National Library of Energy BETA

Sample records for ru os hs

  1. 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.

  2. Correlation between microstructure and thermionic electron emission from Os-Ru thin films on dispenser cathodes

    SciTech Connect (OSTI)

    Swartzentruber, Phillip D.; John Balk, Thomas; Effgen, Michael P.

    2014-07-01

    Osmium-ruthenium films with different microstructures were deposited onto dispenser cathodes and subjected to 1000 h of close-spaced diode testing. Tailored microstructures were achieved by applying substrate biasing during deposition, and these were evaluated with scanning electron microscopy, x-ray diffraction, and energy dispersive x-ray spectroscopy before and after close-spaced diode testing. Knee temperatures determined from the close-spaced diode test data were used to evaluate cathode performance. Cathodes with a large (10-11) Os-Ru film texture possessed comparatively low knee temperatures. Furthermore, a low knee temperature correlated with a low effective work function as calculated from the close-spaced diode data. It is proposed that the formation of strong (10-11) texture is responsible for the superior performance of the cathode with a multilayered Os-Ru coating.

  3. Coupled Nd and B' spin ordering in the double perovskites Nd2NaB'O6 (B' = Ru, Os)

    SciTech Connect (OSTI)

    Aczel, Adam A; Bugaris, Dan; Yeon, Jeongho; Dela Cruz, Clarina R; Zur Loye, Hans-Conrad; Nagler, Stephen E

    2013-01-01

    We present a neutron powder diffraction study of the monoclinic double perovskite systems Nd$_2$NaB$'$O$_6$ (B$'$~$=$~Ru, Os), with magnetic atoms occupying both the A and B$'$ sites. Our measurements reveal coupled spin ordering between the Nd and B$'$ atoms with magnetic transition temperatures of 14~K for Nd$_2$NaRuO$_6$ and 16~K for Nd$_2$NaOsO$_6$. There is a Type I antiferromagnetic structure associated with the Ru and Os sublattices, with the ferromagnetic planes stacked along the c-axis and [110] direction respectively, while the Nd sublattices exhibit complex, canted antiferromagnetism with different spin arrangements in each system.

  4. Strain-induced topological transition in SrRu2O6 and CaOs2O6

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

    Ochi, Masayuki; Arita, Ryotaro; Trivedi, Nandini; Okamoto, Satoshi

    2016-05-24

    The topological property of SrRu$_2$O$_6$ and isostructural CaOs$_2$O$_6$ under various strain conditions is investigated using density functional theory. Based on an analysis of parity eigenvalues, we anticipate that a three-dimensional strong topological insulating state should be realized when band inversion is induced at the A point in the hexagonal Brillouin zone. For SrRu$_2$O$_6$, such a transition requires rather unrealistic tuning, where only the $c$ axis is reduced while other structural parameters are unchanged. However, given the larger spin-orbit coupling and smaller lattice constants in CaOs$_2$O$_6$, the desired topological transition does occur under uniform compressive strain. Our study paves a waymore » to realize a topological insulating state in a complex oxide, which has not been experimentally demonstrated so far.« less

  5. 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.

  6. Frustration by competing interactions in the highly-distorted double perovskites La2NaB'O6 (B' = Ru, Os)

    SciTech Connect (OSTI)

    Aczel, Adam A; Bugaris, Dan; Li, Ling; Yan, Jiaqiang; Dela Cruz, Clarina R; Zur Loye, Hans-Conrad; Nagler, Stephen E

    2013-01-01

    The usual classical behaviour of S = 3/2, B-site ordered double perovskites generally results in simple, commensurate magnetic ground states. In contrast, heat capacity and neutron powder diffraction measurements for the S = 3/2 systems La2NaB'O6 (B = Ru, Os) reveal an incommensurate magnetic ground state for La2NaRuO6 and a drastically suppressed ordered moment for La2NaOsO6. This behaviour is attributed to the large monoclinic structural distortions of these double perovskites. The distortions have the effect of weakening the nearest neighbour superexchange interactions, presumably to an energy scale that is comparable to the next nearest neighbour superexchange. The exotic ground states in these materials can then arise from a competition between these two types of antiferromagnetic interactions, providing a novel mechanism for achieving frustration in the double perovskite family.

  7. 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.

  8. PIA - HS Web Services (HSWS) | Department of Energy

    Energy Savers [EERE]

    PIA - HS Web Services (HSWS) PIA - HS Web Services (HSWS) PIA - HS Web Services (HSWS) PDF icon PIA - HS Web Services (HSWS) More Documents & Publications PIA - INL PeopleSoft -...

  9. 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...

  10. PIA - HS Web Services (HSWS) | Department of Energy

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

    Web Services (HSWS) PIA - HS Web Services (HSWS) PIA - HS Web Services (HSWS) PIA - HS Web Services (HSWS) (376.72 KB) More Documents & Publications PIA - INL PeopleSoft - Human ...

  11. 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..

  12. PIA - HS Correspondence Tracking System (HSCT) | Department of Energy

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

    Correspondence Tracking System (HSCT) PIA - HS Correspondence Tracking System (HSCT) PIA - HS Correspondence Tracking System (HSCT) PIA - HS Correspondence Tracking System (HSCT) (265.33 KB) More Documents & Publications PIA - INL SECURITY INFORMATION MANAGEMENT SYSTEM BUSINESS ENCLAVE PIA - INL PeopleSoft - Human Resource System PIA - Human Resources - Personal Information Change Request - Idaho National Engineering Laboratory

  13. Justin H.S. Breaux | Argonne National Laboratory

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

    Justin H.S. Breaux Justin Breaux is a science writer and digital communications specialist in Argonne's Communications, Education and Public Affairs Division. Contact him at (630) 252-5823 or media@anl.gov

  14. 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.

  15. 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.

  16. File:Wind-turbine-economics-lp-HS.pdf | Open Energy Information

    Open Energy Info (EERE)

    Wind-turbine-economics-lp-HS.pdf Jump to: navigation, search File File history File usage Metadata File:Wind-turbine-economics-lp-HS.pdf Size of this preview: 463 599 pixels....

  17. File:Getting-to-know-your-turbine-HS.pdf | Open Energy Information

    Open Energy Info (EERE)

    turbine-HS.pdf Jump to: navigation, search File File history File usage Metadata File:Getting-to-know-your-turbine-HS.pdf Size of this preview: 463 599 pixels. Other resolution:...

  18. Theoretical calculations for structural, elastic, and thermodynamic properties of RuN{sub 2} under high pressure

    SciTech Connect (OSTI)

    Dong, Bing; Zhou, Xiao-Lin E-mail: lkworld@126.com; Chang, Jing; Liu, Ke E-mail: lkworld@126.com

    2014-08-07

    The structural and elastic properties of RuN{sub 2} were investigated through the first-principles calculation using generalized gradient approximation (GGA) and local density approximation (LDA) within the plane-wave pseudopotential density functional theory. The obtained equilibrium structure and mechanical properties are in excellent agreement with other theoretical results. Then we compared the elastic modulus of RuN{sub 2} with several other isomorphic noble metal nitrides. Results show that RuN{sub 2} can nearly rival with OsN{sub 2} and IrN{sub 2}, which indicate RuN{sub 2} is a potentially ultra-incompressible and hard material. By the elastic stability criteria, it is predicted that RuN{sub 2} is stable in our calculations (0–100 GPa). The calculated B/G ratios indicate that RuN{sub 2} possesses brittle nature at 0 GPa and when the pressure increases to 13.4 GPa (for LDA) or 20.8 GPa (for GGA), it begins to prone to ductility. Through the quasi-harmonic Debye model, we also investigated the thermodynamic properties of RuN{sub 2}.

  19. Facile oxygen intercalation between full layer graphene and Ru...

    Office of Scientific and Technical Information (OSTI)

    Facile oxygen intercalation between full layer graphene and Ru(0001) under ambient ... Title: Facile oxygen intercalation between full layer graphene and Ru(0001) under ambient ...

  20. Arrays of Ru Nanoclusters with Narrow Size Distribution Templated by Monolayer Graphene on Ru

    SciTech Connect (OSTI)

    Sutter, P.; Sutter, E.; Albrecht, P.; Wang, B.; Bocquet M.-L.; Wu, L.; Zhu, Y.

    2011-09-01

    Ru nanoclusters self-assemble over macroscopic sample areas during vapor deposition of Ru on monolayer graphene (MLG) on Ru(0001). The Ru nanoclusters form arrays with a mean lateral cluster diameter of {approx} 20 {angstrom}, cluster heights of 1 or 2 ML, and a size distribution that remains nearly constant with increasing coverage. Combined scanning tunneling microscopy and density functional theory (DFT) show that the clusters are templated by the MLG/Ru(0001) moire unit cell and identify the preferred binding site of the clusters as the low fcc region of the moire. Cross-sectional transmission electron microscopy (TEM) and high-resolution TEM contrast simulations experimentally demonstrate that the interaction of the Ru clusters with the underlying MLG/Ru(0001) leads to a local lifting of the graphene layer of the template. DFT calculations confirm this mechanism of interaction of the Ru clusters with the strongly coupled MLG/Ru(0001). Weakening of the graphene-support coupling via oxygen intercalation is shown to have a major effect on the assembly of Ru nanocluster arrays. With a preferred binding site lacking on decoupled graphene, the Ru nanoclusters grow significantly larger, and clusters with 1 to 4 ML height can coexist.

