagrams for 5He) GENERAL: See also (1984AJ01) and Table 5.1 Table of Energy Levels (in PDF or PS) here. Model discussions: (1983JA09, 1984VA06,...

  14. Research Highlight

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

    Cloud Properties Journal Reference: Ou SS, KN Liou, XJ Wang, A Dybdahl, M Mussetto, LD Carey, J Niu, JA Kankiewicz, S Kidder, and TH Von der Haar. 2009. "Retrievals of mixed-phase...

  15. ARM - Publications: Science Team Meeting Documents

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

    J.(a), Sekelsky, S.M.(a), Tooman, T.T.(b), and Bolton, W.B.(b), University of Massachusetts at Amherst (a), Sandia National Laboratories (b) Thirteenth Atmospheric Radiation...

  16. The Sloan Digital Sky Survey Monitor Telescope Pipeline (Journal...

    Office of Scientific and Technical Information (OSTI)

    No abstract prepared. Authors: Tucker, Douglas L. ; Kent, S. ; Richmond, M.W. ; Annis, J. ; Smith, J.A. ; Allam, S.S. ; Rodgers, C.T. ; Stute, J.L. ; Adelman-McCarthy, Jennifer K....

  17. The Sloan Digital Sky Survey Monitor Telescope Pipeline (Journal...

    Office of Scientific and Technical Information (OSTI)

    Authors: Tucker, D.L. ; Kent, S. ; Richmond, M.W. ; Annis, J. ; Smith, J.A. ; Allam, S.S. ; Rodgers, C.T. ; Stute, J.L. ; Adelman-McCarthy, Jennifer K. ; Brinkmann, J. ; Doi, M. ;...

  18. Competing charge, spin, and superconducting orders in underdoped...

    Office of Scientific and Technical Information (OSTI)

    M. ; Hayden, S. M. ; Chang, J. Publication Date: 2014-08-01 OSTI Identifier: 1178217 Report Number(s): BNL--106215-2014-JA R&D Project: PO010; KC0201060 DOE Contract Number:...

  19. ARM - Publications: Science Team Meeting Documents

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

    of the Arctic Low-level Clouds Girard, E., Cooperative Institute for Research in Environmental Sciences; Blanchet, J.-P., University of Quebec at Montreal; Curry, J.A.,...

  20. Papers and Reports

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

    2. Modeling,J. Geophys. Res. Space Physics, 118, 6166-6175, doi:10.10022013JA018943. Wang, C.-P., C. Yue, S. Zaharia, X. Xing, L. Lyons, V. Angelopoulos, T. Nagai, and T. Lui...

  1. A=9Be (66LA04)

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

    excited state is 4 times less (HO61G: see also (JA57)). Angular distributions for both groups show maxima in the forward hemisphere. It is suggested that the large cross section...

  2. A=11B (1980AJ01)

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

    of Energy Levels (in PDF or PS). Shell model: (1977BO07, 1977JA14, 1977TE01, 1978BO31). Cluster, collective and rotational models: (1976BR26, 1977BO07, 1977NI1A, 1977OK1C,...

  3. A=10Be (1979AJ01)

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

    and Table 10.1 Table of Energy Levels (in PDF or PS). Shell model: (1977JA14). Cluster and -particle models: (1977SE1D). Special levels: (1974IR04, 1976IR1B,...

  4. Revised Manuscript

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

    24 (1961) 505 77 1961JA23 A. Jaidar, G. Lopez, M. Mazari and R. Dominguez, Rev. Mex. Fisica 10 (1961) 247 1961JO14 W.P. Johnson and D.W. Miller, Phys. Rev. 124 (1961) 1190...

  5. Revised Manuscript

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

    25 (1961) 443 1961JA23 A. Jaidar, G. Lopez, M. Mazari and R. Dominguez, Rev. Mex. Fisica 10 (1961) 247 1961JO07 R.G. Johnson, L.F. Chase, Jr. and F.J. Vaughn, Bull. Amer....

  6. Revised Manuscript

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

    25 (1961) 282 1961JA23 A. Jaidar, G. Lopez, M. Mazari and R. Dominguez, Rev. Mex. Fisica 10 (1961) 247 1961KO08 J. Kokame, J. Phys. Soc. Jpn. 16 (1961) 2101 1961KO1A Koltun,...

  7. NREL Photoelectrode Research Advances Hydrogen Production Efforts...

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

    catalysts. Technical Contacts: Jing Gu, Jing.Gu@nrel.gov; John Turner, John.Turner@nrel.gov Reference: Gu, J.; Y. Yan; J.L. Young; K. Steirer; N.R. Neale; J.A. Turner....

  8. Research Highlight

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

    Journal Reference: Ehn M, JA Thornton, E Kleist, M Sipila, H Junninen, I Pullinen, M Springer, F Rubach, R Tillmann, B Lee, F Lopez-Hilfiker, S Andres, I Acir, M Rissanen, T...

  9. ARM - Publications: Science Team Meeting Documents

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

    Using GFS Weather Model to Reduce Diurnal Differences Between GPS PW and ARM MWR PW Van Hove, T.(a), Liljegren, J.C.(b), Rocken, C.(a), and Braun, J.(a), University Corporation for...

  10. Sandia National Laboratories: NMR Spectroscopy Facility: Homepage

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

    10.1021ja308673f Todd M. Alam, Zuolei Liao, Lev N. Zacharov, May Nyman, "Solid-State Dynamics of Uranyl Polyoxometalates", Chemistry, A. Eur. J., 20(27), 8302-8307...

  11. Rami Hourani | Center for Gas SeparationsRelevant to Clean Energy...

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

    J. Am. Chem. Soc., 133, 15296-15299 (2011). 10.1021ja2063082 Xu, Ting; Zhao, Nana; Ren, Feng; Hourani, Rami; Lee, Ming Tsang; Shu, Jessica Y; Mao, Samuel; and Helms,...

  12. Brett Helms | Center for Gas SeparationsRelevant to Clean Energy...

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

    J. Am. Chem. Soc., 133, 15296-15299 (2011). 10.1021ja2063082 Xu, Ting; Zhao, Nana; Ren, Feng; Hourani, Rami; Lee, Ming Tsang; Shu, Jessica Y; Mao, Samuel; and Helms,...

  13. Ting Xu | Center for Gas SeparationsRelevant to Clean Energy...

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

    J. Am. Chem. Soc., 133, 15296-15299 (2011). 10.1021ja2063082 Xu, Ting; Zhao, Nana; Ren, Feng; Hourani, Rami; Lee, Ming Tsang; Shu, Jessica Y; Mao, Samuel; and Helms,...

  14. Research Highlight

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

    Group(s): Aerosol Journal Reference: McComiskey, A, SE Schwartz, B Schmid, H Guan, ER Lewis, P Ricchiazzi, and JA Ogren. 2008. "Direct aerosol forcing: Calculation from...

  15. Enol Intermediates Unexpectedly Found in Flames

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

    (Sandia National Laboratories and JILA); N. Hansen, A. McIlroy, J.A. Miller, J.P. Senosiain, and S.J. Klippenstein (Sandia National Laboratories); F. Qi (Sandia National...

  16. MoNA - The Modular Neutron Array at the NSCL (Journal Article...

    Office of Scientific and Technical Information (OSTI)

    including a large number of undergraduate schools. Authors: Baumann, T. 1 ; Brown, J.A. 2 ; DeYoung, P. ; Peaslee, G.F. 3 ; Finck, J.E. 4 ; Hinnefeld, J.D. 5 ;...

  17. NREL: Photovoltaics Research - Jeffery Aguiar, Ph. D.

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

    Implications for Radiation Damage Evolution and Fast Ion Conduction."The Journal of Chemical Physics 140(19); 194701. Patel, M.K.; Tallman, D. J.; Valdez, J. A.; Aguiar, J.A.;...

  18. Revised Manuscript

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

    Masses, Winnipeg, Canada, 1967 (Winnipeg Univ. Manitoba Press, 1967) 508 1967BR1F F.P. Brady, J.A. Jungerman and J.C. Young, Nucl. Phys. A98 (1967) 241 1967CA17 P. Camiz, Nuovo...

  19. UC-2030

    Office of Scientific and Technical Information (OSTI)

    ... Laboratow JM Bates (5) S Q Bennett J W Brothers (5) BC Bunker JA Fort SD Colson BJ Palmer CW Stewart G Terrones LA Mahoney DR Rector LR Pederson PA Gauglitz A Shekarriz (5) ...

  20. ARM - Publications: Science Team Meeting Documents

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

    Regional Climate System Model Pinto, J.O.(a), Curry, J.A.(b), Cassano, J.(a), and Lynch, A.H.(a), University of Colorado (a), Georgia Tech University (b) Thirteenth...

  1. Microsoft Word - 2007 waste return memoGS.doc

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

    have the waste container removed from the SWOC TSD facility within 15 business days. Please direct any questions on the Waste Acceptance Criteria to J.A. Nielsen or A.J. Ramirez....

  2. Sandia Energy - Elucidating the Role of Twin Boundaries in Deformation...

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

    Metals Authors J.G. Brons, J.A. Hardwick, H.A. Padilla II, K. Hattar, G.B. Thompson, B.L. Boyce Scientific Achievement Simulation results suggest that twins don't just...

  3. 17F

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

    F +-Decay Evaluated Data Measurements 1949BR27: 17F. 1954KO54: 17F. 1954WO20: 17F. 1958AR15: 17F. 1960JA12: 17F; measured not abstracted; deduced nuclear properties. 1969GA05:...

  4. BPA-2013-01256-FOIA Request

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

    M1C1-Ti SSQcJTES, RC. AttojrneyN at.Law RECEIVED BY tWA FOIA OFFICE TillS DATE - 1143 DUE DATE: OF COUNS 6L 0014 5. KATES bATneonow4b. WA RuTh P HARING IL&Tri5w fri. HC'RDCZIcO Ws...

  5. Catalytic membranes for CO oxidation in fuel cells

    DOE Patents [OSTI]

    Sandi-Tapia, Giselle; Carrado Gregar, Kathleen; Kizilel, Riza

    2010-06-08

    A hydrogen permeable membrane, which includes a polymer stable at temperatures of about 200 C having clay impregnated with Pt or Au or Ru or Pd particles or mixtures thereof with average diameters of less than about 10 nanometers (nms) is disclosed. The membranes are useful in fuel cells or any device which requires hydrogen to be separated from carbon monoxide.

  6. Correlating the chemical composition and size of various metal oxide substrates with the catalytic activity and stability of as-deposited Pt nanoparticles for the methanol oxidation reaction

    SciTech Connect (OSTI)

    Megan E. Scofield; Wong, Stanislaus S.; Koenigsmann, Christopher; Bobb-Semple, Dara; Tao, Jing; Tong, Xiao; Wang, Lei; Lewis, Crystal S.; Vuklmirovic, Miomir; Zhu, Yimei; Adzic, Radoslav R.

    2015-12-09

    The performance of electrode materials in conventional direct alcohol fuel cells (DAFC) is constrained by (i) the low activity of the catalyst materials relative to their overall cost, (ii) the poisoning of the active sites due to the presence of partially oxidized carbon species (such as but not limited to CO, formate, and acetate) produced during small molecule oxidation, and (iii) the lack of catalytic stability and durability on the underlying commercial carbon support. Therefore, as a viable alternative, we have synthesized various metal oxide and perovskite materials of different sizes and chemical compositions as supports for Pt nanoparticles (NPs). Our results including unique mechanistic studies demonstrate that the SrRuO3 substrate with immobilized Pt NPs at its surface evinces the best methanol oxidation performance as compared with all of the other substrate materials tested herein, including commercial carbon itself. In addition, data from electron energy loss spectroscopy (EELS) and X-ray photoelectron spectroscopy (XPS) confirmed the presence of electron transfer from bound Pt NPs to surface Ru species within the SrRuO3 substrate itself, thereby suggesting that favorable metal support interactions are responsible for the increased methanol oxidation reaction (MOR) activity of Pt species with respect to the underlying SrRuO3 composite catalyst material.

  7. Isonitrile radionuclide complexes for labelling and imaging agents

    DOE Patents [OSTI]

    Jones, Alun G.; Davison, Alan; Abrams, Michael J.

    1984-06-04

    A coordination complex of an isonitrile ligand and radionuclide such as Tc, Ru, Co, Pt, Fe, Os, Ir, W, Re, Cr, Mo, Mn, Ni, Rh, Pd, Nb and Ta, is useful as a diagnostic agent for labelling liposomes or vesicles, and selected living cells containing lipid membranes, such as blood clots, myocardial tissue, gall bladder tissue, etc.

  8. Correlating the chemical composition and size of various metal oxide substrates with the catalytic activity and stability of as-deposited Pt nanoparticles for the methanol oxidation reaction

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

    Megan E. Scofield; Wong, Stanislaus S.; Koenigsmann, Christopher; Bobb-Semple, Dara; Tao, Jing; Tong, Xiao; Wang, Lei; Lewis, Crystal S.; Vuklmirovic, Miomir; Zhu, Yimei; et al

    2015-12-09

    The performance of electrode materials in conventional direct alcohol fuel cells (DAFC) is constrained by (i) the low activity of the catalyst materials relative to their overall cost, (ii) the poisoning of the active sites due to the presence of partially oxidized carbon species (such as but not limited to CO, formate, and acetate) produced during small molecule oxidation, and (iii) the lack of catalytic stability and durability on the underlying commercial carbon support. Therefore, as a viable alternative, we have synthesized various metal oxide and perovskite materials of different sizes and chemical compositions as supports for Pt nanoparticles (NPs).more » Our results including unique mechanistic studies demonstrate that the SrRuO3 substrate with immobilized Pt NPs at its surface evinces the best methanol oxidation performance as compared with all of the other substrate materials tested herein, including commercial carbon itself. In addition, data from electron energy loss spectroscopy (EELS) and X-ray photoelectron spectroscopy (XPS) confirmed the presence of electron transfer from bound Pt NPs to surface Ru species within the SrRuO3 substrate itself, thereby suggesting that favorable metal support interactions are responsible for the increased methanol oxidation reaction (MOR) activity of Pt species with respect to the underlying SrRuO3 composite catalyst material.« less

  9. Hydrodesulfurization of dibenzothiophene catalyzed by alumina-supported ruthenium carbonyl complexes in a pressurized flow system

    SciTech Connect (OSTI)

    NONE

    1994-11-01

    Ruthenium sulfide has been found to be most active for hydrodesulfurization (HDS) of thiophenes as well as hydrogenation and hydrodenitrogenation among transition metal sulfides. When ruthenium sulfide is supported on alumina, silica, or zeolite with high surface area, highly dispersed ruthenium sulfide formed on the supports would increase the catalytic activity per a ruthenium atom. Several researchers have already reported HDS using supported ruthenium sulfides. In these works [Ru(NH{sub 3}){sub 6}]{sup +}, Ru{sub 3}(CO){sub 12}, RuCl{sub 3}, and Ru(III) acetate supported on alumina, zeoliate, carbon, etc., were used as catalyst precursors in HDS of thiophene, benzothiophene, or dibenzothiophene. Although these HDS reactions were performed under an atmospheric pressure, the activity of the catalysts derived from supported ruthenium in a pressurized flow system have not yet been understood. In the present study, HDS of DBT catalyzed by ruthenium catalysts is investigated in a pressurized flow reactor. 17 refs., 2 figs., 2 tabs.