  1. 10 CFR 850, Request for Information- Docket Number: HS-RM-10-CBDPP- Ed Kvartek

    Office of Energy Efficiency and Renewable Energy (EERE)

    Commenter: Ed Kvartek 10 CFR 850 - Request for Information Docket Number: HS-RM-10-CBDPP Comment Close Date: 2/22/2011

  2. 10 CFR 850, Request for Information- Docket Number: HS-RM-10-CBDPP- Reginald Gaylord

    Broader source: Energy.gov [DOE]

    Commenter: Reginald Gaylord 10 CFR 850 - Request for Information Docket Number: HS-RM-10-CBDPP Comment Close Date: 2/22/2011

  3. 10 CFR 850, Request for Information- Docket Number: HS-RM-10-CBDPP- Cameron Anderson

    Broader source: Energy.gov [DOE]

    Commenter: Cameron Anderson 10 CFR 850 - Request for Information Docket Number: HS-RM-10-CBDPP Comment Close Date: 2/22/2011

  4. 10 CFR 850, Request for Information- Docket Number: HS-RM-10-CBDPP- Cheryl Floreen

    Broader source: Energy.gov [DOE]

    Commenter: Cheryl Floreen 10 CFR 850 - Request for Information Docket Number: HS-RM-10-CBDPP Comment Close Date: 2/22/2011

  5. 10 CFR 850, Request for Information- Docket Number: HS-RM-10-CBDPP- Steven Jahn

    Broader source: Energy.gov [DOE]

    Commenter: Steven Jahn 10 CFR 850 - Request for Information Docket Number: HS-RM-10-CBDPP Comment Close Date: 2/22/2011

  6. 10 CFR 850, Request for Information- Docket Number: HS-RM-10-CBDPP- Mark Fisher

    Broader source: Energy.gov [DOE]

    Commenter: Mark Fisher 10 CFR 850 - Request for Information Docket Number: HS-RM-10-CBDPP Comment Close Date: 2/22/2011

  7. 10 CFR 850, Request for Information- Docket Number: HS-RM-10-CBDPP- Bret Moscon

    Broader source: Energy.gov [DOE]

    Commenter: Bret Moscon 10 CFR 850 - Request for Information Docket Number: HS-RM-10-CBDPP Comment Close Date: 2/22/2011

  8. 10 CFR 850, Request for Information- Docket Number: HS-RM-10-CBDPP- Marc Kolanz

    Broader source: Energy.gov [DOE]

    Commenter: Marc Kolanz 10 CFR 850 - Request for Information Docket Number: HS-RM-10-CBDPP Comment Close Date: 2/22/2011

  9. 10 CFR 850, Request for Information- Docket Number: HS-RM-10-CBDPP- Jim Withers

    Broader source: Energy.gov [DOE]

    Commenter: Jim Withers 10 CFR 850 - Request for Information Docket Number: HS-RM-10-CBDPP Comment Close Date: 2/22/2011

  10. 10 CFR 850, Request for Information- Docket Number: HS-RM-10-CBDPP- William R. Kleem

    Broader source: Energy.gov [DOE]

    Commenter: William R. Kleem 10 CFR 850 - Request for Information Docket Number: HS-RM-10-CBDPP Comment Close Date: 2/22/2011

  11. 10 CFR 850, Request for Information- Docket Number: HS-RM-10-CBDPP- J. Chris Cantwell

    Broader source: Energy.gov [DOE]

    Commenter: J. Chris Cantwell 10 CFR 850 - Request for Information Docket Number: HS-RM-10-CBDPP Comment Close Date: 2/22/2011

  12. 10 CFR 850, Request for Information- Docket Number: HS-RM-10-CBDPP- Mario Moreno

    Broader source: Energy.gov [DOE]

    Commenter: Mario Moreno 10 CFR 850 - Request for Information Docket Number: HS-RM-10-CBDPP Comment Close Date: 2/22/2011

  13. 10 CFR 850, Request for Information- Docket Number: HS-RM-10-CBDPP- Susan Leckband

    Broader source: Energy.gov [DOE]

    Commenter: Susan Leckband 10 CFR 850 - Request for Information Docket Number: HS-RM-10-CBDPP Comment Close Date: 2/22/2011

  14. 10 CFR 850, Request for Information- Docket Number: HS-RM-10-CBDPP- Pete Stafford

    Broader source: Energy.gov [DOE]

    Commenter: Pete Stafford 10 CFR 850 - Request for Information Docket Number: HS-RM-10-CBDPP Comment Close Date: 2/22/2011

  15. 10 CFR 850, Request for Information- Docket Number: HS-RM-10-CBDPP- Faye Vleger

    Broader source: Energy.gov [DOE]

    Commenter: Faye Vleger 10 CFR 850 - Request for Information Docket Number: HS-RM-10-CBDPP Comment Close Date: 2/22/2011

  16. 10 CFR 850, Request for Information- Docket Number: HS-RM-10-CBDPP- Scott Stafford

    Broader source: Energy.gov [DOE]

    Commenter: Scott Stafford 10 CFR 850 - Request for Information Docket Number: HS-RM-10-CBDPP Comment Close Date: 2/22/2011

  17. 10 CFR 850, Request for Information- Docket Number: HS-RM-10-CBDPP- Anoop Agrawal

    Broader source: Energy.gov [DOE]

    Commenter: Anoop Agrawal 10 CFR 850 - Request for Information Docket Number: HS-RM-10-CBDPP Comment Close Date: 2/22/2011

  18. 10 CFR 850, Request for Information- Docket Number: HS-RM-10-CBDPP- Thomas W. Morris

    Broader source: Energy.gov [DOE]

    Commenter: Thomas W. Morris 10 CFR 850 - Request for Information Docket Number: HS-RM-10-CBDPP Comment Close Date: 2/22/2011

  19. 10 CFR 850, Request for Information- Docket Number: HS-RM-10-CBDPP- Jamie Stalker

    Broader source: Energy.gov [DOE]

    Commenter: Jamie Stalker 10 CFR 850 - Request for Information Docket Number: HS-RM-10-CBDPP Comment Close Date: 2/22/2011

  20. 10 CFR 850, Request for Information- Docket Number: HS-RM-10-CBDPP- Curtis Valle

    Broader source: Energy.gov [DOE]

    Commenter: Curtis Valle 10 CFR 850 - Request for Information Docket Number: HS-RM-10-CBDPP Comment Close Date: 2/22/2011

  1. 10 CFR 850, Request for Information- Docket Number: HS-RM-10-CBDPP- Roby Enge

    Broader source: Energy.gov [DOE]

    Commenter: Roby Enge 10 CFR 850 - Request for Information Docket Number: HS-RM-10-CBDPP Comment Close Date: 2/22/2011

  2. 10 CFR 850, Request for Information- Docket Number: HS-RM-10-CBDPP- Richard L. Dickson

    Broader source: Energy.gov [DOE]

    Commenter: Richard L. Dickson 10 CFR 850 - Request for Information Docket Number: HS-RM-10-CBDPP Comment Close Date: 2/22/2011

  3. 10 CFR 850, Request for Information- Docket Number: HS-RM-10-CBDPP- Timothy Bolden

    Broader source: Energy.gov [DOE]

    Commenter: Timothy Bolden 10 CFR 850 - Request for Information Docket Number: HS-RM-10-CBDPP Comment Close Date: 2/22/2011

  4. 10 CFR 850, Request for Information- Docket Number: HS-RM-10-CBDPP- Scott Yundt

    Broader source: Energy.gov [DOE]

    Commenter: Scott Yundt 10 CFR 850 - Request for Information Docket Number: HS-RM-10-CBDPP Comment Close Date: 2/22/2011

  5. 10 CFR 850, Request for Information- Docket Number: HS-RM-10-CBDPP- Thomas Peterson

    Broader source: Energy.gov [DOE]

    Commenter: Thomas Peterson 10 CFR 850 - Request for Information Docket Number: HS-RM-10-CBDPP Comment Close Date: 2/22/2011

  6. 10 CFR 850, Request for Information- Docket Number: HS-RM-10-CBDPP- Terry Vaughn

    Broader source: Energy.gov [DOE]

    Commenter: Terry Vaughn 10 CFR 850 - Request for Information Docket Number: HS-RM-10-CBDPP Comment Close Date: 2/22/2011

  7. 10 CFR 850, Request for Information- Docket Number: HS-RM-10-CBDPP- Paul A. Schulte

    Broader source: Energy.gov [DOE]

    Commenter: Paul A. Schulte 10 CFR 850 - Request for Information Docket Number: HS-RM-10-CBDPP Comment Close Date: 2/22/2011

  8. 10 CFR 850, Request for Information- Docket Number: HS-RM-10-CBDPP- Joseph Herndon

    Broader source: Energy.gov [DOE]

    Commenter: Joseph Herndon 10 CFR 850 - Request for Information Docket Number: HS-RM-10-CBDPP Comment Close Date: 2/22/2011

  9. 10 CFR 850, Request for Information- Docket Number: HS-RM-10-CBDPP- Michael Brisson

    Office of Energy Efficiency and Renewable Energy (EERE)

    Commenter: Michael Brisson 10 CFR 850 - Request for Information Docket Number: HS-RM-10-CBDPP Comment Close Date: 2/22/2011

  10. 10 CFR 850, Request for Information- Docket Number: HS-RM-10-CBDPP- Kenneth Meyer

    Broader source: Energy.gov [DOE]

    Commenter: Kenneth Meyer 10 CFR 850 - Request for Information Docket Number: HS-RM-10-CBDPP Comment Close Date: 2/22/2011

  11. 10 CFR 850, Request for Information- Docket Number: HS-RM-10-CBDPP- John Walter

    Broader source: Energy.gov [DOE]

    Commenter: John Walter 10 CFR 850 - Request for Information Docket Number: HS-RM-10-CBDPP Comment Close Date: 2/22/2011

  12. 10 CFR 850, Request for Information- Docket Number: HS-RM-10-CBDPP- Mark Strauch

    Broader source: Energy.gov [DOE]

    Commenter: Mark Strauch 10 CFR 850 - Request for Information Docket Number: HS-RM-10-CBDPP Comment Close Date: 2/22/2011

  13. 10 CFR 850, Request for Information- Docket Number: HS-RM-10-CBDPP- Troy Bodily

    Broader source: Energy.gov [DOE]

    Commenter: Troy Bodily 10 CFR 850 - Request for Information Docket Number: HS-RM-10-CBDPP Comment Close Date: 2/22/2011

  14. Summit Appliance: ENERGY STAR Referral (CF11ES, Midea HS-390C) | Department

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

    of Energy Summit Appliance: ENERGY STAR Referral (CF11ES, Midea HS-390C) Summit Appliance: ENERGY STAR Referral (CF11ES, Midea HS-390C) October 28, 2011 DOE referred the matter of Summit freezer model CF11ES, which is manufactured by Midea and distributed under the Midea brand as model HS-390C, to the U.S. Environmental Protection Agency, brand manager for the ENERGY STAR Program, for appropriate action after DOE testing showed that the model does not meet the ENERGY STAR specification.

  15. Adsorbing H?S onto a single graphene sheet: A possible gas sensor

    SciTech Connect (OSTI)

    Reshak, A. H.; Auluck, S.

    2014-09-14

    The electronic structure of pristine graphene sheet and the resulting structure of adsorbing a single molecule of H?S on pristine graphene in three different sites (bridge, top, and hollow) are studied using the full potential linearized augmented plane wave method. Our calculations show that the adsorption of H?S molecule on the bridge site opens up a small direct energy gap of about 0.1 eV at symmetry point M, while adsorption of H?S on top site opens a gap of 0.3 eV around the symmetry point K. We find that adsorbed H?S onto the hollow site of pristine graphene sheet causes to push the conduction band minimum and the valence band maximum towards Fermi level resulting in a metallic behavior. Comparing the angular momentum decomposition of the atoms projected electronic density of states of pristine graphene sheet with that of H?Sgraphene for three different cases, we find a significant influence of the location of the H?S molecule on the electronic properties especially the strong hybridization between H?S molecule and graphene sheet.

  16. 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

  17. DEVELOPMENT OF THE HS99 AIR TRANSPORT TYPE A FISSILE PACKAGE

    SciTech Connect (OSTI)

    Blanton, P.; Eberl, K.

    2012-07-10

    An air-transport Type A Fissile radioactive shipping package for the transport of special form uranium sources has been developed by the Savannah River National Laboratory (SRNL) for the Department of Homeland Security. The Package model number is HS99 for Homeland Security Model 99. This paper presents the major design features of the HS99 and highlights engineered materials necessary for meeting the design requirements for this light-weight Type AF packaging. A discussion is provided demonstrating how the HS99 complies with the regulatory safety requirements of the Nuclear Regulatory Commission. The paper summarizes the results of structural testing to specified in 10 CFR 71 for Normal Conditions of Transport and Hypothetical Accident Conditions events. Planned and proposed future missions for this packaging are also addressed.

  18. PHOTOMETRIC ANALYSIS OF HS Aqr, EG Cep, VW LMi, AND DU Boo

    SciTech Connect (OSTI)

    Djurasevic, G.; Latkovic, O.; Bastuerk, Oe.; Y Latin-Small-Letter-Dotless-I lmaz, M.; Cal Latin-Small-Letter-Dotless-I skan, S.; Senavc Latin-Small-Letter-Dotless-I , H. V.; K Latin-Small-Letter-Dotless-I l Latin-Small-Letter-Dotless-I coglu, T.; Ekmekci, F.; Tanr Latin-Small-Letter-Dotless-I verdi, T.

    2013-03-15

    We analyze new multicolor light curves for four close late-type binaries: HS Aqr, EG Cep, VW LMi, and DU Boo, in order to determine the orbital and physical parameters of the systems and estimate the distances. The analysis is done using the modeling code of G. Djurasevic, and is based on up-to-date measurements of spectroscopic elements. All four systems have complex, asymmetric light curves that we model by including bright or dark spots on one or both components. Our findings indicate that HS Aqr and EG Cep are in semi-detached, while VW LMi and DU Boo are in overcontact configurations.

  19. 10 CFR 850, Request for Information- Docket Number: HS-RM-10-CBDPP- Alliance for Water Efficiency (AWE)

    Broader source: Energy.gov [DOE]

    Commenter: Alliance for Water Efficiency (AWE) 10 CFR 850 - Request for Information Docket Number: HS-RM-10-CBDPP Comment Close Date: 2/22/2011

  20. 10 CFR 850, Request for Information- Docket Number: HS-RM-10-CBDPP- Christopher R. McKean

    Broader source: Energy.gov [DOE]

    Commenter: Christopher R. McKean 10 CFR 850 - Request for Information Docket Number: HS-RM-10-CBDPP Comment Close Date: 2/22/2011

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

    Office of Scientific and Technical Information (OSTI)

    Country of Publication: United States Language: English Subject: 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; CATHODES; COATINGS; CRYSTAL STRUCTURE; ENERGY ...

  2. Fischer–Tropsch Synthesis: Effect of Reducing Agent for Aqueous-Phase Synthesis Over Ru Nanoparticle and Supported Ru Catalysts

    SciTech Connect (OSTI)

    Pendyala, Venkat Ramana Rao; Shafer, Wilson D.; Jacobs, Gary; Graham, Uschi M.; Khalid, Syed; Davis, Burtron H.

    2014-12-27

    The effect of the reducing agent on the performance of a ruthenium nanoparticle catalyst was investigated during aqueous-phase Fischer–Tropsch synthesis using a 1 L stirred tank reactor in the batch mode of operation. For the purpose of comparison, the activity and selectivity of NaY zeolite supported Ru catalyst were also studied. NaBH4 and hydrogen were used as reducing agents in our study, and hydrogen reduced catalysts exhibited higher activities than the NaBH4 reduced catalysts, because of higher extent of reduction and a relatively lower tendency toward agglomeration of Ru particles. The Ru nanoparticle catalyst displayed higher activities than the NaY zeolite supported Ru catalyst for both reducing agents. NaBH4 reduced catalysts are less active and the carbon dioxide selectivity is higher than the hydrogen reduced catalysts. The activity of the supported Ru catalyst (Ru/NaY) was 75 % of that of the Ru nanoparticle catalyst, and has the benefit of easy wax/catalyst slurry separation by filtration. Finally, the hydrogen reduced supported Ru catalyst exhibited superior selectivity towards hydrocarbons (higher C5+ selectivity and lower selectivity to methane) than all other catalysts tested.

  3. MoRu/Be multilayers for extreme ultraviolet applications

    DOE Patents [OSTI]

    Bajt, Sasa C.; Wall, Mark A.

    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.

  4. 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

  5. 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 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 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).

  6. 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.; 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 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 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.

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

    Office of Scientific and Technical Information (OSTI)

    Spin-memory loss at CoRu interfaces Title: Spin-memory loss at CoRu interfaces Authors: Khasawneh, Mazin A. ; Klose, Carolin ; Pratt, W. P. ; Birge, Norman O. Publication Date: ...

  8. Enhanced thermoelectric power and electronic correlations in RuSe₂

    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 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.

  9. 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.

  10. 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.

  11. Nuclear forward scattering of synchrotron radiation by 99Ru

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

    Bessas, D.; Merkel, D. G.; Chumakov, A. I.; Ruffer, R.; Hermann, Raphael P.; Sergueev, I.; Mahmoud, A.; Klobes, B.; McGuire, Michael A.; Sougrati, M. T.; et al

    2014-10-03

    In this study, we measured nuclear forward scattering spectra utilizing the 99Ru transition, 89.571(3) keV, with a notably mixed E2/M1 multipolarity. The extension of the standard evaluation routines to include mixed multipolarity allows us to extract electric and magnetic hyperfine interactions from 99Ru-containing compounds. This paves the way for several other high-energy Mössbauer transitions, E~90 keV. Lastly, the high energy of such transitions allows for operando nuclear forward scattering studies in real devices.

  12. Multiple Pathways for Benzyl Alcohol Oxidation by RuV=O3+ and RuIV=O2+

    SciTech Connect (OSTI)

    Paul, Amit; Hull, Jonathan F.; Norris, Michael R.; Chen, Zuofeng; Ess, Daniel H.; Concepcion, Javier J.; Meyer, Thomas J.

    2011-01-20

    Significant rate enhancements are found for benzyl alcohol oxidation by the RuV=O3+ form of the water oxidation catalyst [Ru(Mebimpy)(bpy)(OH2)]2+ [Mebimpy = 2,6-bis(1-methylbenzimidazol-2-yl)pyridine; bpy = 2,2'-bipyridine] compared to RuIV=O2+ and for the RuIV=O2+ form with added bases due to a new pathway, concerted hydride proton transfer (HPT).

  13. Multiple Pathways for Benzyl Alcohol Oxidation by RuV=O3+ and RuIV=O2+

    SciTech Connect (OSTI)

    Paul, Amit; Hull, Jonathan F.; Norris, Michael R.; Chen, Zuofeng; Ess, Daniel H.; Concepcion, Javier J.; Meyer, Thomas J.

    2011-01-20

    Significant rate enhancements are found for benzyl alcohol oxidation by the RuV=O3+ form of the water oxidation catalyst [Ru(Mebimpy)(bpy)(OH2)]2+ [Mebimpy = 2,6-bis(1-methylbenzimidazol-2-yl)pyridine; bpy = 2,2'-bipyridine] compared to RuIV=O2+ and for the RuIV=O2+ form with added bases due to a new pathway involving concerted hydride proton transfer (HPT).

  14. 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

  15. 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

  16. 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.

  17. 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).

  18. Magnetic properties and spin polarization of Ru doped half metallic CrO{sub 2}

    SciTech Connect (OSTI)

    West, Kevin G.; Dao, Nam N. H.; Lu, Jiwei; Osofsky, Michael; Mazin, I. I.; Wolf, Stuart A.

    2015-07-06

    Chromium dioxide (CrO{sub 2}) is a half metal that is of interest for spintronic devices. It has not been synthesized through traditional physical vapor deposition (PVD) techniques because of its thermodynamic instability in low oxygen pressures. Epitaxial thin films of Ru doped tetragonal rutile CrO{sub 2} were synthesized by a PVD technique. The as-deposited Ru{sub x}Cr{sub 1−x}O{sub 2} was ferrimagnetic with the saturation magnetization moment showing a strong dependence on the Ru concentration. Curie temperature as high as 241 K has been obtained for ∼23 at. % Ru. The Ru substitution increased the electrical conductivity by increasing the minority spin concentration. The spin polarization was found to be as high as 70% for 9 at. % Ru and decreased to ∼60% with Ru concentrations up to ∼44 at. %, which is determined by the Fermi velocities of the majority and minority spins. First principle calculations were performed to understand the effect of Ru content on the properties of CrO{sub 2}. The PVD processes of Ru doped CrO{sub 2} could lead to the practical applications of the high spin polarization of CrO{sub 2} in spintronic devices.