  10. A=12B (68AJ02)

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

    68AJ02) (See Energy Level Diagrams for 12B) GENERAL: See Table 12.1 Table of Energy Levels (in PDF or PS). See (KU56, FL59A, TA60L, RE63, RU63A, MA64B, NA64D, ST64, UB65B, MA66S,...

  11. Rutherford backscattering analysis of the failure of chlorine anodes

    SciTech Connect (OSTI)

    Vallet, C.E.; Tilak, B.V.

    1996-06-01

    Rutherford Backscattering Spectrometry, carried out at the ORNL Surface Modification And Characterization Collaborative Research Center (SMAC) facility, has been applied to the nondestructive analysis of RuO[sub 2]-TiO[sub 2] electrodes of 5000 Angstroms, which mimic the DSA anodes in composition and the method of preparation. Occidental Chemical Corporation provided electrodes, which had been subjected to life time testing in H[sub 2]S04 solution, for analysis by ORNL. The results were used to test the hypothesis of degradation of theses, and similar electrodes, from a process involving a decrease in the RuO[sub 2]:TiO[sub 2] ratio at and near the electrode surface and the related decrease in the electrode electrical conductivity. The drop in electrode activity is closely linked to a decrease in Ru content, and the measured profiles show that the loss takes place across the thin RuO[sub 2]-TiO[sub 2] coating. No build up of a pure TiO[sub 2] layer is apparent. The data agree quantitatively with the critical concentration previously reported by ORNL for materials produced by ion implantation and characterized by Rutherford Backscattering Spectrometry and Photoacoustic Spectrometry. The study has brought a better understanding of the degradation process in electrodes of great technological importance, and has given a more solid background in designing new fabrication procedures for improved electrodes.

  12. RIFLE TO SAN JUAN

    Office of Environmental Management (EM)

    Di r ec to r Wes t e r n A r e a - E l ec tric Ru r al E l ec t rifica tio n Adminis t r a tio n 14 th & Inde p e nde nce Ave., S.W. Washi n g ton, D.C. 20250 Tele pho n e:...

  13. Doped colloidal artificial spin ice (Journal Article) | SciTech...

    Office of Scientific and Technical Information (OSTI)

    Date: 2015-10-07 OSTI Identifier: 1236014 Report Number(s): LA-UR--15-24826 Journal ID: ISSN 1367-2630 GrantContract Number: PN-II-RU-TE-2011-3-0114; AC52-06NA25396...

  14. Doped colloidal artificial spin ice (Journal Article) | DOE PAGES

    Office of Scientific and Technical Information (OSTI)

    Date: 2015-10-07 OSTI Identifier: 1236014 Report Number(s): LA-UR--15-24826 Journal ID: ISSN 1367-2630 GrantContract Number: PN-II-RU-TE-2011-3-0114; AC52-06NA25396...

  15. Ou,I~

    Office of Legacy Management (LM)

    Ir.CPZCl2tf f?V??,',orr E s'or-v &J fixed-asYet ustch'ru5 31. - .-L s?:ts-Filly, t be cp-*3icSed In the ne%r fzta,q. zT;y dsc rea3c it- tlc prc:;sst InScrtr tcrzs k:Ll...

  16. ARM - Publications: Science Team Meeting Documents

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

    Optical Remote Sensing Research at Montana State University Shaw, J.A., Repasky, K., and Carlsten, J.A., Montana State University Thirteenth Atmospheric Radiation Measurement (ARM) Science Team Meeting We describe a new, growing research program at Montana State University in Bozeman, Montana in development and application of optical remote sensors, including lidars and radiometers. The remote sensor program builds on well-established expertise in laser development. Current activities include:

  17. Structure-Assisted Functional Anchor Implantation in Robust Metal-Organic

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    Frameworks with Ultralarge Pores | Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Structure-Assisted Functional Anchor Implantation in Robust Metal-Organic Frameworks with Ultralarge Pores Previous Next List Jihye Park , Dawei Feng , and Hong-Cai Zhou, J. Am. Chem. Soc. 137, 1663-1672 (2015) DOI: 10.1021/ja5123528 ja-2014-123528_0006 Abstract: A facile functionalization assisted by the structural attributes of PCN-333 has been studied while maintaining the

  18. Electrochemical Oxidation of H? Catalyzed by Ruthenium Hydride Complexes Bearing P?N? Ligands With Pendant Amines as Proton Relays

    SciTech Connect (OSTI)

    Liu, Tianbiao L.; Rakowski DuBois, Mary; DuBois, Daniel L.; Bullock, R. Morris

    2014-01-01

    Two Ru hydride complexes (Cp*Ru(PPh?NBn?)H, (1-H) and Cp*Ru(PtBu?NBn?)H, (2-H) supported by cyclic PR?NR'? ligands (Cp* = n?-C?Me?; 1,5-diaza-3,7-diphosphacyclooctane, where R = Ph or tBu and R' = Bn) have been synthesized and fully characterized. Both complexes are demonstrated to be electrocatalysts for oxidation of H? (1 atm, 22 C) in the presence of external base, DBU (1,8-diazabicyclo[5.4.0]undec-7-ene). The turnover frequency of 2-H is 1.2 s-1, with an overpotential at Ecat/2 of 0.45 V, while catalysis by 1-H has a turnover frequency of 0.6 s-1 and an overpotential of 0.6 V at Ecat/2. Addition of H?O facilitates oxidation of H? by 2-H and increases its turnover frequency to 1.9 s-1 while , H?O slows down the catalysis by 1-H. The different effects of H?O for 1-H and 2-H are ascribed to different binding affinities of H?O to the Ru center of the corresponding unsaturated species, [Cp*Ru(PPh?NBn?)]+ and [Cp*Ru(PPh?NBn?)]+. In addition, studies of Cp*Ru(dmpm)H (where dmpm = bis(dimethylphosphino)methane), a control complex lacking pendent amines in its diphosphine ligand, confirms the critical roles of the pendent amines of P?N? ligands for oxidation of H?. We thank the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences, for supporting initial parts of the work. Current work is supported by the Center for Molecular Electrocatalysis, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences. Pacific Northwest National Laboratory is operated by Battelle for the U.S. Department of Energy.

  19. Ruthenium Behavior at Phase Separation of Borosilicate Glass-12259

    SciTech Connect (OSTI)

    Enokida, Youichi [Graduate School of Engineering, Nagoya University, Nagoya, 463-8603 (Japan); Sawada, Kayo [EcoTopia Science Institute, Nagoya University, Nagoya, 463-8603 (Japan)

    2012-07-01

    The Rokkasho reprocessing plant (RRP) located in Aomori, Japan, vitrifies high level waste (HLW) into a borosilicate glass. The HLW is generated from the reprocessing of spent fuel and contains ruthenium (Ru) and other platinum group metals (PGMs). Based on the recent consequences after a huge earthquake that occurred in Japan, a hypothetical blackout was postulated for the RRP to address additional safety analysis requirements. During a prolonged blackout, the borosilicate glass could phase separate due to cooling of the glass in the melter. The Ru present in the glass matrix could migrate into separate phases and impact the durability of the borosilicate glass. The durability of the glass is important for quality assurance and performance assessment of the vitrified HLW. A fundamental study was performed at an independent university to understand the impact of a prolonged blackout. Simulated HLW glasses were prepared for the RRP, and the Ru behavior in phase separated glasses was studied. The simulated HLW glasses contained nonradioactive elements and PGMs. The glass compositions were then altered to enhance the formation of the phase-separated glasses when subjected to thermal treatment at 700 deg. C for 24 hours. The synthesized simulated glasses contained 1.1 % Ru by weight as ruthenium dioxide (RuO{sub 2}). A portion of the RuO{sub 2} formed needle-shaped crystals in the glass specimens. After the thermal treatment, the glass specimen had separated into two phases. One of the two phases was a B{sub 2}O{sub 3} rich phase, and the other phase was a SiO{sub 2} rich phase. The majority of the chemical species in the B{sub 2}O{sub 3} rich phase was leached away with the Material Characterization Center-3 (MCC-3) protocol standardized by the Pacific Northwest National Laboratory using an aqueous low-concentrated nitric acid solution, but the leaching of the Ru fraction was very limited; less than 1% of the original Ru content. The Ru leaching was much less than those of the other elements, and the needle-shaped crystals of RuO{sub 2} were observed in the B{sub 2}O{sub 3} rich phase in the specimen after the leaching test. Another experiment was performed using another glass specimen which had been prepared with the same frits, but used reagent RuO{sub 2} of granular shape at lower content (0.0073% by weight as RuO{sub 2}). The leached fractions of elements for the latter specimen increased to almost the same fraction (more than 10% of the original Ru content) as observed for boron and sodium, when the phase separated glass was leached using the MMC-3 protocol with non-acidic de-ionized water. Based on the results of this study, it was concluded that needle-shaped RuO{sub 2} crystals are contained in the B{sub 2}O{sub 3}-rich phase after phase separation of the borosilicate glass after a hypothetical blackout. The leaching fraction for the needle-shaped RuO{sub 2} present in the phase separated glass is much lower than those for boron or sodium. Ruthenium behavior has been studied for a hypothetical loss of cooling in the liquid fed ceramic melter for high level waste by taking into account the phase separation of borosilicate glass. The needle-shaped crystal of ruthenium dioxide after bi-nodal-type phase separation of the borosilicate glass at 700 deg. C migrated into the B{sub 2}O{sub 3} rich phase, but remained without dissolution by an acidic aqueous solution. Additionally, granular ruthenium dioxide can be a morphological form of ruthenium after bimodal-type phase separation of the vitrified high level waste with borosilicate glass media. After the phase separation of the borosilicate glass, the crystal shape of the ruthenium dioxide is either needle-shaped or granular, and the leachable fraction of ruthenium is relatively much lower than those of major components (boron and sodium) in the vitrified borosilicate glass. The fraction of leached ruthenium increased to almost the same fraction as observed for boron and sodium when the phase-separated glass was leached with ultrapure water. (authors)

  20. DWPF CATALYTIC HYDROGEN GENERATION PROGRAM - REVIEW OF CURRENT STATUS

    SciTech Connect (OSTI)

    Koopman, D.

    2009-07-10

    Significant progress has been made in the past two years in improving the understanding of acid consumption and catalytic hydrogen generation during the Defense Waste Processing Facility (DWPF) processing of waste sludges in the Sludge Receipt and Adjustment Tank (SRAT) and Slurry Mix Evaporator (SME). This report reviews issues listed in prior internal reviews, describes progress with respect to the recommendations made by the December 2006 external review panel, and presents a summary of the current understanding of catalytic hydrogen generation in the DWPF Chemical Process Cell (CPC). Noble metals, such as Pd, Rh, and Ru, are historically known catalysts for the conversion of formic acid into hydrogen and carbon dioxide. Rh, Ru, and Pd are present in the DWPF SRAT feed as by-products of thermal neutron fission of {sup 235}U in the original waste. Rhodium appears to become most active for hydrogen as the nitrite ion concentration becomes low (within a factor of ten of the Rh concentration). Prior to hydrogen generation, Rh is definitely active for nitrite destruction to N{sub 2}O and potentially active for nitrite to NO formation. These reactions are all consistent with the presence of a nitro-Rh complex catalyst, although definite proof for the existence of this complex during Savannah River Site (SRS) waste processing does not exist. Ruthenium does not appear to become active for hydrogen generation until nitrite destruction is nearly complete (perhaps less nitrite than Ru in the system). Catalytic activity of Ru during nitrite destruction is significantly lower than that of either Rh or Pd. Ru appears to start activating as Rh is deactivating from its maximum catalytic activity for hydrogen generation. The slow activation of the Ru, as inferred from the slow rate of increase in hydrogen generation that occurs after initiation, may imply that some species (perhaps Ru itself) has some bound nitrite on it. Ru, rather than Rh, is primarily responsible for the hydrogen generation in the SME cycle when the hydrogen levels are high enough to be noteworthy. Mercury has a role in catalytic hydrogen generation. Two potentially distinct roles have been identified. The most dramatic effect of Hg on hydrogen generation occurs between runs with and without any Hg. When a small amount of Hg is present, it has a major inhibiting effect on Rh-catalyzed H{sub 2} generation. The Rh-Ru-Hg matrix study showed that increasing mercury from 0.5 to 2.5 wt% in the SRAT receipt total solids did not improve the inhibiting effect significantly. The next most readily identified role for Hg is the impact it has on accelerating NO production from nitrite ion. This reaction shifts the time that the ideal concentration of nitrite relative to Rh occurs, and consequently causes the most active nitro-Rh species to form sooner. The potential consequences of this shift in timing are expected to be a function of other factors such as amount of excess acid, Rh concentration, etc. Graphical data from the Rh-Ru-Hg study suggested that Hg might also be responsible for partially inhibiting Ru-catalysis initially, but that the inhibition was not sustained through the SRAT and SME cycles. Continued processing led to a subsequent increase in hydrogen generation that was often abrupt and that frequently more than doubled the hydrogen generation rate. This phenomenon may have been a function of the extent of Hg stripping versus the initial Ru concentration in these tests. Palladium is an active catalyst, and activates during (or prior to) nitrite destruction to promote N{sub 2}O formation followed by a very small amount of hydrogen. Pd then appears to deactivate. Data to date indicate that Pd should not be a species of primary concern relative to Rh and Ru for hydrogen generation. Pd was a very mild catalyst for hydrogen generation compared to Rh and Ru in the simulated waste system. Pd was comparable to Rh in enhancing N{sub 2}O production when present at equal concentration. Pd, however, is almost always present at less than a quarter of the Rh concentration in S

  1. Dosimetric measurements of an n-butyl cyanoacrylate embolization material for arteriovenous malformations

    SciTech Connect (OSTI)

    Labby, Zacariah E.; Chaudhary, Neeraj; Gemmete, Joseph J.; Pandey, Aditya S.; Roberts, Donald A.

    2015-04-15

    Purpose: The therapeutic regimen for cranial arteriovenous malformations often involves both stereotactic radiosurgery and endovascular embolization. Embolization agents may contain tantalum or other contrast agents to assist the neurointerventionalists, leading to concerns regarding the dosimetric effects of these agents. This study investigated dosimetric properties of n-butyl cyanoacrylate (n-BCA) plus lipiodol with and without tantalum powder. Methods: The embolization agents were provided cured from the manufacturer with and without added tantalum. Attenuation measurements were made for the samples and compared to the attenuation of a solid water substitute using a 6 MV photon beam. Effective linear attenuation coefficients (ELAC) were derived from attenuation measurements made using a portal imager and derived sample thickness maps projected in an identical geometry. Probable dosimetric errors for calculations in which the embolized regions are overridden with the properties of water were calculated using the ELAC values. Interface effects were investigated using a parallel plate ion chamber placed at set distances below fixed samples. Finally, Hounsfield units (HU) were measured using a stereotactic radiosurgery CT protocol, and more appropriate HU values were derived from the ELAC results and the CT scanners HU calibration curve. Results: The ELAC was 0.0516 0.0063 cm{sup ?1} and 0.0580 0.0091 cm{sup ?1} for n-BCA without and with tantalum, respectively, compared to 0.0487 0.0009 cm{sup ?1} for the water substitute. Dose calculations with the embolized region set to be water equivalent in the treatment planning system would result in errors of ?0.29% and ?0.93% per cm thickness of n-BCA without and with tantalum, respectively. Interface effects compared to water were small in magnitude and limited in distance for both embolization materials. CT values at 120 kVp were 2082 and 2358 HU for n-BCA without and with tantalum, respectively; dosimetrically appropriate HU values were estimated to be 79 and 199 HU, respectively. Conclusions: The dosimetric properties of the embolization agents are very close to those of water for a 6 MV beam. Therefore, treating the entire intracranial space as uniform in composition will result in less than 1% dosimetric error for n-BCA emboli smaller than 3.4 cm without added tantalum and n-BCA emboli smaller than 1.1 cm with added tantalum. Furthermore, when effective embolization can be achieved by the neurointerventionalist using n-BCA without tantalum, the dosimetric impact of overriding material properties will be lessened. However, due to the high attenuation of embolization agents with and without added tantalum for diagnostic energies, artifacts may occur that necessitate additional imaging to accurately identify the spatial extent of the region to be treated.

  2. The effects of mapping CT images to Monte Carlo materials on GEANT4 proton simulation accuracy

    SciTech Connect (OSTI)

    Barnes, Samuel; McAuley, Grant; Slater, James; Wroe, Andrew

    2013-04-15

    Purpose: Monte Carlo simulations of radiation therapy require conversion from Hounsfield units (HU) in CT images to an exact tissue composition and density. The number of discrete densities (or density bins) used in this mapping affects the simulation accuracy, execution time, and memory usage in GEANT4 and other Monte Carlo code. The relationship between the number of density bins and CT noise was examined in general for all simulations that use HU conversion to density. Additionally, the effect of this on simulation accuracy was examined for proton radiation. Methods: Relative uncertainty from CT noise was compared with uncertainty from density binning to determine an upper limit on the number of density bins required in the presence of CT noise. Error propagation analysis was also performed on continuously slowing down approximation range calculations to determine the proton range uncertainty caused by density binning. These results were verified with Monte Carlo simulations. Results: In the presence of even modest CT noise (5 HU or 0.5%) 450 density bins were found to only cause a 5% increase in the density uncertainty (i.e., 95% of density uncertainty from CT noise, 5% from binning). Larger numbers of density bins are not required as CT noise will prevent increased density accuracy; this applies across all types of Monte Carlo simulations. Examining uncertainty in proton range, only 127 density bins are required for a proton range error of <0.1 mm in most tissue and <0.5 mm in low density tissue (e.g., lung). Conclusions: By considering CT noise and actual range uncertainty, the number of required density bins can be restricted to a very modest 127 depending on the application. Reducing the number of density bins provides large memory and execution time savings in GEANT4 and other Monte Carlo packages.

  3. WE-D-18A-05: Construction of Realistic Liver Phantoms From Patient Images and a Commercial 3D Printer

    SciTech Connect (OSTI)

    Leng, S; Vrieze, T; Kuhlmann, J; Yu, L; Matsumoto, J; Morris, J; McCollough, C

    2014-06-15

    Purpose: To assess image quality and radiation dose reduction in abdominal CT imaging, physical phantoms having realistic background textures and lesions are highly desirable. The purpose of this work was to construct a liver phantom with realistic background and lesions using patient CT images and a 3D printer. Methods: Patient CT images containing liver lesions were segmented into liver tissue, contrast-enhanced vessels, and liver lesions using commercial software (Mimics, Materialise, Belgium). Stereolithography (STL) files of each segmented object were created and imported to a 3D printer (Object350 Connex, Stratasys, MN). After test scans were performed to map the eight available printing materials into CT numbers, printing materials were assigned to each object and a physical liver phantom printed. The printed phantom was scanned on a clinical CT scanner and resulting images were compared with the original patient CT images. Results: The eight available materials used to print the liver phantom had CT number ranging from 62 to 117 HU. In scans of the liver phantom, the liver lesions and veins represented in the STL files were all visible. Although the absolute value of the CT number in the background liver material (approx. 85 HU) was higher than in patients (approx. 40 HU), the difference in CT numbers between lesions and background were representative of the low contrast values needed for optimization tasks. Future work will investigate materials with contrast sufficient to emulate contrast-enhanced arteries. Conclusion: Realistic liver phantoms can be constructed from patient CT images using a commercial 3D printer. This technique may provide phantoms able to determine the effect of radiation dose reduction and noise reduction techniques on the ability to detect subtle liver lesions in the context of realistic background textures.

  4. TH-A-BRF-01: A Probabilistic Bayesian Approach to Derive Electron Density From MRI for Radiation Therapy Treatment Planning

    SciTech Connect (OSTI)

    Gudur, M; Hara, W; Wang, L; Xing, L; Li, R

    2014-06-15

    Purpose: MRI significantly improves the accuracy and reliability of target delineation for patient simulation and treatment planning in radiation therapy, due to its superior soft tissue contrast as compared to CT. An MRI based simulation will reduce cost and simplify clinical workflow with zero ionizing radiation. However, MRI lacks the key electron density information. The purpose of this work is to develop a reliable method to derive electron density from MRI. Methods: We adopt a probabilistic Bayesian approach for electron density mapping based on T1-weighted head MRI. For each voxel, we compute conditional probability of electron densities given its: (1) T1 intensity and (2) geometry in a reference anatomy, obtained by deformable image registration between the MRI of test patient and atlas. Intensity and geometry information are combined into a unifying posterior probability density function whose mean gives the electron density. Mean absolute HU error between the estimated and true CT, as well as ROC's for bone detection (HU>200) were calculated for 8 patients. The performance was compared with a global intensity approach based on T1 and no density correction (set whole head to water). Results: The proposed technique significantly reduced the errors in electron density estimation, with a mean absolute HU error of 132, compared with 139 for deformable registration (p=10{sup ?3}), 371 for the intensity approach (p=10{sup ?5}) and 282 without density correction (p=210{sup ?4}). For 90% sensitivity in bone detection, the proposed method had a specificity of 85% and that for deformable registration, intensity and without density correction are 80%, 24% and 10% respectively. Conclusion: The proposed unifying method provides accurate electron density estimation and bone detection from MRI of the head with highly heterogeneous regions. This paves the way for accurate dose calculation and generating reference images for patient setup in MRI-based treatment planning.

  5. Support of Publication Costs, Atlantic Meridional Overturning Circulation Special Issue of Deep Sea Research II Journal

    SciTech Connect (OSTI)

    Amy Honchar

    2012-11-12

    The contribution of funds from DOE supported publication costs of a special issue of Deep Sea Research arising from presentations at the First U.S. Atlantic Meridional Overturning Circulation (AMOC) Meeting held 4-6 May, 2009 to review the US implementation plan and its coordination with other monitoring activities. The special issue includes a total of 16 papers, including publications from three DOE-supported investigators (ie Sevellec, F., and A.V. Fedorov; Hu et. al., and Wan et. al.,). The special issue addresses DOE interests in understanding and simulation/modeling of abrupt climate change.

  6. Collaboration on Renewable Energy Standards, Testing, and Certification under the U.S. China Renewable Energy Partnership: Preprint

    SciTech Connect (OSTI)

    Wallace, W.; Kurtz, S.; Lin, W.

    2012-06-01

    During November 2009, the U.S. China Renewable Energy Partnership agreement was authorized in Beijing by Presidents Obama and Hu from the U.S. and China. One of the principle tasks under this new program is the collaboration of the U.S. and China on the topic of renewable energy standards, testing, and certification with an initial focus on solar PV and wind topics. This paper will describe and discuss the activities which have taken place under the bilateral collaboration to date.

  7. This

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

    i l, L _l i, ,, , i i i n , ,, To be presented at the Symposium on the Science of Advanced Batteries, Cleveland, Ohio, November 8-9, 1993 and published in Proceedings i i i i ill I H I I I II II THIN-FILM RECHARGEABLE LITHIUM BATTERIES J. B. Bates, G. R. Gruzalski, N. J. Dudney, C. F. Luck, Xiaohua Yu Oak Ridge National Laboratory Oak Ridge, Tennessee 37831-6030 "The submiue.al manuscript hu been au_ox_t by * contractor of the U.S. Government unde_ o_ntract No. DE-AC05-g4OR21400.

  8. 2001 - 10 | Jefferson Lab

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    October 2001 Tue, 10/30/2001 - 1:00am NN Germ-Killing Research May Soon Target Anthrax: (Daily Press) Fri, 10/26/2001 - 12:00am HU Wins Awards for Physics Research (Daily Press) Wed, 10/24/2001 - 12:00am Professor Wins 'Genius Award' (Times-Dispatch) Sun, 10/14/2001 - 12:00am Scientists Have Quirky Fun Naming the Various Quarks (Burrelle's) Thu, 10/04/2001 - 12:00am Beaming with Power (Daily Press) Thu, 10/04/2001 - 12:00am Small is not the same for one and all

  9. A=9C (1984AJ01)

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    4AJ01) (See the Isobar Diagram for 9C) GENERAL: (See also (1979AJ01) for other references in this category and for some reactions on which no new work has been done.) and Table 9.12 [Table of Energy Levels] (in PDF or PS) here. Model calculations: (1979LA06). Complex reactions involving 9C: (1981MO20). Reactions involing pions: (1979AS01, 1979NA1E, 1980BU15, 1983HU02). Other topics: (1979BE1H, 1979LA06, 1982NG01). Mass of 9C: The recent Q0 value for the 12C(3He, 6He)9C reaction (see reaction 3)

  10. High Performance Computing Richard F. BARRETT

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

    Role of Co-design in High Performance Computing Richard F. BARRETT a,1 , Shekhar BORKAR b , Sudip S. DOSANJH c , Simon D. HAMMOND a , Michael A. HEROUX a , X. Sharon HU d , Justin LUITJENS e , Steven G. PARKER e , John SHALF c , and Li TANG d a Sandia National Laboratories, Albuquerque, NM, USA b Intel Corporation c Lawrence Berkeley National Laboratory, Berkeley, CA, USA d University of Notre Dame, South Bend, IN, USA e Nvidia, Inc., Santa Clara, CA, USA Abstract. Preparations for Exascale

  11. Modified magnetism within the coherence volume of superconducting Fe1+delta

    Office of Scientific and Technical Information (OSTI)

    SexTe1-x (Journal Article) | SciTech Connect Modified magnetism within the coherence volume of superconducting Fe1+delta SexTe1-x Citation Details In-Document Search Title: Modified magnetism within the coherence volume of superconducting Fe1+delta SexTe1-x Authors: Leiner J. ; Thampy V. ; Christianson, A. D. ; Abernathy, D. L. ; Stone, M. B. ; Lumsden, M. D. ; Sefat, A. S. ; Sales, B. C. ; Hu, Jin ; Mao, Zhiqiang ; Bao, Wei ; Broholm, C. Publication Date: 2014-09-01 OSTI Identifier: 1174093

  12. Elucidation of the Local and Long-Range Structural Changes that Occur in

    Office of Scientific and Technical Information (OSTI)

    Germanium Anodes in Lithium-Ion Batteries (Journal Article) | SciTech Connect Elucidation of the Local and Long-Range Structural Changes that Occur in Germanium Anodes in Lithium-Ion Batteries Citation Details In-Document Search Title: Elucidation of the Local and Long-Range Structural Changes that Occur in Germanium Anodes in Lithium-Ion Batteries Authors: Jung, Hyeyoung ; Allan, Phoebe K ; Hu, Yan-Yan ; Borkiewicz, Olaf ; Wang, Xiao-Liang ; Han, Wei-Qiang ; Du, Lin-Shu ; Pickard, Chris J.