  19. 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.

  20. Fusion-fission and quasifission in the reactions with heavy ions leading to the formation of Hs

    SciTech Connect (OSTI)

    Itkis, I. M.; Itkis, M. G.; Knyazheva, G. N.; Kozulin, E. M.

    2012-10-20

    Mass and energy distributions of binary reaction products obtained in the reactions {sup 22}Ne+{sup 249}Cf,{sup 26}Mg+{sup 248}Cm,{sup 36}S+{sup 238}U and {sup 58}Fe+{sup 208}Pb leading to Hs isotopes have been measured. At energies below the Coulomb barrier the bimodal fission of Hs*, formed in the reaction {sup 26}Mg+{sup 248}Cm, is observed. In the reaction {sup 36}S+{sup 238}U the considerable part of the symmetric fragments arises from the quasifission process. At energies above the Coulomb barrier the symmetric fragments originate mainly from fusion-fission process for both reactions with Mg and S ions. In the case of the {sup 58}Fe+{sup 208}Pb reaction the quasifission process dominates at all measured energies. The pre- and post-scission neutron multiplicities as a function of the fragment mass have been obtained for the reactions studied.

  1. Fission and quasifission modes in heavy-ion-induced reactions leading to the formation of Hs{sup *}

    SciTech Connect (OSTI)

    Itkis, I. M.; Kozulin, E. M.; Itkis, M. G.; Knyazheva, G. N.; Bogachev, A. A.; Chernysheva, E. V.; Krupa, L.; Oganessian, Yu. Ts.; Zagrebaev, V. I.; Rusanov, A. Ya.; Goennenwein, F.; Dorvaux, O.; Stuttge, L.; Hanappe, F.; Vardaci, E.; Goes Brennand, E. de

    2011-06-15

    Mass and energy distributions of binary reaction products obtained in the reactions {sup 22}Ne+{sup 249}Cf,{sup 26}Mg+{sup 248}Cm, {sup 36}S+{sup 238}U, and {sup 58}Fe+{sup 208}Pb have been measured. All reactions lead to Hs isotopes. At energies below the Coulomb barrier the bimodal fission of Hs{sup *}, formed in the reaction {sup 26}Mg+{sup 248}Cm, is observed. In the reaction {sup 36}S+{sup 238}U, leading to the formation of a similar compound nucleus, the main part of the symmetric fragments arises from the quasifission process. At energies above the Coulomb barrier fusion-fission is the main process leading to the formation of symmetric fragments for both reactions with Mg and S ions. In the case of the {sup 58}Fe+{sup 208}Pb reaction the quasifission process dominates at all measured energies.

  2. 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.

  3. Low leakage Ru-strontium titanate-Ru metal-insulator-metal capacitors for sub-20 nm technology node in dynamic random access memory

    SciTech Connect (OSTI)

    Popovici, M. Swerts, J.; Redolfi, A.; Kaczer, B.; Aoulaiche, M.; Radu, I.; Clima, S.; Everaert, J.-L.; Van Elshocht, S.; Jurczak, M.

    2014-02-24

    Improved metal-insulator-metal capacitor (MIMCAP) stacks with strontium titanate (STO) as dielectric sandwiched between Ru as top and bottom electrode are shown. The Ru/STO/Ru stack demonstrates clearly its potential to reach sub-20 nm technology nodes for dynamic random access memory. Downscaling of the equivalent oxide thickness, leakage current density (J{sub g}) of the MIMCAPs, and physical thickness of the STO have been realized by control of the Sr/Ti ratio and grain size using a heterogeneous TiO{sub 2}/STO based nanolaminate stack deposition and a two-step crystallization anneal. Replacement of TiN with Ru as both top and bottom electrodes reduces the amount of electrically active defects and is essential to achieve a low leakage current in the MIM capacitor.

  4. Mechanism of water oxidation by [Ru(bda)(L)?]: 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)?] 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)?], revealing key features unavailable from solution studies with sacrificial oxidants.

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

    Office of Scientific and Technical Information (OSTI)

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

  6. The Thermal Behavior of Pd on Graphene/Ru(0001)

    SciTech Connect (OSTI)

    Yi, Cheol-Woo W.; Szanyi, Janos

    2015-11-01

    The thermal behavior of various amounts of palladium deposited onto graphene/Ru(0001) at room temperature was investigated by x-ray photoelectron spectroscopy (XPS) and infrared reflection absorption spectroscopy (IRAS) of adsorbed CO. IRAS spectra of adsorbed CO on palladium deposited onto the graphene layer reveal the formation of defect-rich, highly-stepped and/or nanoparticle-typed palladium clusters. Annealing to temperatures below ~900 K, palladium clusters mainly experience agglomeration on the graphene layer, but at higher temperatures intercalation of palladium between the graphene layer and Ru substrate takes place. Eventually, palladium completely desorbs and the graphene layer dissolves into the ruthenium substrate at 1400 K. Even though the annealing induces the intercalation and desorption of palladium, the topmost graphene layer stays intact without any physical damage at and below 1300 K. We gratefully acknowledge the US Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences, Chemical Sciences, Geosciences, and Biosciences Division for the support of this work. The research described in this article was performed at the Environmental Molecular Sciences Laboratory (EMSL), a national scientific user facility sponsored by the DOE Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory (PNNL). PNNL is operated for the US DOE by Battelle Memorial Institute under contract number DE-AC05-76RL01830. CWY also acknowledges the support of this work by Sungshin Women’s University Research Grant of 2014.

  7. 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

  8. 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.

  9. 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.

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

    Office of Scientific and Technical Information (OSTI)

    in SrRuO3 by ionic gating Reversible control of charge transport and magnetic ... We report a reversible control of charge transport, metal-insulator crossover and ...

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

    SciTech Connect (OSTI)

    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.

  12. 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.}

  13. THE He II POST-REIONIZATION EPOCH: HST/COS OBSERVATIONS OF THE QUASAR HS1700+6416

    SciTech Connect (OSTI)

    Syphers, David; Shull, J. Michael, E-mail: david.syphers@colorado.edu, E-mail: michael.shull@colorado.edu [CASA, Department of Astrophysical and Planetary Sciences, University of Colorado, Boulder, CO 80309 (United States)

    2013-03-10

    The reionization epoch of singly ionized helium (He II) is believed to start at redshifts z {approx} 3.5-4 and be nearly complete by z {approx_equal} 2.7. We explore the post-reionization epoch with far-ultraviolet spectra of the bright, high-redshift quasar HS1700+6416 taken by the Cosmic Origins Spectrograph (COS) on the Hubble Space Telescope, which show strong He II ({lambda}303.78) absorption shortward of the QSO redshift, z{sub QSO} = 2.75. We discuss these data as they probe the post-reionization history of He II and the local ionization environment around the quasar and transverse to the line of sight, finding that quasars are likely responsible for much of the ionization. We compare previous spectra taken by the Far-Ultraviolet Spectroscopic Explorer to the current COS data, which have a substantially higher signal-to-noise ratio. The Gunn-Peterson trough recovers at lower redshifts, with the effective optical depth falling from {tau}{sub eff} {approx_equal} 1.8 at z {approx} 2.7 to {tau}{sub eff} {approx_equal} 0.7 at z {approx} 2.3, higher than has been reported in earlier work. We see an interesting excess of flux near the He II Ly{alpha} break, which could be quasar line emission, although likely not He II Ly{alpha}. We present spectra of four possible transverse-proximity quasars, although the UV hardness data are not of sufficient quality to say if their effects are seen along the HS1700 sightline.

  14. X-ray and Raman spectroscopic studies on Ru substituted LiMn{sub 2}O{sub 4}

    SciTech Connect (OSTI)

    Kalavathi, S.; Ravindran, T. R.; Sahu, P. Ch.; Kalaivani, D.

    2015-06-24

    Phase pure Ru substituted LiMn{sub 2}O{sub 4} charge frustrated spinel compounds have been synthesized. Ru substitution for Mn is possible only up to 7.5%. Powder diffraction measurements confirm sustenance of charge frustrated cubic phase with space group Fd3m upon substitution of Ru for Mn. An increase in lattice parameter has been observed indicating replacement of Mn as Ru{sup 3+} or Ru{sup 4+} rather than Ru{sup 5+}. Raman spectroscopic measurements show that the crystal structure is robust against an increase of laser power and the observed bands show an expected red shift. In the case of Ru substituted LiMn{sub 2}O{sub 4}, the A{sub 1g} symmetric stretching mode, the F{sup (1)}{sub 2g} and the F{sup (2)}{sub 2g} symmetric bending modes identified with the Mn-O octahedra show a red shift up to Ru 0.075 and at higher Ru concentrations, revert back to the frequency corresponding to the pristine LiMn{sub 2}O{sub 4}.

  15. Soft Landing of Bare PtRu Nanoparticles for Electrochemical Reduction of Oxygen

    SciTech Connect (OSTI)

    Johnson, Grant E.; Colby, Robert J.; Engelhard, Mark H.; Moon, DaeWon; Laskin, Julia

    2015-08-07

    Magnetron sputtering of two independent Pt and Ru targets coupled with inert gas aggregation in a modified commercial source has been combined with soft landing of mass-selected ions to prepare bare 4.5 nm diameter PtRu alloy nanoparticles on glassy carbon electrodes with controlled size and morphology for electrochemical reduction of oxygen in solution. Employing atomic force microscopy (AFM) it is shown that the nanoparticles bind randomly to the glassy carbon electrode at a relatively low coverage of 7 x 104 ions µm-2 and that their average height is centered at 4 nm. Scanning transmission electron microscopy images obtained in the high-angle annular dark field mode (STEM-HAADF) further confirm that the soft-landed PtRu alloy nanoparticles are uniform in size and have a Ru core decorated with small regions of Pt on the surface. Wide-area scans of the electrodes using X-ray photoelectron spectroscopy (XPS) reveal the presence of both Pt and Ru in relative atomic concentrations of ~9% and ~33%, respectively. Deconvolution of the high energy resolution XPS spectra in the Pt4f and Ru3d regions indicates the presence of both oxidized Pt and Ru. The substantially higher loading of Ru compared to Pt and enrichment of Pt at the surface of the alloy nanoparticles is confirmed by wide-area analysis of the electrodes using time-of-flight medium energy ion scattering (TOF-MEIS) employing both 80 keV He+ and O+ ions. The activity of electrodes containing 7 x 104 ions µm-2 of bare 4.5 nm PtRu nanoparticles toward the electrochemical reduction of oxygen was evaluated employing cyclic voltammetry (CV) in 0.1 M HClO4 and 0.5 M H2SO4 solutions. In both electrolytes a pronounced reduction peak was observed during O2 purging of the solution that was not evident during purging with Ar. Repeated electrochemical cycling of the electrodes revealed little evolution in the shape or position of the voltammograms indicating high stability of the alloy nanoparticles supported on glassy

  16. Y H-S I-H HATIOHAL LEAth~~Y~~OF' OtUO ' Industrial Hygiene No...

    Office of Legacy Management (LM)

    H-S I-H HATIOHAL LEAthYOF' OtUO ' Industrial Hygiene No. P.O. Box 158)At.' He&bykation Sample Nos. ? Sk. 0 qq Cinchnail 31;Obio Type of SampleCI" lz -- HEALTH AND SAFETY ...

  17. 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.

  18. Electronic structure and magnetic properties of RuFe{sub 3}N nitride

    SciTech Connect (OSTI)

    Santos, A.V. dos; Kuhnen, C.A.

    2009-11-15

    Self-consistent band structure calculations were performed on nitride RuFe{sub 3}N in order to investigate its magnetic and ground state properties. The Linear Muffin-Tin Orbital (LMTO) method was employed and calculations were performed at several lattice parameters so as to obtain the RuFe{sub 3}N equilibrium volume. Nonmagnetic and ferromagnetic LMTO calculations have shown that the RuFe{sub 3}N stable stage is ferromagnetic with constant lattice equilibrium of 7.2502 atomic units (a.u.). At equilibrium volume the LMTO calculations have given magnetic moments of 1.25 and 1.63 mu{sub B} at Ru and Fe sites, respectively, and no magnetic moment at N sites. The analysis of states density at equilibrium volume as well as the results for charge transfer illustrates why this ruthenium nitride is ferromagnetic. The LMTO calculations anticipate that the magnetic moment, the hyperfine field (the Fermi contact) and the isomer shift show a strong dependence on the lattice spacing. - Graphical Abstract: Total energy curves, versus lattice spacing for the RuFe{sub 3}N nitride. It is observed an energy difference between ferromagnetic and paramagnetic states, which provides high critic pressure.

  19. 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

  20. 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.

  1. 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 .

  2. Computer simulation of the CSPAD, ePix10k, and RayonixMX170HS X-ray detectors

    SciTech Connect (OSTI)

    Tina, Adrienne

    2015-08-21

    The invention of free-electron lasers (FELs) has opened a door to an entirely new level of scientific research. The Linac Coherent Light Source (LCLS) at SLAC National Accelerator Laboratory is an X-ray FEL that houses several instruments, each with its own unique X-ray applications. This light source is revolutionary in that while its properties allow for a whole new range of scientific opportunities, it also poses numerous challenges. For example, the intensity of a focused X-ray beam is enough to damage a sample in one mere pulse; however, the pulse speed and extreme brightness of the source together are enough to obtain enough information about that sample, so that no further measurements are necessary. An important device in the radiation detection process, particularly for X-ray imaging, is the detector. The power of the LCLS X-rays has instigated a need for better performing detectors. The research conducted for this project consisted of the study of X-ray detectors to imitate their behaviors in a computer program. The analysis of the Rayonix MX170-HS, CSPAD, and ePix10k in particular helped to understand their properties. This program simulated the interaction of X-ray photons with these detectors to discern the patterns of their responses. A scientist’s selection process of a detector for a specific experiment is simplified from the characterization of the detectors in the program.

  3. 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.

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

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

    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

  5. 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.

  6. 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}.

  7. 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.

  8. 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.

  9. V-191: Apple Mac OS X Multiple Vulnerabilities | Department of...

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

    1: Apple Mac OS X Multiple Vulnerabilities V-191: Apple Mac OS X Multiple Vulnerabilities July 3, 2013 - 6:00am Addthis PROBLEM: Apple has issued a security update for Mac OS X...

  10. 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.

  11. 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.

  12. 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

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

    SciTech Connect (OSTI)

    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 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 s–1 and TONs >45000. The observed performance is comparable to the best electrocatalysts reported so far, at neutral pH.

  14. Electrocatalytic Reduction of Carbon Dioxide with a Well-Defined PN 3 -Ru Pincer Complex

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

    Min, Shixiong; Rasul, Shahid; Li, Huaifeng; Grills, David C.; Takanabe, Kazuhiro; Li, Lain-Jong; Huang, Kuo-Wei

    2015-11-13

    We established a well-defined PN3-Ru pincer complex (5) bearing a redox-active bipyridine ligand with an aminophosphine arm as an effective and stable molecular electrocatalyst for CO2 reduction to CO and HCOOH with negligible formation of H2 in a H2O/MeCN mixture.

  15. Influence of Electron Doping on Magnetic Order in CeRu2Al10

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

    Kobayashi, Riki; Kaneko, Koji; Saito, Kotaro; Mignot, Jean-Michel; André, Gilles; Robert, Julien; Wakimoto, Shuichi; Matsuda, Masaaki; Chi, Songxue; Haga, Yoshinori; et al

    2014-09-17

    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- 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 enhancement in its size by a factor of ~2.4, from μ=0.43 μB at x=0 to μ =1.06, 1.04, and 1.02 μB for x=0.05, 0.12 and 0.2, respectively. The continuous decrease inmore » N´eel temperature T0(TN), despite an abrupt increase in μ , underlines the strong anisotropy in the exchange interaction in CeRu2Al10, and the fact that this anisotropy is easily suppressed by electron doping.« less

  16. Headspace solid-phase microextraction (HS-SPME) for the determination of benzene, toluene, ethylbenzene, and xylenes (BTEX) in foundry molding sand

    SciTech Connect (OSTI)

    Dungan, R.S. [USDA ARS, Beltsville, MD (United States). Environmental Management & Byproducts Utilization Laboratory

    2005-07-01

    The use of headspace solid-phase microextraction (HS-SPME) to determine benzene, toluene, ethylbenzene, and xylenes (BTEX) in foundry molding sand, specifically a 'green sand' (clay-bonded sand) was investigated. The BTEX extraction was conducted using a 75 {mu} M carboxen-polydimethylsiloxane (CAR-PDMS) fiber, which was suspended above 10 g of sample. The SPME fiber was desorbed in a gas chromatograph injector port (280{sup o}C for 1 min) and the analytes were characterized by mass spectrometry. The effects of extraction time and temperature, water content, and clay and bituminous coal percentage on HS-SPME of BTEX were investigated. Because green sands contain bentonite clay and carbonaceous material such as crushed bituminous coal, a matrix effect was observed. The detection limits for BTEX were determined to be {lt}= 0.18 ng g{sup -1} of green sand.

  17. 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.

  18. 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.

  19. 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.

  20. The nature and role of bridged carbonyl intermediates in theultrafast photo-induced rearrangement of Ru3(CO)12.

    SciTech Connect (OSTI)

    Glascoe, Elizabeth A.; Kling, Matthias F.; Shanoski, Jennifer E.; Harris, Charles B.

    2005-09-18

    The photochemistry of the trimetal cluster,Ru(3)(CO)12, was investigated on the ultrafast timescale using UV-vis pump, infrared probe spectroscopy in order to study the transient intermediates formed upon photoexcitation.

  1. 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.

  2. 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.}

  3. 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.

  4. 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.

  5. 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.}

  6. 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 -}.

  7. Surfactant-thermal method to synthesize a new Zn(II)-trimesic MOF with confined Ru(bpy){sub 3}{sup 2+} complex

    SciTech Connect (OSTI)

    Xu, Hui; Gao, Junkuo; Wang, Jiangpeng; Qian, Xuefeng; Song, Ruijing; Cui, Yuanjing; Yang, Yu; Qian, Guodong

    2015-03-15

    A surfactant-thermal method was used to prepare a new zinc-1,3,5-benzentricarboxylate-based metal-organic framework (ZJU-100) with confined Ru(bpy){sub 3}{sup 2+} (RuBpy) complex by using surfactant PEG 400 as reaction medium. The RuBpy molecules were encapsulated between the 2-D sheets in ZJU-100. ZJU-100 showed bathochromic shift in the steady-state emission spectrum and increased emission lifetimes relative to RuBpy molecules. The extended lifetime is attributed to the reduced nonradiative decay rate due to the stabilization of RuBpy within the rigid MOF framework. These results represent the first example of MOF with confined complex synthesized by surfactant, indicating that the surfactant-thermal method could offer exciting opportunities for preparing new MOFs host/guest materials with novel structures and interesting luminescent properties. - Graphical abstract: A surfactant-thermal method was used to prepare a new zinc-1,3,5-benzentricarboxylate-based metal-organic framework (ZJU-100) with confined Ru(bpy){sub 3}{sup 2+} (RuBpy) complex by using surfactant PEG 400 as reaction medium. - Highlights: • Surfactant-thermal synthesis of crystalline metal-organic framework host/guest materials. • RuBpy molecules were encapsulated between the 2-D sheets of MOFs. • Extended lifetime is observed due to the stabilization of RuBpy within the rigid MOF framework.

  8. 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 .

  9. Mac OS X Printing with LPD

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

    Mac OS X Printing with LPD Last Modified by Jerry Camuso, 02/12/2015. 1 . From the "System Preferences", click on "Print & Fax" 2 . Click on "+" sign to add a new printer 3. Use "IP Printer" and select or type the following: Protocol: Line Printer Daemon - LPD Address: printserv.slac.stanford.edu Queue: Your print queue name from SLAC printserv. PLEASE NOTE: this information can be found at the bottom of this document Under "SSRL beamline print

  10. 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.

  11. 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.

  12. 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.

  13. 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.