  13. US-China Clean Energy Cooperation: From Laboratory to Livable Cities |

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

    Department of Energy Cooperation: From Laboratory to Livable Cities US-China Clean Energy Cooperation: From Laboratory to Livable Cities January 18, 2011 - 4:04pm Addthis The official logo of the U.S.-China Clean Energy Research Center | Energy Department Illustration | The official logo of the U.S.-China Clean Energy Research Center | Energy Department Illustration | Julian Wong This week, Chinese President Hu Jintao is in the United States for a state visit. This visit is an opportunity to

  14. Ferroelectric PLZT thick films grown by poly(1-vinylpyrrolidone-co-vinyl

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

    acetate) (PVP/VA)-modified sol-gel process | Argonne National Laboratory Ferroelectric PLZT thick films grown by poly(1-vinylpyrrolidone-co-vinyl acetate) (PVP/VA)-modified sol-gel process Title Ferroelectric PLZT thick films grown by poly(1-vinylpyrrolidone-co-vinyl acetate) (PVP/VA)-modified sol-gel process Publication Type Journal Article Year of Publication 2016 Authors Hu, Z, Ma, B, Li, M, Koritala, RE, Balachandran, U Journal Materials Research Bulletin Volume 75 Start Page 167

  15. MOF Coating a Promising Path to White LEDs

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

    MOF Coating a Promising Path to White LEDs MOF Coating a Promising Path to White LEDs Print Friday, 27 February 2015 17:11 Hu et al. designed a new yellow phosphor with high quantum yield by immobilizing a preslected chromophore into the rigid framework of a metal-organic framework (MOF); the structure was determined at Beamline 11.3.1. Coating a blue light-emitting diode (LED) with this compound readily generates white light with high luminous efficacy. The new yellow phosphor demonstrates

  16. 14.11.05 RH Stabilized Si Microwire - JCAP

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    Stabilized Si Microwire Arrays for Solar-Driven H2O Oxidation Shaner, M. R., Hu, S., Sun, K. & Lewis, N. S. Stabilization of Si microwire arrays for solar-driven H2O oxidation to O2(g) in 1.0 M KOH(aq) using conformal coatings of amorphous TiO2. Energy & Environmental Science 8, 203-207, DOI: 10.1039/c4ee03012e (2015). Scientific Achievement Atomic-layer deposition of TiO2combined with sputtering of NiCrOxoxygen-evolution catalyst on Si microwires yields robust microwire-array

  17. 2011 | Jefferson Lab

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

    December 2011 Mon, 12/12/2011 - 2:00pm Jan. 24 Science Series Lecturer to Discuss Volcanoes in Virginia! Mon, 12/05/2011 - 2:00pm Jefferson Lab to Test New Siren Warning System on Tuesday Afternoon November 2011 Mon, 11/28/2011 - 2:00pm Jefferson Lab Scientist Wins 2011 Lawrence Award October 2011 Thu, 10/27/2011 - 2:00pm Speaker for Nov. 1 Lecture to Discuss Deadliest Viral Diseases September 2011 Thu, 09/29/2011 - 2:00pm Oct. 25 Lecture Highlights Treatment Technology of HU's Proton Therapy

  18. Evaluation of gamma-Induced Apoptosis in Human Peripheral Blood Lymphocytes

    SciTech Connect (OSTI)

    Baranova, Elena; Boreyko, Alla; Ravnachka, Ivanka; Saveleva, Maria

    2010-01-05

    Several experiments have been performed to study regularities in the induction of apoptotic cells in human lymphocytes by {sup 60}Cogamma-rays at different times after irradiation. Apoptosis induction by {sup 60}Cogamma-rays in human lymphocytes in different cell cycle phases (G{sub 0}, S, G{sub 1}, and G{sub 2}) has been studied. The maximal apoptosis output in lymphocyte cells was observed in the S phase. Modifying effect of replicative and reparative DNA synthesis inhibitors - 1-beta-D-arabinofuranosylcytosine (Ara-C) and hydroxyurea (Hu) - on the kinetics of {sup 60}Cogamma-rays induced apoptosis in human lymphocytes has been studied.

  19. CASL-U-2015-0090-000 Dakota, A Multilevel Parallel Object-Oriented Framework

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

    90-000 Dakota, A Multilevel Parallel Object-Oriented Framework for Design Optimization, Parameter Estimation, Uncertainty Quantification, and Sensitivity Analysis: Version 6.1 Theory Manual Brian M. Adams Mohamed S. Ebeida Michael S. Eldred John D. Jakeman Laura P. Swiler J. Adam Stephens Dena M. Vigil Timothy M. Wildey William J. Bohnhoff Keith R. Dalbey John P. Eddy Kenneth T. Hu Lara E. Bauman Patricia D. Hough Sandia National Laboratory November 7, 2014 CASL-U-2015-0090-000 SAND2014-4253

  20. People | NEES - EFRC | University of Maryland Energy Frontier Research

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

    Center People Directors Director Gary Rubloff, UMD Website Deputy Director Sang Bok Lee, UMD Website Associate Director for Sandia Neal Shinn, SNL-ALBQ Primary Investigators Thrust 1 John Cumings - UMD Phil Collins - UCI Bryan Eichhorn - UMD Sang Bok Lee - UMD Kevin Leung - SNL-ALBQ Zuzanna Siwy - UCI Thrust 2 Chunsheng Wang - UMD Sang Bok Lee - UMD Liangbing Hu - UMD Chuck Martin - UFL Mark Reed - Yale YuHuang Wang - UMD Thrust 3 Reginald Penner - UCI Katherine Jungjohann - SNL-ALBQ Yue Qi

  1. Uranyl-Peroxide Nanocapsules in Aqueous Solution: Force Field Development

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

    and First Applications | Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Uranyl-Peroxide Nanocapsules in Aqueous Solution: Force Field Development and First Applications Previous Next List Pere Miró, Bess Vlaisavljevich, Allison L. Dzubak, Shuxian Hu, Peter C. Burns, Christopher J. Cramer, Riccardo Spezia, and Laura Gagliardi, J. Phys. Chem. C, 118, 24730-24740 (2014) DOI: 10.1021/jp504147s jp-2014-04147s_0009 Abstract: The self-assembly of uranyl-peroxide

  2. FACT SHEET: U.S.-China Energy Efficiency Action Plan | Department of Energy

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

    FACT SHEET: U.S.-China Energy Efficiency Action Plan FACT SHEET: U.S.-China Energy Efficiency Action Plan Today, President Barack Obama and President Hu Jintao announced the launch of a new U.S.-China Energy Efficiency Action Plan to strengthen the economy, improve energy security and combat climate change by reducing energy waste in both countries. PDF icon US-China_Fact_Sheet_Efficiency_Action_Plan.pdf More Documents & Publications US-China_Fact_Sheet_Efficiency_Action_Plan.pdf THE WHITE

  3. Eaton Aftertreatment System (EAS) for On-Highway Diesel Engines |

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

    Department of Energy Eaton Aftertreatment System (EAS) for On-Highway Diesel Engines Eaton Aftertreatment System (EAS) for On-Highway Diesel Engines Presentation given at DEER 2006, August 20-24, 2006, Detroit, Michigan. Sponsored by the U.S. DOE's EERE FreedomCar and Fuel Partnership and 21st Century Truck Programs. PDF icon 2006_deer_hu.pdf More Documents & Publications LNT + SCR Aftertreatment for Medium-Heavy Duty Applications: A Systems Approach Improved System Performance and

  4. Effects of Catalysts on Emissions from Heavy-Duty Diesel Retrofits for PM

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

    and NOX Control | Department of Energy Catalysts on Emissions from Heavy-Duty Diesel Retrofits for PM and NOX Control Effects of Catalysts on Emissions from Heavy-Duty Diesel Retrofits for PM and NOX Control The more heavily catalyzed and the hotter the exhaust temperature, the more strongly the aftertreatment will oxidize the exhaust. PDF icon deer09_hu.pdf More Documents & Publications SCRT Technology for Retrofit of Heavy-Duty Diesel Applications ARB's Study of Emissions from Diesel

  5. Microsoft PowerPoint - 16_Sahara.dust.min.20070326.ppt [Compatibility Mode]

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

    Saharan dust layer suppress deep Saharan dust layer suppress deep convection and precipitation Qilong Min1, Rui Li1, Shuyu Wang1, Bing Lin2, Yong Hu2, Everette Joseph3, Vernon Morris3 Atmospheric Science Research Center, State University of New York S i Di t i NASA L l R h C t Science Directories, NASA Langley Research Center NOAA Center for Atmospheric Sciences, Howard University Saharan dust and dry air effects: y On Hurricans and cloud systems: *The entrainment of dry air into tropical

  6. Microsoft PowerPoint - Marius Stan.update

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

    Simulations for Nuclear Energy Applications High Speed Computing Conference Salishan Lodge, Gleneden Beach, OR, April 27-30, 2009 UNCLASSIFIED LA-UR-09-02604 Marius Stan 1 Contributors: C. R. Stanek 1 , B. P. Uberuaga 1 , B. Mihaila 1 , S. M. Valone 1 , A. D. Andersson 1 , P. Cristea 2 , S. Y. Hu 3 , J. C. Ramirez 4 , V. Tikare 5 , P. Turchi 6 , and M. Samaras 7 1 Los Alamos National Laboratory, U. S. A. 2 Univ. of Bucharest, Romania 3 Pacific Northwest National Laboratory, U. S. A. 4 Exponent,

  7. 2011 > Publications > Research > The Energy Materials Center at Cornell

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

    1 Publications Surfactant ligand removal and rational fabrication of inorganically connected quantum dots H Zhang, B Hu, L Sun, R Hovden, FW Wise, DA Muller, and RD Robinson Nano Letters, 11(12), pp 5356-5361, 2011 DOI: 10.1021/nl202892p The rechargeable aluminum-ion battery N Jayaprakash, SK Das and LA Archer Chemical Communications, 47, pp 12610-12612, 2011 DOI: 10.1039/C1CC15779E Non-equilibrium phonon generation and detection in microstructure devices JB Hertzberg, OO Otelaja, NJ Yoshida,

  8. Albeni Falls Wildlife Mitigation Project; Idaho Department of Fish and Game 2007 Final Annual Report.

    SciTech Connect (OSTI)

    Cousins, Katherine

    2009-04-03

    The Idaho Department of Fish and Game maintained a total of about 2,743 acres of wildlife mitigation habitat in 2007, and protected another 921 acres. The total wildlife habitat mitigation debt has been reduced by approximately two percent (598.22 HU) through the Department's mitigation activities in 2007. Implementation of the vegetative monitoring and evaluation program continued across protected lands. For the next funding cycle, the IDFG is considering a package of restoration projects and habitat improvements, conservation easements, and land acquisitions in the project area.

  9. ALIGNMENT: ACHIEVING MANAGEMENT AND OPERATIONAL EXCELLENCE

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

    ALIGNMENT: A CHIEVING M ANAGEMENT A ND O PERATIONAL E XCELLENCE December 1 , 2 011 Secretary C hu r eleased t he D OE S trategic P lan i n M ay 2 011, w hich e stablished a v ision f or transformational c lean e nergy, s cience, a nd s ecurity s olutions t hat a re s ignificant, t imely, a nd c ost effective. S uccessfully a chieving t his v ision w ill r equire a s ustained c ommitment t o m anagement a nd operational e xcellence f rom H eadquarters t o e very s ite o ffice, s ervice c enter, a

  10. Search for rare nuclear decays with HPGe detectors at the STELLA facility of the LNGS

    SciTech Connect (OSTI)

    Belli, P.; Di Marco, A.; Bernabei, R.; D'Angelo, S.; Cappella, F.; D'Angelo, A.; Incicchitti, A.; Cerulli, R.; Di Vacri, M. L.; Laubenstein, M.; Nisi, S.; Danevich, F. A.; Kobychev, V. V.; Poda, D. V.; Tretyak, V. I.; Kovtun, G. P.; Kovtun, N. G.; Shcherban, A. P.; Solopikhin, D. A.; Polischuk, O. G.; and others

    2013-12-30

    Results on the search for rare nuclear decays with the ultra low background facility STELLA at the LNGS using gamma ray spectrometry are presented. In particular, the best T{sub 1/2} limits were obtained for double beta processes in {sup 96}Ru and {sup 104}Ru. Several isotopes, which potentially decay through different 2? channels, including also possible resonant double electron captures, were investigated for the first time ({sup 156}Dy, {sup 158}Dy, {sup 184}Os, {sup 192}Os, {sup 190}Pt, {sup 198}Pt). Search for resonant absorption of solar {sup 7}Li axions in a LiF crystal gave the best limit for the mass of {sup 7}Li axions (< 8.6 keV). Rare alpha decay of {sup 190}Pt to the first excited level of {sup 186}Os(E{sub exc}?=?137.2keV) was observed for the first time.

  11. Separation of technetium and rare earth metals for co-decontamination process

    SciTech Connect (OSTI)

    Riddle, Catherine; Martin, Leigh

    2015-05-01

    Poster. In the US there are several technologies under consideration for the separation of the useful components in used nuclear fuel. One such process is the co-decontamination process to separate U, Np and Pu in a single step and produce a Np/ Pu and a U product stream. Although the behavior of the actinide elements is reasonably well defined in this system, the same is not true for the fission products, mainly Zr, Mo, Ru and Tc. As these elements are cationic and anionic they may interact with each other to extract in a manner not predicted by empirical models such as AMUSE. This poster presentation will discuss the initial results of batch contact testing under flowsheet conditions and as a function of varying acidity and flowsheet conditions to optimize recovery of Tc and minimize extraction of Mo, Zr and Ru with the goal of developing a better understanding of the behavior of these elements in the co-decontamination process.

  12. Chemical production processes and systems

    DOE Patents [OSTI]

    Holladay, Johnathan E; Muzatko, Danielle S; White, James F; Zacher, Alan H

    2015-04-21

    Hydrogenolysis systems are provided that can include a reactor housing an Ru-comprising hydrogenolysis catalyst and wherein the contents of the reactor is maintained at a neutral or acidic pH. Reactant reservoirs within the system can include a polyhydric alcohol compound and a base, wherein a weight ratio of the base to the compound is less than 0.05. Systems also include the product reservoir comprising a hydrogenolyzed polyhydric alcohol compound and salts of organic acids, and wherein the moles of base are substantially equivalent to the moles of salts or organic acids. Processes are provided that can include an Ru-comprising catalyst within a mixture having a neutral or acidic pH. A weight ratio of the base to the compound can be between 0.01 and 0.05 during exposing.

  13. Thermoelastic study of nanolayered structures using time-resolved X-ray diffraction at high repetition rate

    SciTech Connect (OSTI)

    Navirian, H. A.; Schick, D. Leitenberger, W.; Bargheer, M.; Gaal, P.; Shayduk, R.

    2014-01-13

    We investigate the thermoelastic response of a nanolayered sample composed of a metallic SrRuO{sub 3} electrode sandwiched between a ferroelectric Pb(Zr{sub 0.2}Ti{sub 0.8})O{sub 3} film with negative thermal expansion and a SrTiO{sub 3} substrate. SrRuO{sub 3} is rapidly heated by fs-laser pulses with 208?kHz repetition rate. Diffraction of X-ray pulses derived from a synchrotron measures the transient out-of-plane lattice constant c of all three materials simultaneously from 120?ps to 5??s with a relative accuracy up to ?c/c?=?10{sup ?6}. The in-plane propagation of sound is essential for understanding the delayed out-of-plane compression of Pb(Zr{sub 0.2}Ti{sub 0.8})O{sub 3}.

  14. An Organometallic Future in Green and Energy Chemistry?

    SciTech Connect (OSTI)

    Crabtree, Robert H

    2011-01-10

    The title topic is reviewed with selected examples taken from recent work, such as: the 'hydrogen borrowing' amine alkylation by alcohols; the dehydrogenative coupling of amine and alcohol to give amide; Ru complexes as solar cell photosensitizers; Ir organometallics as water oxidation catalyst precursors and as OLED emitters; as well as recent hydrogen storage strategies involving catalytic dehydrogenation of ammonia-borane and of organic heterocycles.