  14. Ru/FeCoB double layered film with high in-plane magnetic anisotropy field of 500 Oe

    SciTech Connect (OSTI)

    Hirata, Ken-ichiro; Hashimoto, Atsuto; Matsuu, Toshimitsu; Nakagawa, Shigeki

    2009-04-01

    FeCoB layers prepared on Ru underlayer possess a high saturation magnetization M{sub s} and a high in-plane magnetic anisotropy filed H{sub k}. Effects of preparation conditions were investigated. Low Ar gas pressure condition and thicker film thickness were effective to attain distortion of FeCo crystallite. As the crystallinity of Ru underlayer became higher, higher H{sub k} was induced. The accumulation of anisotropic stress in the film caused by the oblique incidences of depositing atoms with high energy seems to be one of the important effects to attain high anisotropy field. It was succeeded to prepare the Ru/FeCoB film with high H{sub k} of 500 Oe.

  15. 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.

  16. 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.

  17. 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.

  18. 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.

  19. Thermal stability of hexagonal OsB2

    SciTech Connect (OSTI)

    Xie, Zhilin; Blair, Richard G.; Orlovskaya, Nina; Cullen, David A; Payzant, E Andrew

    2014-01-01

    The synthesis of novel hexagonal ReB2-type OsB2 ceramic powder was performed by high energy ball milling of elemental Os and B powders. Two different sources of B powder have been used for this mechanochemical synthesis. One B powder consisted of a mixture of amorphous and crystalline phases and a mixture of 10B and 11B isotopes with a fine particle size, while another B powder was a purely crystalline (rhombohedral) material consisting of enriched 11B isotope with coarse particle size. The same Os powder was used for the synthesis in both cases. It was established that, in the first case, the hexagonal OsB2 phase was the main product of synthesis with a small quantity of Os2B3 phase present after synthesis as an intermediate product. In the second case, where coarse crystalline 11B powder was used as a raw material, only Os2B3 boride was synthesized mechanochemically. The thermal stability of hexagonal OsB2 powder was studied by heating under argon up to 876 C and cooling in vacuo down to 225 C. During the heating, the sacrificial reaction 2OsB2+3O2 2Os+2B2O3 took place due to presence of O2/water vapor molecules in the heating chamber, resulting in the oxidation of B atoms and formation of B2O3 and precipitation of Os metal out of the OsB2 lattice. As a result of such phase changes during heating, the lattice parameters of hexagonal OsB2 changed significantly. The shrinkage of the a lattice parameter was recorded in 276 426 C temperature range upon heating, which was attributed to the removal of B atoms from the OsB2 lattice due to oxidation followed by the precipitation of Os atoms and formation of Os metal. While significant structural changes occurred upon heating due to presence of O2, the hexagonal OsB2 ceramic demonstrated good phase stability upon cooling in vacuo with linear shrinkage of the lattice parameters and no phase changes detected during cooling.

  20. Influence of Electron Doping on Magnetic Order in CeRu2Al10

    SciTech Connect (OSTI)

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

    2014-09-17

    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- 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 enhancement in its size by a factor of ~2.4, from μ=0.43 μB at x=0 to μ =1.06, 1.04, and 1.02 μB for x=0.05, 0.12 and 0.2, respectively. The continuous decrease in N´eel temperature T0(TN), despite an abrupt increase in μ , underlines the strong anisotropy in the exchange interaction in CeRu2Al10, and the fact that this anisotropy is easily suppressed by electron doping.

  1. Chemical Effect of Dry and Wet Cleaning of the Ru Protective Layer of the Extreme ultraviolet (EUV) Lithography Reflector

    SciTech Connect (OSTI)

    Belau, Leonid; Park, Jeong Y.; Liang, Ted; Seo, Hyungtak; Somorjai, Gabor A.

    2009-04-10

    The authors report the chemical influence of cleaning of the Ru capping layer on the extreme ultraviolet (EUV) reflector surface. The cleaning of EUV reflector to remove the contamination particles has two requirements: to prevent corrosion and etching of the reflector surface and to maintain the reflectivity functionality of the reflector after the corrosive cleaning processes. Two main approaches for EUV reflector cleaning, wet chemical treatments [sulfuric acid and hydrogen peroxide mixture (SPM), ozonated water, and ozonated hydrogen peroxide] and dry cleaning (oxygen plasma and UV/ozone treatment), were tested. The changes in surface morphology and roughness were characterized using scanning electron microscopy and atomic force microscopy, while the surface etching and change of oxidation states were probed with x-ray photoelectron spectroscopy. Significant surface oxidation of the Ru capping layer was observed after oxygen plasma and UV/ozone treatment, while the oxidation is unnoticeable after SPM treatment. Based on these surface studies, the authors found that SPM treatment exhibits the minimal corrosive interactions with Ru capping layer. They address the molecular mechanism of corrosive gas and liquid-phase chemical interaction with the surface of Ru capping layer on the EUV reflector.

  2. 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

  3. 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.

  4. 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

  5. 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 OC–O 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.

  6. 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

  7. Thermal stability of hexagonal OsB{sub 2}

    SciTech Connect (OSTI)

    Xie, Zhilin; Blair, Richard G.; Orlovskaya, Nina; Cullen, David A.; Andrew Payzant, E.

    2014-11-15

    The synthesis of novel hexagonal ReB{sub 2}-type OsB{sub 2} ceramic powder was performed by high energy ball milling of elemental Os and B powders. Two different sources of B powder have been used for this mechanochemical synthesis. One B powder consisted of a mixture of amorphous and crystalline phases and a mixture of {sup 10}B and {sup 11}B isotopes with a fine particle size, while another B powder was a purely crystalline (rhombohedral) material consisting of enriched {sup 11}B isotope with coarse particle size. The same Os powder was used for the synthesis in both cases. It was established that, in the first case, the hexagonal OsB{sub 2} phase was the main product of synthesis with a small quantity of Os{sub 2}B{sub 3} phase present after synthesis as an intermediate product. In the second case, where coarse crystalline {sup 11}B powder was used as a raw material, only Os{sub 2}B{sub 3} boride was synthesized mechanochemically. The thermal stability of hexagonal OsB{sub 2} powder was studied by heating under argon up to 876 °C and cooling in vacuo down to −225 °C. During the heating, the sacrificial reaction 2OsB{sub 2}+3O{sub 2}→2Os+2B{sub 2}O{sub 3} took place due to presence of O{sub 2}/water vapor molecules in the heating chamber, resulting in the oxidation of B atoms and formation of B{sub 2}O{sub 3} and precipitation of Os metal out of the OsB{sub 2} lattice. As a result of such phase changes during heating, the lattice parameters of hexagonal OsB{sub 2} changed significantly. The shrinkage of the a lattice parameter was recorded in 276–426 °C temperature range upon heating, which was attributed to the removal of B atoms from the OsB{sub 2} lattice due to oxidation followed by the precipitation of Os atoms and formation of Os metal. While significant structural changes occurred upon heating due to presence of O{sub 2}, the hexagonal OsB{sub 2} ceramic demonstrated good phase stability upon cooling in vacuo with linear shrinkage of the lattice

  8. 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

  9. Low-temperature crystal and magnetic structure of α – RuCl3

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

    Cao, Huibo B.; Yan, Jiaqiang; Bridges, Craig A.; Lumsden, Mark D.; Mandrus, D. G.; Chakoumakos, Bryan C.; Nagler, Stephen E.; Banerjee, A.; Tennant, D. A.

    2016-04-19

    Here, single crystals of the Kitaev spin-liquid candidate α – RuCl3 have been studied to determine the low-temperature bulk properties, the structure, and the magnetic ground state. Refinements of x-ray diffraction data show that the low-temperature crystal structure is described by space group C2/m with a nearly perfect honeycomb lattice exhibiting less than 0.2% in-plane distortion. The as-grown single crystals exhibit only one sharp magnetic transition at TN = 7 K. The magnetic order below this temperature exhibits a propagation vector of k=(0,1,1/3), which coincides with a three-layer stacking of the C2/m unit cells. Magnetic transitions at higher temperatures upmore » to 14 K can be introduced by deformations of the crystal that result in regions in the crystal with a two-layer stacking sequence. The best-fit symmetry-allowed magnetic structure of the as-grown crystals shows that the spins lie in the ac plane, with a zigzag configuration in each honeycomb layer. The three-layer repeat out-of-plane structure can be refined as a 120° spiral order or a collinear structure with a spin direction of 35° away from the a axis. The collinear spin configuration yields a slightly better fit and also is physically preferred. The average ordered moment in either structure is less than 0.45(5) μB per Ru3+ ion.« less

  10. Fischer-Tropsch Synthesis: Assessment of the Ripening of Cobalt Clusters and Mixing Between Co and Ru Promoter via Oxidation-Reduction-Cycles over Lower Co-Loaded Ru-Co/A12O3 Catalysts

    SciTech Connect (OSTI)

    Jacobs,G.; Sarkar, A.; Ji, Y.; Luo, M.; Dozier, A.; Davis, B.

    2008-01-01

    A 2% Ru-promoted 15% Co/Al2O3 catalyst was tested after reduction and after being subjected to oxidation-reduction cycles. The catalysts were characterized over four oxidation-reduction cycles by XANES/EXAFS, TPR, HRTEM, and EDS elemental mapping. The oxidation-reduction treatments were found to assist in sintering the metallic clusters to a larger size, and to promote mixing on at least the order of the nanoscale. The larger crystallites in closer proximity to the Ru promoter led to a more facile reduction of the cobalt crystallites. In addition, a catalyst exposed to two oxidation-reduction cycles resulted in slightly higher conversion, higher a-value product, slightly lower methane selectivity, and greater stability over a reduced freshly calcined catalyst.

  11. 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.

  12. 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

  13. 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.

  14. Giant spontaneous Hall effect in zero-moment Mn{sub 2}Ru{sub x}Ga

    SciTech Connect (OSTI)

    Thiyagarajah, Naganivetha; Lau, Yong-Chang; Betto, Davide; Borisov, Kiril; Coey, J. M. D.; Stamenov, Plamen; Rode, Karsten

    2015-03-23

    Spin-dependent transport properties of Mn{sub 2}Ru{sub x}Ga thin-films are studied as function of the Ru concentration and the substrate-induced strain. The large spontaneous Hall angle of 7.7% twenty times bigger than in other 3d metals is a signature of its half-metallicity. The compensation temperature where the magnetization of the two inequivalent antiferromagnetically coupled Mn sublattices cancel can be tuned by varying x or the biaxial strain. This zero-moment half metal is free from demagnetizing forces and creates no stray field, effectively removing two obstacles to integrating magnetic elements in densely packed, nanometer-scale memory elements, and millimeter-wave generators.

  15. Nuclear Physics for the Re/Os Clock

    SciTech Connect (OSTI)

    Mosconi, M.; Koehler, Paul Edward; Collaboration, n_TOF

    2008-01-01

    Dating the age of the universe by the {beta}-decay of {sup 187}Re (t{sub 1/2} = 41.2 Gyr) requires the accurate assessment of the s-process reaction flow. The daughter nucleus {sup 187}Os as well as its immediate s-only neighbor {sup 186}Os are shielded from the r-process. Therefore, the radiogenic contribution to {sup 187}Os can be derived via the local approximation of the s-process, which is well justified in this mass region: ({l_angle}{sigma}{r_angle}N{sub s})187 = ({l_angle}{sigma}{r_angle}N{sub s})186. Accordingly, accurate Maxwellian-averaged (n, {gamma}) cross sections have to be known for {sup 186}Os and {sup 187}Os over the full range of s-process temperatures. Because {sup 187}Os has low-lying excited states, which are significantly populated during the s-process, neutron captures on these excited states have to be properly taken into account. The input for the corresponding Hauser-Feshbach calculations can be constrained by deriving the strength functions from a detailed resonance analysis of the measured (n, {gamma}) cross sections as well as by an additional measurement of the inelastic scattering cross section for the first exited level, which dominates the competition between the capture and scattering channels. This contribution reports on measurements of the neutron capture cross sections of {sup 186}Os, {sup 187}Os and {sup 188}Os from the eV region to 1 MeV at the CERN/n{_}TOF facility and of the inelastic scattering cross section of {sup 187}Os around 30 keV at the Karlsruhe 3.7 MV Van de Graaff accelerator. Based on these results and on a detailed resonance analysis, improved Maxwellian-averaged cross sections were obtained for thermal energies between 5 keV and 100 keV. The implications of these results for the Re/Os clock are discussed.

  16. Anisotropy of electrical and magnetic transport properties of epitaxial SrRuO{sub 3} thin films

    SciTech Connect (OSTI)

    Ning, X. K.; Wang, Z. J. Zhang, Z. D.

    2015-03-07

    SrRuO{sub 3} (SRO) thin films with different thickness (2–70 nm) have been grown on (001), (110), and (111) SrTiO{sub 3} substrates. The (001)-SRO films (2–8 nm) exhibited smooth flat surfaces whereas the (110)- and (111)-SRO films featured a faceted island structure. Room temperature resistivity and residual resistivity are the lowest for the (111)-SRO films (30–70 nm). Over all thicknesses, we observed enhanced magnetization in the (111)-SRO films (∼4 μ{sub B}/Ru) compared with that for the (001)- and (110)-SRO films (∼2 μ{sub B}/Ru and ∼3 μ{sub B}/Ru, respectively), suggesting a low-spin state t{sub 2g}(3↑,1↓), high-spin state t{sub 2g}(3↑)e{sub g}(1↑), and mixed low- and high-spin states for the (001)-, (111)-, and (110)-SRO films, respectively. The dependence of resistivity on temperatures near T{sub C} follows a power law with exponent β = 0.312 and β = 0.363 for the (110)- and (111)-SRO films, respectively. These critical exponents are consistent with magnetic data with scaling law M = C (T{sub C} − T){sup β}. At low temperatures, dM/dT and dρ/dT show a linear relationship in the temperature range for the Fermi liquid. These results suggest that the intrinsic electrical and magnetic transport properties are coupled.

  17. Neutron Capture Cross Sections for the Re/Os Clock

    SciTech Connect (OSTI)

    Mosconi, M.; Heil, M.; Kaeppeler, F.; Plag, R.; Voss, F.; Wisshak, K.; Mengoni, A.; Cennini, P.; Chiaveri, E.; Ferrari, A.; Fitzpatrick, L.; Herrera-Martinez, A.; Kadi, Y.; Sarchiapone, L.; Vlachoudis, V.; Wendler, H.; Aerts, G.; Andriamonje, S.; Berthoumieux, E.; Dridi, W.

    2005-05-24

    The radioactive decay of 187Re {yields} 187Os (t1/2 = 43 Gyr) is suited for dating the onset of heavy-element nucleosynthesis. The radiogenic contribution to the 187Os abundance is the difference between the natural abundance and the corresponding s-process component. This component can be obtained via the well-established {sigma}N systematics using the neighboring s-only isotope 186Os, provided the neutron-capture cross sections of both isotopes are known with sufficient accuracy. We report on a new set of experiments performed with a C6D6 detector array at the n{sub T}OF neutron spallation facility of CERN. The capture cross sections of 186Os, 187Os, and 188Os have been measured in the neutron-energy range between 1 eV and 1 MeV, and Maxwellian-averaged cross sections were deduced for the relevant thermal energies from kT=5 keV to 100 keV.

  18. Oxidation and reduction under cover: Chemistry at the confined space between ultra-thin nanoporous silicates and Ru(0001)

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

    J. Anibal Boscoboinik; Zhong, Jian -Qiang; Kestell, John; Waluyo, Iradwikanari; Wilkins, Stuart; Mazzoli, Claudio; Barbour, Andi; Kaznatcheev, Konstantine; Shete, Meere; Tsapatsis, Michael

    2016-03-23

    The oxidation and reduction of Ru(0001) surfaces at the confined space between two-dimensional nanoporous silica frameworks and Ru(0001) have been investigated using synchrotron-based ambient pressure X-ray photoelectron spectroscopy (AP-XPS). The porous nature of the frameworks and the weak interaction between the silica and the ruthenium substrate allow oxygen and hydrogen molecules to go through the nanopores and react with the metal at the interface between the silica framework and the metal surface. In this work, three types of two-dimensional silica frameworks have been used to study their influence in the oxidation and reduction of the ruthenium surface at elevated pressuresmore » and temperatures. These frameworks are bilayer silica (0.5 nm thick), bilayer aluminosilicate (0.5 nm thick), and zeolite MFI nanosheets (3 nm thick). It is found that the silica frameworks stay essentially intact under these conditions, but they strongly affect the oxidation of ruthenium, with the 0.5 nm thick aluminosilicate bilayer completely inhibiting the oxidation. Furthermore, the latter is believed to be related to the lower chemisorbed oxygen content arising from electrostatic interactions between the negatively charged aluminosilicate framework and the Ru(0001) substrate.« less

  19. V-137: Apple Mac OS X update for Java | Department of Energy

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

    7: Apple Mac OS X update for Java V-137: Apple Mac OS X update for Java April 18, 2013 - 6:00am Addthis PROBLEM: Apple Mac OS X update for Java PLATFORM: Mac OS X 10.6, OS X Lion...

  20. Sorption of carboxylic acid from carboxylic salt solutions at pHs close to or above the pK[sub a] of the acid, with regeneration with an aqueous solution of ammonia or low-molecular-weight alkylamine

    DOE Patents [OSTI]

    King, C.J.; Tung, L.A.

    1992-07-21

    Carboxylic acids are sorbed from aqueous feedstocks at pHs close to or above the acids' pH[sub a] into a strongly basic organic liquid phase or onto a basic solid adsorbent or moderately basic ion exchange resin. The acids are freed from the sorbent phase by treating it with aqueous alkylamine or ammonia thus forming an alkylammonium or ammonium carboxylate which dewatered and decomposed to the desired carboxylic acid and the alkylamine or ammonia. 8 figs.

  1. 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

  2. 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

  3. Ceria nanoclusters on graphene/Ru(0001): A new model catalyst system

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

    Novotny, Z.; Netzer, F. P.; Dohnalek, Z.

    2016-03-22

    In this study, the growth of ceria nanoclusters on single-layer graphene on Ru(0001) has been examined, with a view towards fabricating a stable system for model catalysis studies. The surface morphology and cluster distribution as a function of oxide coverage and substrate temperature has been monitored by scanning tunneling microscopy (STM), whereas the chemical composition of the cluster deposits has been determined by Auger electron spectroscopy (AES). The ceria nanoparticles are of the CeO2(111)-type and are anchored at the intrinsic defects of the graphene surface, resulting in a variation of the cluster densities across the macroscopic sample surface. The ceriamore » clusters on graphene display a remarkable stability against reduction in ultrahigh vacuum up to 900 K, but some sintering of clusters is observed for temperatures > 450 K. The evolution of the cluster size distribution suggests that the sintering proceeds via a Smoluchowski ripening mechanism, i.e. diffusion and aggregation of entire clusters.« less

  4. V-115: Apple iOS Bugs Let Local Users Gain Elevated Privileges...

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

    5: Apple iOS Bugs Let Local Users Gain Elevated Privileges V-115: Apple iOS Bugs Let Local Users Gain Elevated Privileges March 20, 2013 - 12:08am Addthis PROBLEM: Apple iOS Bugs...

  5. Residential Lighting Usage Estimate Tool, v1.0, MacOS version...

    Energy Savers [EERE]

    MacOS version Residential Lighting Usage Estimate Tool, v1.0, MacOS version MacOS version of the Residential Lighting Usage Estimate Tool, v1.0. Spreadsheet More Documents &...

  6. 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

  7. Structure and Reactivity of Pt-Ru/SiO2 Catalysts for the Preferential Oxidation of CO Under Excess H2

    SciTech Connect (OSTI)

    Chin,S.; Alexeev, O.; Amiridis, J.