  15. Barrier layer for a MCrAlY basecoat superalloy combination

    DOE Patents [OSTI]

    Sabol, Stephen M. (Orlando, FL); Goedjen, John G. (Oviedo, FL); Vance, Steven J. (Orlando, FL)

    2001-01-01

    A turbine component contains a substrate (22) such as a superalloy, a basecoat (24) of the type MCrAlY, and a continuous barrier layer (28) between the substrate and basecoat, where the barrier layer (28) is made of an alloy of (Re, Ta, Ru, Os)X, where X can be Ni, Co or their mixture, where the barrier layer is at least 2 micrometers thick and substantially prevents materials from both the basecoat and substrate from migrating through it.

  16. Carbon Monoxide Tolerant Electrocatalyst with Low Platinum Loading and a

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

    Process for its Preparation - Energy Innovation Portal Startup America Startup America Hydrogen and Fuel Cell Hydrogen and Fuel Cell Find More Like This Return to Search Carbon Monoxide Tolerant Electrocatalyst with Low Platinum Loading and a Process for its Preparation Brookhaven National Laboratory Contact BNL About This Technology Publications: PDF Document Publication Pt Submonolayers on Ru Nanoparticles: A Novel Low Pt Loading, High CO Tolerance Fuel Cell Electrocatalyst (173 KB)

  17. YIA3 - Rodriguez-López > Young Investigator Program > Research > The

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

    Energy Materials Center at Cornell Tuning the ORR Electrocatalytic Activity via Controllably Induced Strain With Joaquin Rodriguez-López (Abruña) and Manuel Plaza (Brock), proposed is a novel approach consisting on the use of a piezoelectric platform on which thin epitaxial layers of Pt and Ru will be grown and strained in order to manipulate their electrocatalytic properties towards the Oxygen Reduction Reaction. We anticipate the applied strain will impact the electronic structure of the

  18. Electrocatalyst for Oxygen Reduction with Reduced Platinum Oxidation and

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

    Dissolution Rates - Energy Innovation Portal Electrocatalyst for Oxygen Reduction with Reduced Platinum Oxidation and Dissolution Rates Brookhaven National Laboratory Contact BNL About This Technology Publications: PDF Document Publication Electrodeposition of Pt onto RuO2 (110) Single-crystal Surface. (437 KB) Scanning tunneling micrograph showing atoms of platinum on an oxide surface. Scanning tunneling micrograph showing atoms of platinum on an oxide surface. Technology Marketing Summary

  19. Electrocatalyst for Oxygen Reduction with Reduced Platinum Oxidation and

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

    Dissolution Rates - Energy Innovation Portal Oxygen Reduction with Reduced Platinum Oxidation and Dissolution Rates Brookhaven National Laboratory Contact BNL About This Technology Publications: PDF Document Publication Electrodeposition of Pt onto RuO2 (110) Single-Crystal Surface (437 KB) <p> Results of a density functional theory calculation of atomic positions of platinum on an oxide surface, showing good agreement with experimental results.</p> Results of a density

  20. Emerging Technology for Measuring Atmospheric Aerosol Properties

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

    Technology for Measuring Atmospheric Aerosol Properties Bruce Gandrud Greg Kok Droplet Measurement Technologies Darrel Baumgardner Centro de Ciencias de la Atmósfera Universidad Nacional Autónoma de México Acknowledgements * The DMT staff * Bob Bluth and Haflidi Jonsson * Pat Arnott * Greg Roberts and Thanos Nenes * Dave Fahey, Shuka Schwarz and Ru-Shan Gao * NSF, NASA, ONR, NOAA and DOE Introducing Droplet Measurement Technologies * Founded in 1987 * Specializing in aerosol and cloud

  1. Concentration and removal of tritium and/or deuterium from water contaminated with tritium and/or deuterium

    DOE Patents [OSTI]

    Meyer, Thomas J. (Chapel Hill, NC); Narula, Poonam M. (Carrboro, NC)

    2001-01-01

    Concentration of tritium and/or deuterium that is a contaminant in H.sub.2 O, followed by separation of the concentrate from the H.sub.2 O. Employed are certain metal oxo complexes, preferably with a metal from Group VIII. For instance, [Ru.sup.IV (2,2',6',2"-terpyridine)(2,2'-bipyridine)(O)](ClO.sub.4).sub.2 is very suitable.

  2. Revealing a steroid receptor ligand as a unique PPAR[gamma] agonist

    Office of Scientific and Technical Information (OSTI)

    (Journal Article) | SciTech Connect Revealing a steroid receptor ligand as a unique PPAR[gamma] agonist Citation Details In-Document Search Title: Revealing a steroid receptor ligand as a unique PPAR[gamma] agonist Peroxisome proliferator-activated receptor gamma (PPAR{gamma}) regulates metabolic homeostasis and is a molecular target for anti-diabetic drugs. We report here the identification of a steroid receptor ligand, RU-486, as an unexpected PPAR{gamma} agonist, thereby uncovering a

  3. Stabilization of Pt monolayer catalysts under harsh conditions of fuel

    Office of Scientific and Technical Information (OSTI)

    cells (Journal Article) | SciTech Connect Stabilization of Pt monolayer catalysts under harsh conditions of fuel cells Citation Details In-Document Search This content will become publicly available on May 21, 2016 Title: Stabilization of Pt monolayer catalysts under harsh conditions of fuel cells We employed density functional theory (DFT) to explore the stability of core (M = Cu, Ru, Rh, Pd, Ag, Os, Ir, Au)-shell (Pt) catalysts under harsh conditions, including solutions and reaction

  4. The effect of high-level waste glass composition on spinel liquidus

    Office of Scientific and Technical Information (OSTI)

    temperature (Journal Article) | SciTech Connect Journal Article: The effect of high-level waste glass composition on spinel liquidus temperature Citation Details In-Document Search Title: The effect of high-level waste glass composition on spinel liquidus temperature Spinel crystals precipitate in high-level waste glasses containing Fe, Cr, Ni , Mn, Zn, and Ru. The liquidus temperature (TL) of spinel as the primary crystallization phase is a function of glass composition and the spinel

  5. Nuclear Data Sheets for A = 88

    SciTech Connect (OSTI)

    McCutchan, E.A.; Sonzogni, A.A.

    2014-01-15

    The experimental results from the various reaction and radioactive decay studies leading to nuclides in the A=88 mass chain have been reviewed. Nuclides ranging from Ge (Z=32) to Ru (Z=44) are included. For these nuclei, level and decay schemes, as well as tables of nuclear properties, are given. This work supersedes the previous evaluation of the data on these nuclides (G. Mukherjee, A.A. Sonzogni Nucl.Data Sheets 105, 419 (2005))

  6. Ionic Liquid–Solute Interactions Studied by 2D NOE NMR Spectroscopy

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

    Khatun, Sufia; Castner, Edward W.

    2014-11-26

    Intermolecular interactions between a Ru²⁺(bpy)₃ solute and the anions and cations of four different ionic liquids (ILs) are investigated by 2D NMR nuclear Overhauser effect (NOE) techniques, including {¹H-¹⁹F} HOESY and {¹H-¹H} ROESY. Four ILs are studied, each having the same bis(trifluoromethylsulfonyl)amide anion in common. Two of the ILs have aliphatic 1-alkyl-1-methylpyrrolidinium cations, while the other two ILs have aromatic 1-alkyl-3-methylimidazolium cations. ILs with both shorter (butyl) and longer (octyl or decyl) cationic alkyl substituents are studied. NOE NMR results suggest that the local environment of IL anions and cations near the Ru²⁺(bpy)₃ solute is rather different from the bulkmore » IL structure. The solute-anion and solute-cation interactions are significantly different both for ILs with short vs long alkyl tails and for ILs with aliphatic vs aromatic cation polar head groups. In particular, the solute-anion interactions are observed to be about 3 times stronger for the cations with shorter alkyl tails relative to the ILs with longer alkyl tails. The Ru²⁺(bpy)₃ solute interacts with both the polar head and the nonpolar tail groups of the 1- butyl-1-methylpyrrolidinium cation but only with the nonpolar tail groups of the 1-decyl-1-methylpyrrolidinium cation.« less

  7. Can CO-tolerant Anodes be Economically Viable for PEMFC Applications with Reformates?

    SciTech Connect (OSTI)

    He, P.; Zhang, Y.; Ye., S.; Wang, J. X.

    2014-10-05

    Several years ago, the answer to this question was negative based on the criteria for an anode with <0.1 mg cm-2 of platinum group metals to perform similarly without and with 50 ppm CO in hydrogen proton exchange membrane fuel cells (PEMFCs). Now, with the amount of CO impurities reduced to 10 ppm in reformates, a <1% performance loss with a 1.5% air-bleed has become a reasonable target. The CO-tolerant catalyst also needs to be dissolution resistant up to 0.93 V, viz., the potential experienced at the anode during startup and shutdown of the fuel cells. We recently demonstrated our ability to simultaneously enhance activity and stability by using single crystalline Ru@Pt core-shell nanocatalysts. Here, we report that the performance target with reformates was met using bilayer-thick Ru@Pt core-shell nanocatalysts with 0.047 mg cm-2 Pt and 0.024 mg cm-2 Ru loading, supporting a positive prognosis for the economically viable use of reformates in PEMFC applications.

  8. Quantitative analysis of electron energy loss spectra and modelling of optical properties of multilayer systems for extreme ultraviolet radiation regime

    SciTech Connect (OSTI)

    Gusenleitner, S.; Hauschild, D.; Reinert, F.; Handick, E.

    2014-03-28

    Ruthenium capped multilayer coatings for use in the extreme ultraviolet (EUV) radiation regime have manifold applications in science and industry. Although the Ru cap shall protect the reflecting multilayers, the surface of the heterostructures suffers from contamination issues and surface degradation. In order to get a better understanding of the effects of these impurities on the optical parameters, reflection electron energy loss spectroscopy (REELS) measurements of contaminated and H cleaned Ru multilayer coatings were taken at various primary electron beam energies. Experiments conducted at low primary beam energies between 100?eV and 1000?eV are very surface sensitive due to the short inelastic mean free path of the electrons in this energy range. Therefore, influences of the surface condition on the above mentioned characteristics can be appraised. In this paper, it can be shown that carbon and oxide impurities on the mirror surface decrease the transmission of the Ru cap by about 0.75% and the overall reflectance of the device is impaired as the main share of the non-transmitted EUV light is absorbed in the contamination layer.

  9. Ruthenium trisbipyridine as a candidate for gas-phase spectroscopic studies in a Fourier transform mass spectrometer

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

    Scott, Jill R.; Ham, Jason E.; Durham, Bill; Tremblay, Paul L.

    2004-01-01

    Metal polypyridines are excellent candidates for gas-phase optical experiments where their intrinsic properties can be studied without complications due to the presence of solvent. The fluorescence lifetimes of [Ru(bpy) 3 ] 1+ trapped in an optical detection cell within a Fourier transform mass spectrometer were obtained using matrix-assisted laser desorption/ionization to generate the ions with either 2,5-dihydroxybenzoic acid (DHB) or sinapinic acid (SA) as matrix. All transients acquired, whether using DHB or SA for ion generation, were best described as approximately exponential decays. The rate constant for transients derived using DHB as matrix was 4×10 7 s −1 ,more » while the rate constant using SA was 1×10 7 s −1 . Some suggestions of multiple exponential decay were evident although limited by the quality of the signals. Photodissociation experiments revealed that [Ru(bpy) 3 ] 1+ generated using DHB can decompose to [Ru(bpy) 2 ] 1+ , whereas ions generated using SA showed no decomposition. Comparison of the mass spectra with the fluorescence lifetimes illustrates the promise of incorporating optical detection with trapped ion mass spectrometry techniques.« less

  10. Buffer layers on metal alloy substrates for superconducting tapes

    DOE Patents [OSTI]

    Jia, Quanxi; Foltyn, Stephen R.; Arendt, Paul N.; Groves, James R.

    2004-06-29

    An article including a substrate, a layer of an inert oxide material upon the surface of the substrate, a layer of an amorphous oxide or oxynitride material upon the inert oxide material layer, a layer of an oriented cubic oxide material having a rock-salt-like structure upon the amorphous oxide material layer, and a layer of a SrRuO.sub.3 buffer material upon the oriented cubic oxide material layer is provided together with additional layers such as a HTS top-layer of YBCO directly upon the layer of a SrRuO.sub.3 buffer material layer. With a HTS top-layer of YBCO upon at least one layer of the SrRuO.sub.3 buffer material in such an article, J.sub.c 's of up to 1.3.times.10.sup.6 A/cm.sup.2 have been demonstrated with projected IC's of over 200 Amperes across a sample 1 cm wide.

  11. Can CO-tolerant Anodes be Economically Viable for PEMFC Applications with Reformates?

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

    He, P.; Zhang, Y.; Ye., S.; Wang, J. X.

    2014-10-05

    Several years ago, the answer to this question was negative based on the criteria for an anode with <0.1 mg cm-2 of platinum group metals to perform similarly without and with 50 ppm CO in hydrogen proton exchange membrane fuel cells (PEMFCs). Now, with the amount of CO impurities reduced to 10 ppm in reformates, a <1% performance loss with a 1.5% air-bleed has become a reasonable target. The CO-tolerant catalyst also needs to be dissolution resistant up to 0.93 V, viz., the potential experienced at the anode during startup and shutdown of the fuel cells. We recently demonstrated ourmore » ability to simultaneously enhance activity and stability by using single crystalline Ru@Pt core-shell nanocatalysts. Here, we report that the performance target with reformates was met using bilayer-thick Ru@Pt core-shell nanocatalysts with 0.047 mg cm-2 Pt and 0.024 mg cm-2 Ru loading, supporting a positive prognosis for the economically viable use of reformates in PEMFC applications.« less

  12. The Photosynthetic Cycle

    DOE R&D Accomplishments [OSTI]

    Calvin, Melvin

    1955-03-21

    A cyclic sequence of transformations, including the carboxylation of RuDP (ribulose diphosphate) and its re-formation, has been deduced as the route for the creation of reduced carbon compounds in photosynthetic organisms. With the demonstration of RuDP as substrate for the carboxylation in a cell-free system, each of the reactions has now been carried out independently in vitro. Further purification of this last enzyme system has confirmed the deduction that the carboxylation of RuDP leads directly to the two molecules of PGA (phosphoglyceric acid) involving an internal dismutation and suggesting the name "carboxydismutase" for the enzyme. As a consequence of this knowledge of each of the steps in the photosynthetic CO{sub 2} reduction cycle, it is possible to define the reagent requirements to maintain it. The net requirement for the reduction of one molecule of CO{sub 2} is four equivalents of [H]and three molecules of ATP (adenine triphosphate). These must ultimately be supplied by the photochemical reaction. Some possible ways in which this may be accomplished are discussed.

  13. Fragile structural transition in Mo3Sb7

    SciTech Connect (OSTI)

    Yan, Jiaqiang -Q.; McGuire, Michael A; May, Andrew F; Parker, David S.; Mandrus, D. G.; Sales, Brian C.

    2015-08-10

    Mo3Sb7 single crystals lightly doped with Cr, Ru, or Te are studied in order to explore the interplay between superconductivity, magnetism, and the cubic-tetragonal structural transition. The structural transition at 53 K is extremely sensitive to Ru or Te substitution which introduces additional electrons, but robust against Cr substitution. We observed no sign of a structural transition in superconducting Mo2.91Ru0.09Sb7 and Mo3Sb6.975Te0.025. In contrast, 3 at.% Cr doping only slightly suppresses the structural transition to 48 K while leaving no trace of superconductivity above 1.8 K. Analysis of magnetic properties suggests that the interdimer interaction in Mo3Sb7 is near a critical value and essential for the structural transition. Futhermore, all dopants suppress the superconductivity of Mo3Sb7. The tetragonal structure is not necessary for superconductivity.

  14. ATTACHMENT J.1 - APPENDIX A

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

    36 Contract No. DE-AC02-09CH11466 Section J - Appendix A J-A-1 ATTACHMENT J.1 APPENDIX A ADVANCED UNDERSTANDINGS ON HUMAN RESOURCES Applicable to the Operation of Princeton Plasma Physics Laboratory Contract No. DE-AC02-09CH11466 Modification No. 0136 Contract No. DE-AC02-09CH11466 Section J - Appendix A J-A-2 Table of Contents Appendix A PRINCETON PLASMA PHYSICS LABORATORY ADVANCE UNDERSTANDING ON HUMAN RESOURCES I. INTRODUCTION II. HUMAN RESOURCES STRATEGY, BUSINESS PLANNING AND PERFORMANCE

  15. Direct Measurement of Adsorbed Gas Redistribution in Metal-Organic

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

    Frameworks | Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Direct Measurement of Adsorbed Gas Redistribution in Metal-Organic Frameworks Previous Next List Ying-Pin Chen, Yangyang Liu, Dahuan Liu, Mathieu Bosch, and Hong-Cai Zhou, J. Am. Chem. Soc., 137, 2919-2930 (2015) DOI:10.1021/ja5103579 ja-2014-103579_0016 Abstract: Knowledge about the interactions between gas molecules and adsorption sites is essential to customize metal-organic frameworks (MOFs) as

  16. Search for: All records | SciTech Connect

    Office of Scientific and Technical Information (OSTI)

    Switch to Detail View for this search SciTech Connect Search Results Page 1 of 1 Search for: All records Creators/Authors contains: "Santanello, JA" × Sort by Relevance Sort by Date (newest first) Sort by Date (oldest first) Sort by Relevance « Prev Next » Everything1 Electronic Full Text1 Citations0 Multimedia0 Datasets0 Software0 Filter Results Filter by Subject Filter by Author Ferguson, CR (1) Gentine, P (1) Santanello, JA (1) Save Results Save this search to My Library Excel

  17. A Highly Stable Porphyrinic Zirconium Metal-Organic Framework with shp-a

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

    Topology | Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Highly Stable Porphyrinic Zirconium Metal-Organic Framework with shp-a Topology Previous Next List Dawei Feng, Zhi-Yuan Gu, Ying-Pin Chen, Jihye Park, Zhangwen Wei, Yujia Sun, Mathieu Bosch, Shuai Yuan, and Hong-Cai Zhou, J. Am. Chem. Soc., 136, 17714-17717 (2014) DOI: 10.1021/ja510525s ja-2014-10525s_0005 Abstract: Through a kinetically controlled synthetic process, we synthesized PCN-223, a new

  18. A Series of Highly Stable Mesoporous Metalloporphyrin Fe-MOFs | Center for

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

    Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Series of Highly Stable Mesoporous Metalloporphyrin Fe-MOFs Previous Next List Kecheng Wang, Dawei Feng, Tian-Fu Liu, Jie Su, Shuai Yuan, Ying-Pin Chen, Mathieu Bosch, Xiaodong Zou, and Hong-Cai Zhou, J. Am. Chem. Soc. 136, 13983-13986 (2014) DOI: 10.1021/ja507269n ja-2014-07269n_0005 Abstract: A series of mesoporous metalloporphyrin Fe-MOFs, namely PCN-600(M) (M = Mn, Fe, Co, Ni, Cu), have been synthesized using the

  19. West Foster Creek 2007 Follow-up Habitat Evaluation Procedures (HEP) Report.

    SciTech Connect (OSTI)

    Ashley, Paul R.

    2008-02-01

    A follow-up habitat evaluation procedures (HEP) analysis was conducted on the West Foster Creek (Smith acquisition) wildlife mitigation site in May 2007 to determine the number of additional habitat units to credit Bonneville Power Administration (BPA) for providing funds to enhance and maintain the project site as partial mitigation for habitat losses associated with construction of Grand Coulee Dam. The West Foster Creek 2007 follow-up HEP survey generated 2,981.96 habitat units (HU) or 1.51 HUs per acre for a 34% increase (+751.34 HUs) above baseline HU credit (the 1999 baseline HEP survey generated 2,230.62 habitat units or 1.13 HUs per acre). The 2007 follow-up HEP analysis yielded 1,380.26 sharp-tailed grouse (Tympanuchus phasianellus) habitat units, 879.40 mule deer (Odocoileus hemionus) HUs, and 722.29 western meadowlark (Sturnella neglecta) habitat units. Mule deer and sharp-tailed grouse habitat units increased by 346.42 HUs and 470.62 HUs respectively over baseline (1999) survey results due largely to cessation of livestock grazing and subsequent passive restoration. In contrast, the western meadowlark generated slightly fewer habitat units in 2007 (-67.31) than in 1999, because of increased shrub cover, which lowers habitat suitability for that species.

  20. The NUHM? after LHC Run 1

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

    Buchmueller, O.; Cavanaugh, R.; Citron, M.; De Roeck, A.; Dolan, M. J.; Ellis, J. R.; Flcher, H.; Heinemeyer, S.; Malik, S.; Marrouche, J.; et al

    2014-12-17

    We make a frequentist analysis of the parameter space of the NUHM2, in which the soft supersymmetry (SUSY)-breaking contributions to the masses of the two Higgs multiplets, m2Hu,d, vary independently from the universal soft SUSY-breaking contributions m20 to the masses of squarks and sleptons. Our analysis uses the MultiNest sampling algorithm with over 4 10? points to sample the NUHM2 parameter space. It includes the ATLAS and CMS Higgs mass measurements as well as the ATLAS search for supersymmetric jets + /ET signals using the full LHC Run 1 data, the measurements of BR(Bs?????) by LHCb and CMS togethermorewith other B-physics observables, electroweak precision observables and the XENON100 and LUX searches for spin-independent dark-matter scattering. We find that the preferred regions of the NUHM2 parameter space have negative SUSY-breaking scalar masses squared at the GUT scale for squarks and sleptons, m20 2Hu 2Hd 2 = 32.5 with 21 degrees of freedom (dof) in the NUHM2, to be compared with ?2/dof = 35.0/23 in the CMSSM, and ?2/dof = 32.7/22 in the NUHM1. We find that the one-dimensional likelihood functions for sparticle masses and other observables are similar to those found previously in the CMSSM and NUHM1.less

  1. A bias assessment for in-situ ultrasonic hardness testing of steel fasteners

    SciTech Connect (OSTI)

    Ratiu, M.D.; Moisidis, N.T.

    1996-12-31

    The problem of sub-standard and/or mismarked installed fasteners has received broad attention in quality control standard and largely discussed in technical publications and in public press. The Industrial Fastener Institute (IFI, 1988) released a detailed documented inspection program to ensure the delivery and the usage of appropriate fasteners, imposing mandatory traceability of the manufacturer marking and quality certification reports. For the billions of the existing installed bolts without reliable lot identification and/or quality certification, IFI recommends in-situ control using non-destructive testing and/or hardness measurements with portable testers. The ultrasonic indentation hardness (HU) with the Krautkramer portable tester--operating on the ultrasonic contact impedance method described by Kleesattel (Jankowski D.M., 1990)--is one of the more frequent equipment used in the in-situ control of steel products and machine elements. The advantages of the ultrasonic tester--low weight, direct hardness reading, easy to operate--have determined to be included also for the in-situ control of installed fasteners. However, the bias of this method was not analyzed; the practiced calibration of standard blocks is not conclusive for the comparison of the in-situ measured hardness with the standard reference value obtained using laboratory Rockwell hardness (HR) tester. The purpose of this paper is to point out the specific consistent/systematic differences between HU results and the reference standard HR, which defines the ruggedness and the bias of the ultrasonic method.

  2. LMO4 mRNA stability is regulated by extracellular ATP in F11 cells

    SciTech Connect (OSTI)

    Chen, Hsiao-Huei . E-mail: hchen@uottawa.ca; Xu, Jin; Safarpour, Farzaneh; Stewart, Alexandre F.R.

    2007-05-25

    LIM only domain protein 4 (LMO4) interacts with many signaling and transcription factors to regulate cellular proliferation, differentiation and plasticity. In Drosophila, mutations in the 3' untranslated region (UTR) of the homologue dLMO cause a gain of function by increasing mRNA stability. LMO4 3'UTR contains several AU-rich elements (ARE) and is highly conserved among vertebrates, suggesting that RNA destabilizing mechanisms are evolutionarily conserved. Here, we found that extracellular ATP stabilized LMO4 mRNA in F11 cells. The LMO4 3'UTR added to a luciferase reporter markedly reduced reporter activity under basal conditions, but increased activity with ATP treatment. Two ARE motifs were characterized in the LMO4 3'UTR. ATP increased binding of HuD protein to ARE1. ARE1 conferred ATP and HuD-dependent mRNA stabilization. In contrast, sequences flanking ARE2 bound CUGBP1 and ATP destabilized this complex. Thus, our results suggest that ATP modulates recruitment of RNA-binding proteins to the 3'UTR to stabilize LMO4 mRNA.

  3. NEUTRALIZATIONS OF HIGH ALUMINUM LOW URANIUM USED NUCLEAR FUEL SOLUTIONS CONTAINING GADOLINIUM AS A NEUTRON POISON

    SciTech Connect (OSTI)

    Taylor-Pashow, K.

    2011-06-08

    H-Canyon will begin dissolving High Aluminum - Low Uranium (High Al/Low U) Used Nuclear Fuel (UNF) following approval by DOE which is anticipated in CY2011. High Al/Low U is an aluminum/enriched uranium UNF with small quantities of uranium relative to aluminum. The maximum enrichment level expected is 93% {sup 235}U. The High Al/Low U UNF will be dissolved in H-Canyon in a nitric acid/mercury/gadolinium solution. The resulting solution will be neutralized and transferred to Tank 39H in the Tank Farm. To confirm that the solution generated could be poisoned with Gd, neutralized, and discarded to the Savannah River Site (SRS) high level waste (HLW) system without undue nuclear safety concerns the caustic precipitation of simulant solutions was examined. Experiments were performed with three simulant solutions representative of the H-Canyon estimated concentrations in the final solutions after dissolution. The maximum U, Gd, and Al concentration were selected for testing from the range of solution compositions provided. Simulants were prepared in three different nitric acid concentrations, ranging from 0.5 to 1.5 M. The simulant solutions were neutralized to four different endpoints: (1) just before a solid phase was formed (pH 3.5-4), (2) the point where a solid phase was obtained, (3) 0.8 M free hydroxide, and (4) 1.2 M free hydroxide, using 50 wt % sodium hydroxide (NaOH). The settling behavior of the neutralized solutions was found to be slower compared to previous studies, with settling continuing over a one week period. Due to the high concentration of Al in these solutions, precipitation of solids was observed immediately upon addition of NaOH. Precipitation continued as additional NaOH was added, reaching a point where the mixture becomes almost completely solid due to the large amount of precipitate. As additional NaOH was added, some of the precipitate began to redissolve, and the solutions neutralized to the final two endpoints mixed easily and had expected densities of typical neutralized waste. Based on particle size and scanning electron microscopy analyses, the neutralized solids were found to be homogeneous and less than 20 microns in size. The majority of solids were less than 4 microns in size. Compared to previous studies, a larger percentage of the Gd was found to precipitate in the partially neutralized solutions (at pH 3.5-4). In addition the Gd:U mass ratio was found to be at least 1.0 in all of the solids obtained after partial or full neutralization. The hydrogen to U (H:U) molar ratios for two accident scenarios were also determined. The first was for transient neutralization and agitator failure. Experimentally this scenario was determined by measuring the H:U ratio of the settled solids. The minimum H:U molar ratio for solids from fully neutralized solutions was 388:1. The second accident scenario is for the solids drying out in an unagitiated pump box. Experimentally, this scenario was determined by measuring the H:U molar ratio in centrifuged solids. The minimum H:U atom ratios for centrifuged precipitated solids was 250:1. It was determined previously that a 30:1 H:Pu atom ratio was sufficient for a 1:1 Gd:Pu mass ratio. Assuming a 1:1 equivalence with {sup 239}Pu, the results of these experiments show Gd is a viable poison for neutralizing U/Gd solutions with the tested compositions.

  4. CATALYTIC INTERACTIONS OF RHODIUM, RUTHENIUM, AND MERCURY DURING SIMULATED DWPF CPC PROCESSING WITH HYDROGEN GENERATION

    SciTech Connect (OSTI)

    Koopman, D

    2008-10-09

    Simulations of the Defense Waste Processing Facility (DWPF) Chemical Processing Cell (CPC) vessels were performed as part of the ongoing investigation into catalytic hydrogen generation. Rhodium, ruthenium, and mercury have been identified as the principal elemental factors affecting the peak hydrogen generation rate in the DWPF Sludge Receipt and Adjustment Tank (SRAT) for a given acid addition. The primary goal of this study is to identify any significant interactions between the three factors. Noble metal concentrations were similar to recent sludge batches. Rh ranged from 0.0026-0.013% and Ru ranged from 0.010-0.050% in the dried sludge solids, while initial Hg ranged from 0.5-2.5 wt%. An experimental matrix was developed to ensure that the existence of statistically significant two-way interactions could be determined without confounding of the main effects with the two-way interaction effects. The nominal matrix design consisted of twelve SRAT cycles. Testing included: a three factor (Rh, Ru, and Hg) study at two levels per factor (eight runs), two duplicate midpoint runs, and two additional replicate runs to assess reproducibility away from the midpoint. Midpoint testing can identify potential quadratic effects from the three factors. A single sludge simulant was used for all tests. Acid addition was kept effectively constant except to compensate for variations in the starting mercury concentration. Six Slurry Mix Evaporator (SME) cycles were performed to supplement the SME hydrogen generation database. Some of the preliminary findings from this study include: (1) Rh was linked to the maximum SRAT hydrogen generation rate in the first two hours after acid addition in preliminary statistical modeling. (2) Ru was linked conclusively to the maximum SRAT hydrogen generation rate in the last four hours of reflux in preliminary statistical modeling. (3) Increasing the ratio of Hg/Rh shifted the noble metal controlling the maximum SRAT hydrogen generation rate from Rh to Ru when Ru was at its fission yield ratio to Rh. (4) The inhibiting effect of Hg on hydrogen generation apparently does not require much mercury in terms of moles Hg/mole Rh (or Ru). Once the initial impact is realized, the benefit of additional Hg in reducing the hydrogen generation rate was minimal. Sludge Batch 3 and 4 simulant test data confirm this. (5) Low Hg runs do not necessarily bound high Hg runs for the maximum hydrogen generation rate over the full SRAT-SME cycle. Two of the four Rh-Ru combinations had a cross-over point where the hydrogen generation rate in high Hg run went from always lower to always higher than in the low Hg run. One cross-over was in the SRAT and one was in the SME. Maximum hydrogen generation rates in the high Hg runs could exceed the maximum hydrogen generation rates from the low Hg runs. (6) SME cycle hydrogen generation rates during the first decon canister dewatering period were similar to the rates at the end of the SRAT reflux period. (7) Corrosion of 400 series stainless steel shafts significantly impacted the hydrogen generation rate in two runs. (8) Preliminary data analysis indicates that several additional SRAT runs are needed to replace suspect data in the original set of twelve runs. A more detailed statistical evaluation is expected to occur once replacement run data from several additional SRAT runs has been obtained.

  5. A=18B (1978AJ03)

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

    78AJ03) (Not illustrated) 18B has not been observed: it is predicted to have a mass excess of 53.85 MeV. 18B is then unstable with respect to 17B + n by 1.39 MeV (1976JA23; and see (1976WA18)). See also (1974TH01) and (1975BE31; theor.

  6. A=18B (1983AJ01)

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

    3AJ01) (Not illustrated) 18B has not been observed: it is predicted to have a mass excess of 53.85 MeV. 18B is then unstable with respect to 17B + n by 1.4 MeV (1976JA23

  7. A=18Na (1978AJ03)

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

    78AJ03) (Not illustrated) 18Na has not been observed: its atomic mass excess has been estimated to be 25.32 MeV: it is then unbound with respect to proton emission by 1.55 MeV (1977WA08). See also (1976JA23, 1976WA1E

  8. A=18Na (72AJ02)

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

    72AJ02) (Not illustrated) A calculation using an isobaric mass formula predicts that the mass excess of 18Na is 25.4 ± 0.4 MeV (KE66C): 18Na is then unbound with respect to proton emission by 1.6 MeV. See also (JA65C

  9. A=13C (1986AJ01)

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

    6AJ01) (See Energy Level Diagrams for 13C) GENERAL: See also (1981AJ01) and Table 13.4 Table of Energy Levels (in PDF or PS). Nuclear models: (1982KU1B, 1983JA09, 1983SH38,...

  10. Revised Manuscript

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

    and E.W. Titterton, Nucl. Phys. 44 (1963) 453 1963KE1B Kelson, Phys. Rev. 132 (1963) 2189 1963KU05 J.A. Kuehner, J.D. Prentice and E. Almqvist, Phys. Lett. 4 (1963) 332 1963KU19...

  11. Revised Manuscript

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

    441 1979HA1M Harwood and Crawley, Bull. Amer. Phys. Soc. 24 (1979) 817 1979HE1F K.T. Hecht and W. Zahn, Nucl. Phys. A313 (1979) 77 1979JA22 L. Jarczyk, B. Kamys, J. Okolowicz,...

  12. PAPERS PUBLISHED / 2006-2007 Progress in Research / Cyclotron...

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

    J.A. Caggiano, J.E. Crawford, C. Deibel, J.P. Green, S. Gulick, J.C. Hardy, A.A. Hecht, J.K.P. Lee, A.F. Levand, R. Lewis, B.F. Lundgren, P.D. Parker, G. Savard, N.D....

  13. ABSTRACTS OF PAPERS PUBLISHED

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

    G. Savard, J.A. Clark, F. Buchinger, J.E. Crawford, S. Gulick, J.C. Hardy, A.A. Hecht, V.E. Iacob, J.K.P. Lee, A.F. Levand, B.F. Lundgren, N. Scielzo, K.S. Sharma, I....

  14. Revised Manuscript

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

    J. Havloujian, G. Ravalli and B.M. Spicer, Aust. J. Phys. 28 (1975) 247 1975HE10 K.T. Hecht and D. Braunschweig, Nucl. Phys. A244 (1975) 365 1975HI02 H.R. Hiddleston, J.A. Aymar...

  15. A=6Li (74AJ01)

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

    SU70C, ZO70, CO71J, JA71D, LO71, NO71C, LE72, LO72M, VE72E, HA73M, JO73D, KU73D). Cluster and -particle model: (NE65E, HA66C, AL67C, BA67DD, HA67H, LO67B, SI67D, TH67E,...

  16. A=9Be (1979AJ01)

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

    PDF or PS). Shell model: (1975KU27, 1975SC1K, 1977CA08, 1977JA14, 1978BO31). and cluster models: (1974CH19, 1974GR42, 1974PA1B, 1975AB1E, 1975CH28, 1975KR1D, 1975RO1B,...

  17. A=10B (1979AJ01)

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

    Shell and deformed models: (1973BO1C, 1974BO29, 1974BO54, 1974BO1P, 1975DI04, 1977JA14). Cluster and -particle models: (1976GA34, 1977NA20, 1977OK1C). Special levels: (1974BO29,...

  18. A=18F (72AJ02)

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

    WA70U, AR71O, EL71, GU71I, HO71C, JA71D, LO71H, PE71, PR71D, QU71A, WI71B, KA72, LE72). Cluster, collective and deformed models:(KE64D, MA64HH, PI66A, RI66G, FE67A, PA67Q, EL68,...

  19. A=18Be (1978AJ03)

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

    of 78.43 MeV (1976JA23; and see (1976WA18)). 18Be is then unstable with respect to breakup into 16Be + 2n, 15Be + 3n, 14Be + 4n, 13Be + 5n, 12Be + 6n, 11Be + 7n and 10Be + 8n...

  20. A=20B (1978AJ03)

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

    excess is predicted to be 69.08 MeV (1974TH01). 20B is then unstable with respect to breakup into 19B + n by 0.9 MeV see 19B. See also (1976JA23, 1976WA18) and (1975BE31;...

  1. A=19Na (1978AJ03)

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

    Assuming the atomic mass excess listed above, 19Na(0) is unstable with respect to breakup into 18Ne + p by 320 13 keV. See also (1972CE1A, 1976BE1L, 1976JA23), (1975BE31,...

  2. A=18Be (1983AJ01)

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

    to have a mass excess of 78.43 MeV (1976JA23). 18Be is then unstable with respect to breakup into 16Be + 2n, 15Be + 3n, 14Be + 4n, 13Be + 5n, 12Be + 6n, 11Be + 7n and 10Be + 8n...

  3. Revised Manuscript

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

    24 (1961) 675 1961JA23 A. Jaidar, G. Lopez, M. Mazari and R. Dominguez, Rev. Mex. Fisica 10 (1961) 247 1961RO21 J.C. Roy and J.J. Hawton, Can. J. Phys. 39 (1961) 1528 1962AN11...

  4. Revised Manuscript

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

    26 (1961) 446 1961JA23 A. Jaidar, G. Lopez, M. Mazari and R. Dominguez, Rev. Mex. Fisica 10 (1961) 247 1961JO03 J.V. Jovanovich, E.D. Lambe, T.A. Pond and J.B. Reynolds, Bull....

  5. Center for Inverse Design: Publications

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

    prepared CsNiX3 (XCl, Br, I) A.D. Raw, J.A. Ibers, and K.R. Poeppelmeier, Journal of Solid State Chemistry 192, 34-37 (2012). DOI: 10.1016j.jssc.2012.03.037 Foundational:...

  6. Revised Manuscript

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

    M.B. Epstein and B.T. Wright, Nucl. Phys. A174 (1971) 161 1971JU05 J.A. Jungerman, F.P. Brady, W.J. Knox, T. Montgomery, M.R. McGie, J.L. Romero and Y. Ishizaki, Nucl. Instrum....

  7. RAMATION V=W Ot TOTS= t sAy VnoffZW COMM1 AV 10i90 2M3 AM=W V...

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

    0044896 JA3MS 8, CAM W 3 AU 1, 19 *TO GUN? RM PMMYE INMMAIM ar FMVUE PWV?Mh1 DW(8?TIC. URA ALI tu CI OMM)R IN THE 200 WU? ARMIt DID W1)N INYOL VAOITTI 3BI I TOB NO*"A...

  8. Repression of miR-17-5p with elevated expression of E2F-1 and c-MYC in non-metastatic hepatocellular carcinoma and enhancement of cell growth upon reversing this expression pattern

    SciTech Connect (OSTI)

    El Tayebi, H.M.; Omar, K.; Hegy, S.; El Maghrabi, M.; El Brolosy, M.; Hosny, K.A.; Esmat, G.; Abdelaziz, A.I.

    2013-05-10

    Highlights: The oncogenic miR-17-5p is downregulated in non-metastatic hepatocellular carcinoma patients. E2F-1 and c-MYC transcripts are upregulated in non-metastatic HCC patients. miR-17-5p forced overexpression inhibited E2F-1 and c-MYC expression in HuH-7 cells. miR-17-5p mimicking increased HuH-7 cell growth, proliferation, migration and colony formation. miR-17-5p is responsible for HCC progression among the c-MYC/E2F-1/miR-17-5p triad members. -- Abstract: E2F-1, c-MYC, and miR-17-5p is a triad of two regulatory loops: a negative and a positive loop, where c-MYC induces the expression of E2F-1 that induces the expression of miR-17-5p which in turn reverses the expression of E2F-1 to close the loop. In this study, we investigated this triad for the first time in hepatocellular carcinoma (HCC), where miR-17-5p showed a significant down-regulation in 23 non-metastatic HCC biopsies compared to 10 healthy tissues; however, E2F-1 and c-MYC transcripts were markedly elevated. Forced over-expression of miR-17-5p in HuH-7 cells resulted in enhanced cell proliferation, growth, migration and clonogenicity with concomitant inhibition of E2F-1 and c-MYC transcripts expressions, while antagomirs of miR-17-5p reversed these events. In conclusion, this study revealed a unique pattern of expression for miR-17-5p in non-metastatic HCC patients in contrast to metastatic HCC patients. In addition we show that miR-17-5p is the key player among the triad that tumor growth and spread.

  9. Wanaket Wildlife Area Management Plan : Five-Year Plan for Protecting, Enhancing, and Mitigating Wildlife Habitat Losses for the McNary Hydroelectric Facility.

    SciTech Connect (OSTI)

    Confederated Tribes of the Umatilla Indian Reservation Wildlife Program

    2001-09-01

    The Confederated Tribes of the Umatilla Indian Reservation (CTUIR) propose to continue to protect, enhance, and mitigate wildlife and wildlife habitat at the Wanaket Wildlife Area. The Wanaket Wildlife Area was approved as a Columbia River Basin Wildlife Mitigation Project by the Bonneville Power Administration (BPA) and Northwest Power Planning Council (NWPPC) in 1993. This management plan will provide an update of the original management plan approved by BPA in 1995. Wanaket will contribute towards meeting BPA's obligation to compensate for wildlife habitat losses resulting from the construction of the McNary Hydroelectric facility on the Columbia River. By funding the enhancement and operation and maintenance of the Wanaket Wildlife Area, BPA will receive credit towards their mitigation debt. The purpose of the Wanaket Wildlife Area management plan update is to provide programmatic and site-specific standards and guidelines on how the Wanaket Wildlife Area will be managed over the next five years. This plan provides overall guidance on both short and long term activities that will move the area towards the goals, objectives, and desired future conditions for the planning area. The plan will incorporate managed and protected wildlife and wildlife habitat, including operations and maintenance, enhancements, and access and travel management. Specific project objectives are related to protection and enhancement of wildlife habitats and are expressed in terms of habitat units (HU's). Habitat units were developed by the US Fish and Wildlife Service's Habitat Evaluation Procedures (HEP), and are designed to track habitat gains and/or losses associated with mitigation and/or development projects. Habitat Units for a given species are a product of habitat quantity (expressed in acres) and habitat quality estimates. Habitat quality estimates are developed using Habitat Suitability Indices (HSI). These indices are based on quantifiable habitat features such as vegetation height, shrub cover, or other parameters, which are known to provide life history requisites for mitigation species. Habitat Suitability Indices range from 0 to 1, with an HSI of 1 providing optimum habitat conditions for the selected species. One acre of optimum habitat provides one Habitat Unit. The objective of continued management of the Wanaket Wildlife Mitigation Area, including protection and enhancement of upland and wetland/wetland associated cover types, is to provide and maintain 2,334 HU's of protection credit and generate 2,495 HU's of enhancement credit by the year 2004.

  10. TH-A-BRF-03: Evaluation of Synthetic CTs Generated Using MR-SIM Data

    SciTech Connect (OSTI)

    Kim, J; Glide-Hurst, C; Doemer, A; Wen, N; Chett, I

    2014-06-15

    Purpose: To describe and evaluate a novel algorithm for generating synthetic CT images from MR-SIM data for dose calculations in MR-only treatment planning. Methods: A voxel-based weighted summation method was implemented to generate synthetic CT (synCT) images. MR data were acquired using Philips 1.0T Panorama high-field open MR-SIM. Retrospective patient data from seven prostate patients and one brain patient (three lesions) enrolled in an IRB-approved study were used. 3D T1-weighted fast field echo and 3D T2-weighted turbo spin echo sequences were utilized for all patients. A 3D balanced turbo field echo sequence using spectral presaturation with inversion recovery was acquired for prostate patients, but 3D ultra-short echo time (UTE)-DIXON was instead acquired for the brain patient to amplify bone signal for semi-automatic bone segmentation. Weight optimization was performed using a training subset of patients. HU value differences between planning CT and synCTs were analyzed using mean absolute error (MAE). Original patient CT-based treatment plans were mapped onto synCTs, dose was recalculated using original leaf motion and MU values, and DRRs were generated. Dosevolume metrics and gamma analysis were used for dosimetric evaluation. Results: Average whole-body MAE of synCTs across all patients was 75+12 HU. In prostate cancer patients, average HU difference between planning and synCTs was 0.9±1.0% for soft tissue structures and 4.3±2.5% for bony structures. DRRs were generated from synCTs and qualitatively showed good geometric agreement with planning CT-generated DRRs. D99, mean dose, and maximum dose to CTV calculated using the synCT remained within 1.2% of planning CT-based dose calculations. All gamma analysis evaluated at 2%/2mm dose difference/distance to agreement) pass rates were greater than 95% with an average of 99.9±0.1% for prostate patients and 98.4±2.2% for three brain lesions. Conclusion: SynCTs were generated with clinically acceptable accuracy comparable to planning CTs, enabling dose computations for MR-only simulation. Research supported in part by a grant from Philips HealthCare (Best, Netherlands)

  11. Transition Metal Catalyzed Hydroarylation of Multiple Bonds: Exploration of Second Generation Ruthenium Catalysts and Extension to Copper Systems

    SciTech Connect (OSTI)

    T. Brent Gunnoe

    2011-02-17

    Catalysts provide foundational technology for the development of new materials and can enhance the efficiency of routes to known materials. New catalyst technologies offer the possibility of reducing energy and raw material consumption as well as enabling chemical processes with a lower environmental impact. The rising demand and expense of fossil resources has strained national and global economies and has increased the importance of accessing more efficient catalytic processes for the conversion of hydrocarbons to useful products. The goals of the research are to develop and understand single-site homogeneous catalysts for the conversion of readily available hydrocarbons into useful materials. A detailed understanding of these catalytic reactions could lead to the development of catalysts with improved activity, longevity and selectivity. Such transformations could reduce the environmental impact of hydrocarbon functionalization, conserve energy and valuable fossil resources and provide new technologies for the production of liquid fuels. This project is a collaborative effort that incorporates both experimental and computational studies to understand the details of transition metal catalyzed C-H activation and C-C bond forming reactions with olefins. Accomplishments of the current funding period include: (1) We have completed and published studies of C-H activation and catalytic olefin hydroarylation by TpRu{l_brace}P(pyr){sub 3}{r_brace}(NCMe)R (pyr = N-pyrrolyl) complexes. While these systems efficiently initiate stoichiometric benzene C-H activation, catalytic olefin hydroarylation is hindered by inhibition of olefin coordination, which is a result of the steric bulk of the P(pyr){sub 3} ligand. (2) We have extended our studies of catalytic olefin hydroarylation by TpRu(L)(NCMe)Ph systems to L = P(OCH{sub 2}){sub 3}CEt. Thus, we have now completed detailed mechanistic studies of four systems with L = CO, PMe{sub 3}, P(pyr){sub 3} and P(OCH{sub 2}){sub 3}CEt, which has provided a comprehensive understanding of the impact of steric and electronic parameters of 'L' on the catalytic hydroarylation of olefins. (3) We have completed and published a detailed mechanistic study of stoichiometric aromatic C-H activation by TpRu(L)(NCMe)Ph (L = CO or PMe{sub 3}). These efforts have probed the impact of functionality para to the site of C-H activation for benzene substrates and have allowed us to develop a detailed model of the transition state for the C-H activation process. These results have led us to conclude that the C-H bond cleavage occurs by a {sigma}-bond metathesis process in which the C-H transfer is best viewed as an intramolecular proton transfer. (4) We have completed studies of Ru complexes possessing the N-heterocyclic carbene IMes (IMes = 1,3-bis-(2,4,6-trimethylphenyl)imidazol-2-ylidene). One of these systems is a unique four-coordinate Ru(II) complex that catalyzes the oxidative hydrophenylation of ethylene (in low yields) to produce styrene and ethane (utilizing ethylene as the hydrogen acceptor) as well as the hydrogenation of olefins, aldehydes and ketones. These results provide a map for the preparation of catalysts that are selective for oxidative olefin hydroarylation. (5) The ability of TpRu(PMe{sub 3})(NCMe)R systems to activate sp{sup 3} C-H bonds has been demonstrated including extension to subsequent C-C bond forming steps. These results open the door to the development of catalysts for the functionalization of more inert C-H bonds. (6) We have discovered that Pt(II) complexes supported by simple nitrogen-based ligands serve as catalysts for the hydroarylation of olefins. Given the extensive studies of Pt-based catalytic C-H activation, we believe these results will provide an entry point into an array of possible catalysts for hydrocarbon functionalization.

  12. Dormaier and Chester Butte 2007 Follow-up Habitat Evaluation Procedures Report.

    SciTech Connect (OSTI)

    Ashley, Paul R.

    2008-01-01

    Follow-up habitat evaluation procedures (HEP) analyses were conducted on the Dormaier and Chester Butte wildlife mitigation sites in April 2007 to determine the number of additional habitat units to credit Bonneville Power Administration (BPA) for providing funds to enhance, and maintain the project sites as partial mitigation for habitat losses associated with construction of Grand Coulee Dam. The Dormaier follow-up HEP survey generated 482.92 habitat units (HU) or 1.51 HUs per acre for an increase of 34.92 HUs over baseline credits. Likewise, 2,949.06 HUs (1.45 HUs/acre) were generated from the Chester Butte follow-up HEP analysis for an increase of 1,511.29 habitat units above baseline survey results. Combined, BPA will be credited with an additional 1,546.21 follow-up habitat units from the Dormaier and Chester Butte parcels.

  13. Fuels for Advanced Combustion Engines Research Diesel Fuels: Analysis of Physical and Chemical Properties

    SciTech Connect (OSTI)

    Gallant, Tom; Franz, Jim; Alnajjar, Mikhail; Storey, John Morse; Lewis Sr, Samuel Arthur; Sluder, Scott; Cannella, William C; Fairbridge, Craig; Hager, Darcy; Dettman, Heather; Luecke, Jon; Ratcliff, Matthew A.; Zigler, Brad

    2009-01-01

    The CRC Fuels for Advanced Combustion Engines working group has worked to identify a matrix of research diesel fuels for use in advanced combustion research applications. Nine fuels were specified and formulated to investigate the effects of cetane number aromatic content and 90% distillation fraction. Standard ASTM analyses were performed on the fuels as well as GC/MS and /u1H//u1/u3C NMR analyses and thermodynamic characterizations. Details of the actual results of the fuel formulations compared with the design values are presented, as well as results from standard analyses, such as heating value, viscosity and density. Cetane number characterizations were accomplished by using both the engine method and the Ignition Quality Tester (IQT/sT) apparatus.

  14. Characterization of a commercial hybrid iterative and model-based reconstruction algorithm in radiation oncology

    SciTech Connect (OSTI)

    Price, Ryan G.; Vance, Sean; Cattaneo, Richard; Elshaikh, Mohamed A.; Chetty, Indrin J.; Glide-Hurst, Carri K.; Schultz, Lonni

    2014-08-15

    Purpose: Iterative reconstruction (IR) reduces noise, thereby allowing dose reduction in computed tomography (CT) while maintaining comparable image quality to filtered back-projection (FBP). This study sought to characterize image quality metrics, delineation, dosimetric assessment, and other aspects necessary to integrate IR into treatment planning. Methods: CT images (Brilliance Big Bore v3.6, Philips Healthcare) were acquired of several phantoms using 120 kVp and 25800 mAs. IR was applied at levels corresponding to noise reduction of 0.890.55 with respect to FBP. Noise power spectrum (NPS) analysis was used to characterize noise magnitude and texture. CT to electron density (CT-ED) curves were generated over all IR levels. Uniformity as well as spatial and low contrast resolution were quantified using a CATPHAN phantom. Task specific modulation transfer functions (MTF{sub task}) were developed to characterize spatial frequency across objects of varied contrast. A prospective dose reduction study was conducted for 14 patients undergoing interfraction CT scans for high-dose rate brachytherapy. Three physicians performed image quality assessment using a six-point grading scale between the normal-dose FBP (reference), low-dose FBP, and low-dose IR scans for the following metrics: image noise, detectability of the vaginal cuff/bladder interface, spatial resolution, texture, segmentation confidence, and overall image quality. Contouring differences between FBP and IR were quantified for the bladder and rectum via overlap indices (OI) and Dice similarity coefficients (DSC). Line profile and region of interest analyses quantified noise and boundary changes. For two subjects, the impact of IR on external beam dose calculation was assessed via gamma analysis and changes in digitally reconstructed radiographs (DRRs) were quantified. Results: NPS showed large reduction in noise magnitude (50%), and a slight spatial frequency shift (?0.1 mm{sup ?1}) with application of IR at L6. No appreciable changes were observed for CT-ED curves between FBP and IR levels [maximum difference ?13 HU for bone (?1% difference)]. For uniformity, differences were ?1 HU between FBP and IR. Spatial resolution was well conserved; the largest MTF{sub task} decrease between FBP and IR levels was 0.08 A.U. No notable changes in low-contrast detectability were observed and CNR increased substantially with IR. For the patient study, qualitative image grading showed low-dose IR was equivalent to or slightly worse than normal dose FBP, and is superior to low-dose FBP (p < 0.001 for noise), although these did not translate to differences in CT number, contouring ability, or dose calculation. The largest CT number discrepancy from FBP occurred at a bone/tissue interface using the most aggressive IR level [?1.2 4.9 HU (range: ?17.612.5 HU)]. No clinically significant contour differences were found between IR and FBP, with OIs and DSCs ranging from 0.85 to 0.95. Negligible changes in dose calculation were observed. DRRs preserved anatomical detail with <2% difference in intensity from FBP combined with aggressive IRL6. Conclusions: These results support integrating IR into treatment planning. While slight degradation in edges and shift in texture were observed in phantom, patient results show qualitative image grading, contouring ability, and dosimetric parameters were not adversely affected.

  15. Higher-order gravitational lensing reconstruction using Feynman diagrams

    SciTech Connect (OSTI)

    Jenkins, Elizabeth E.; Manohar, Aneesh V.; Yadav, Amit P.S.; Waalewijn, Wouter J. E-mail: amanohar@ucsd.edu E-mail: ayadav@physics.ucsd.edu

    2014-09-01

    We develop a method for calculating the correlation structure of the Cosmic Microwave Background (CMB) using Feynman diagrams, when the CMB has been modified by gravitational lensing, Faraday rotation, patchy reionization, or other distorting effects. This method is used to calculate the bias of the Hu-Okamoto quadratic estimator in reconstructing the lensing power spectrum up to O(?{sup 4}) in the lensing potential ?. We consider both the diagonal noise TT TT, EB EB, etc. and, for the first time, the off-diagonal noise TT TE, TB EB, etc. The previously noted large O(?{sup 4}) term in the second order noise is identified to come from a particular class of diagrams. It can be significantly reduced by a reorganization of the ? expansion. These improved estimators have almost no bias for the off-diagonal case involving only one B component of the CMB, such as EE EB.

  16. 10Be

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

    Be β--Decay Evaluated Data Measurements 1949HU19: 10Be. 1951LI26: 10Be. 1972EM01: 10Be; measured T1/2. 1972MC26: 10Be; measured T1/2. 1972YI01: 10Be; measured T1/2. 1993MI26: 10Be(β-); analyzed 10Be isotope ratio data; deduced T1/2. 2007GR05: 10Be(β-); measured Eβ; deduced shape-factor functions, cutoff energy yields, maximum-point energies. 2010CH18: 10Be(β-); measured electron spectrum; deduced 10Be activity, T1/2. 2010KO19: 10Be(β-); measured electron spectrum; deduced 10Be activity,

  17. A=10Be (66LA04)

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

    66LA04) (See Energy Level Diagrams for 10Be) GENERAL: See (KU56, FR57, BA59F, KU60A, TA60L, BA61N, TR61, BU63D, VL63A, WA63C, FR64D, GR64C, VO64C, WA64H, WA64K). See also Table 10.1 [Table of Energy Levels] (in PDF or PS). 1. 10Be(β-)10B Qm = 0.555 The weighted mean end-point energy is 0.556 ± 0.003 MeV (LI51A). The mean half life is (2.7 ± 0.4) x 106 y (HU49A): log ft = 13.65 (FE51B). The spectrum is of the D2 type (WU50). 2. (a) 7Li(t, α)6He Qm = 9.834 Eb = 17.250 (b) 7Li(t, 2n)8Be Qm =

  18. A=13B (1976AJ04)

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

    76AJ04) (See Energy Level Diagrams for 13B) GENERAL: See also (1970AJ04) and Table 13.1 [Table of Energy Levels] (in PDF or PS). Special reactions:(1971AR02, 1973KO1D, 1975AB1D, 1975FO09). Theoretical papers:(1972AN05, 1973KI12, 1973MU11, 1973MU1B, 1973NA1H, 1973NA14, 1973SA30, 1973WI15, 1975BE31, 1975HU14). Q = 0.048 ± 0.005 b (1973HAVZ, 1974SHYR). μ = 3.1771 ± 0.0005 nm (1971WI09, 1973HAVZ). See also (1973TO16). 1. 13B(β-)13C Qm = 13.437 The half-life of 13B is 17.33 ± 0.17 msec

  19. A=13O (1976AJ04)

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

    76AJ04) (See the Isobar Diagram for 13O) GENERAL: See also (1970AJ04) and Table 13.29 [Table of Energy Levels] (in PDF or PS). Theoretical papers: (1973HA49, 1973RO1R, 1973SP1A, 1975GR03, 1975BE31, 1975HU14). Review papers: (1972CE1A, 1972WA07, 1973HA77). Mass of 13O: From the Q-value of the 16O(3He, 6He)13O reaction [Q0 = -30.508 ± 0.010 MeV] the atomic mass excess of 13O is determined to be 23.105 ± 0.010 MeV (1971TR03). 13O is then bound with respect to 12N + p and 11C + 2p by 1.528 and

  20. A=15O (70AJ04)

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

    70AJ04) (See Energy Level Diagrams for 15O) GENERAL: See Table 15.18 [Table of Energy Levels] (in PDF or PS) here. Model calculations:(TA60H, TA60L, CO63B, KU63I, AL64P, AM64, BR64Z, RI64B, CO65I, GI65D, GR65E, GU65A, HU65D, BO66J, EL66B, RI66G, SO66A, BO67B, EL67C, DE68K, EL68E, HO68, MA68DD, SH68D, WO68D, ZH68, ZU68, DE69M, EL69B, GU69, SA69). General calculations and reviews:(EV64, FA67A, NE67B, BI68C). Electromagnetic transitions:(RO65O, PO66F, RO66C, WA66D, KU67J, PO67G, WA67I, BI68C,