    2006-01-01

    SiO{sub 2}-supported Pt-Ru bimetallic catalysts subjected to two different types of pretreatment protocols (i.e., subsequent oxidation-reduction treatments at 300 C and direct reduction in H{sub 2} at 300 C) were characterized by extended X-ray absorption fine structure spectroscopy (EXAFS), scanning transmission electron microscopy (STEM), Fourier transform infrared spectroscopy (FTIR) of adsorbed CO, and catalytic activity measurements for the preferential oxidation of CO in the presence of excess H{sub 2} (PROX). The EXAFS data show that both treatments led to the formation of dispersed bimetallic structures, with an average Pt-Ru bond distance of 2.68 {angstrom}. The close proximity between Pt and Ru helped stabilize Ru in a highly dispersed form and prevented its sintering after oxidation treatments. The FTIR results indicate that the adsorption of CO was substantially weaker on bimetallic samples than on the corresponding monometallic ones. Interparticle segregation (i.e., segregation of the two metals into individual particles) was observed with the Pt-Ru/SiO{sub 2} sample exposed to direct H{sub 2} treatment; in contrast, intraparticle segregation (i.e., segregation of the two metals within the same particle), with Pt preferentially occupying more surface sites, was observed when consequent O{sub 2}/H{sub 2} treatments were used. As a result, the direct H{sub 2} treatment yielded samples with PROX activity almost identical to that of monometallic Ru catalysts, whereas the O{sub 2}/H{sub 2} treatment yielded samples with PROX activity intermediate to those of monometallic Pt and Ru catalysts.

  8. Mini-Ckpts: Surviving OS Failures in Persistent Memory

    SciTech Connect (OSTI)

    Fiala, David; Mueller, Frank; Ferreira, Kurt Brian; Engelmann, Christian

    2016-01-01

    Concern is growing in the high-performance computing (HPC) community on the reliability of future extreme-scale systems. Current efforts have focused on application fault-tolerance rather than the operating system (OS), despite the fact that recent studies have suggested that failures in OS memory are more likely. The OS is critical to a system's correct and efficient operation of the node and processes it governs -- and in HPC also for any other nodes a parallelized application runs on and communicates with: Any single node failure generally forces all processes of this application to terminate due to tight communication in HPC. Therefore, the OS itself must be capable of tolerating failures. In this work, we introduce mini-ckpts, a framework which enables application survival despite the occurrence of a fatal OS failure or crash. Mini-ckpts achieves this tolerance by ensuring that the critical data describing a process is preserved in persistent memory prior to the failure. Following the failure, the OS is rejuvenated via a warm reboot and the application continues execution effectively making the failure and restart transparent. The mini-ckpts rejuvenation and recovery process is measured to take between three to six seconds and has a failure-free overhead of between 3-5% for a number of key HPC workloads. In contrast to current fault-tolerance methods, this work ensures that the operating and runtime system can continue in the presence of faults. This is a much finer-grained and dynamic method of fault-tolerance than the current, coarse-grained, application-centric methods. Handling faults at this level has the potential to greatly reduce overheads and enables mitigation of additional fault scenarios.

  9. Anomalous volume expansion in CaRu{sub 0.85}Fe{sub 0.15}O{sub 3}: Neutron powder diffraction and magnetic Compton scattering

    SciTech Connect (OSTI)

    Taniguchi, T.; Mizusaki, S.; Okada, N.; Nagata, Y.; Mori, K.; Wuernisha, T.; Kamiyama, T.; Hiraoka, N.; Itou, M.; Sakurai, Y.; Ozawa, T. C.; Noro, Y.; Samata, H.

    2007-01-01

    Neutron powder diffraction and magnetic Compton scattering measurements were conducted for ferromagnetic CaRu{sub 0.85}Fe{sub 0.15}O{sub 3} at temperatures between 10 and 300 K. Anomalous volume expansion was observed in the neutron diffraction measurement below the Curie temperature (85 K), and Invar-like behavior was observed below 40 K. However, no structural phase transition was observed down to 10 K. The strong correlation between the volume expansion, {delta}V, and the square magnetization, M{sup 2}, suggests that the anomalous volume expansion is due to the magnetovolume effect that is caused by the occurrence of ferromagnetism. The magnetic Compton scattering experiments revealed the existence of a magnetic moment on Ru and the antiferromagnetic configuration of Fe and Ru moments. The formation of a ferrimagnetic order through the induction of the magnetic moment on the Ru ion is a possible reason for the anomalous volume expansion observed for CaRu{sub 0.85}Fe{sub 0.15}O{sub 3}.

  10. 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.

  11. 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.

  12. 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

  13. 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.

  14. 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.

  15. Hexagonal OsB2: Sintering, microstructure and mechanical properties

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

    Xie, Zhilin; Lugovy, Mykola; Orlovskaya, Nina; Graule, Thomas; Kuebler, Jakob; Mueller, Martin; Gao, Huili; Radovic, Miladin; Cullen, David A.

    2015-02-07

    In this study, the metastable high pressure ReB2-type hexagonal OsB2 bulk ceramics was produced by spark plasma sintering. The phase composition, microstructure, and mechanical behavior of the sintered OsB2 were studied by X-ray diffraction, optical microscopy, TEM, SEM, EDS, and nanoindentation. The produced ceramics was rather porous and contained a mixture of hexagonal (~80 wt.%) and orthorhombic (~20 wt.%) phases as identified by X-ray diffraction and EBSD analysis. Two boron-rich phases, which do not contain Os, were also identified by TEM and SEM/EDS analysis. Nanoindentation measurements yielded a hardness of 31 ± 9 GPa and Young’s modulus of 574 ±more » 112 GPa, indicating that the material is rather hard and very stiff; but, it is very prone to crack formation and propagation, which is indicative of a very brittle nature of this material. Improvements in the sintering regime are required in order to produce dense, homogeneous and single phase hexagonal OsB2 bulk ceramics.« less

  16. 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

  17. 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.

  18. 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.

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

    SciTech Connect (OSTI)

    Ongrai, O.; Pearce, J. V.; Machin, G.; Sweeney, S. J.

    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.

  20. Spontaneous orientation-tuning driven by the strain variation in self-assembled ZnO-SrRuO{sub 3} heteroepitaxy

    SciTech Connect (OSTI)

    Zhu, Yuanmin; Liu, Ruirui; Zhan, Qian; Chang, Wei Sea; Yu, Rong; Wei, Tzu-Chiao; He, Jr-Hau; Chu, Ying-Hao

    2015-11-09

    Heteroepitaxial ZnO and SrRuO{sub 3} were grown on SrTiO{sub 3} (111) substrates and formed a self-assembled wurtzite-perovskite nanostructure. Spontaneous orientation-tuning of the SrRuO{sub 3} pillars was observed, with the growth direction changing from [111]{sub SRO} to [011]{sub SRO} as the film thickness increased, which is attributed to a misfit strain transition from the biaxial strain imposed by the SrTiO{sub 3} substrate to the vertical strain provided by the ZnO matrix. The [011]-SrRuO{sub 3} and [0001]-ZnO combination presents a favorable matching in the nanocomposite films, resulting in higher charge carrier mobility. This vertically integrated configuration and regulation on the crystallographic orientations are expected to be employed in designing multi-functional nanocomposite systems for applications in electronic devices.

  1. 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.

  2. Neutron physics of the Re/Os clock. I. Measurement of the (n, ) cross sections of 186,187,188Os at the CERN n TOF facility

    SciTech Connect (OSTI)

    Mosconi, M.; Fujii, K.; Mengoni, A.; Domingo-Pardo, C.; Kappeler, F.; Koehler, Paul Edward

    2010-01-01

    The precise determination of the neutron capture cross sections of 186Os and 187Os is important to define the s-process abundance of 187Os at the formation of the solar system. This quantity can be used to evaluate the radiogenic component of the abundance of 187Os due to the decay of the unstable 187Re (t1/2 = 41.2 Gyr) and from this to infer the time duration of the nucleosynthesis in our galaxy (Re/Os cosmochronometer). The neutron capture cross sections of 186Os, 187Os, and 188Os have been measured at the CERN n TOF facility from 1 eV to 1 MeV, covering the entire energy range of astrophysical interest. The measurement has been performed by time-of-flight technique using isotopically enriched samples and two C6D6 scintillation detectors for recording the prompt rays emitted in the capture events. Maxwellian averaged capture cross sections have been determined for thermal energies between kT = 5 and 100 keV corresponding to all possible s-process scenarios. The estimated uncertainties for the values at 30 keV are 4.1, 3.3, and 4.7% for 186Os, 187Os, and 188Os, respectively.

  3. 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

  4. 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.

  5. 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).

  6. Application of the sup 187 Re- sup 187 Os system to black shale geochronometry

    SciTech Connect (OSTI)

    Ravizza, G.; Turekain, K.K. )

    1989-12-01

    The decay of {sup 187}Re to {sup 187}Os provides a tool for determining depositional ages of black shales. Re and Os concentrations and Os isotopic compositions of whole rock samples of the Bakken Shale, a Mississippian/Devonian boundary black shale, yield a whole rock isochron with an age of 354 {plus minus} 49 Ma. This age is in agreement with the accepted age of the Bakken Shale ({approx}360 Ma). The initial {sup 187}Os/{sup 186}Os ratio of the isochron is 6.2 {plus minus} 3.3. This value is indistinguishable from the {sup 187}Os/{sup 186}Os ratios observed in modern Black Sea sediments. The concentration of common Os in Bakken Shale samples is strongly correlated with total nitrogen, indicating that a large fraction of the Os in these samples is associated with a hydrogenous component, which overwhelms any Os supplied to the sediment in association with detrital material or cosmic dust. The dominance of the hydrogenous component imparts a relatively homogeneous initial {sup 187}Os/{sup 186}Os ratio to the sediment at the time of deposition. The degree of scatter about the isochron exceeds the degree of scatter expected from either analytical error or from the estimated degree of initial isotopic heterogeneity. The pattern of scatter is consistent with postdepositional mobilization of Re and/or Os on a small spatial scale. The author suggest that this mobilization may be a consequence of petroleum formation and migration in the Bakken Shale.

  7. Population of 195Os via a deep-inelastic reaction

    SciTech Connect (OSTI)

    Valiente-Dobon, J.J.; Wheldon, C.; Regan, P.H.; Langdown, S.D.; Yamamoto, A.D.; Wu, C.Y.; Cline, D.; Hayes, A.; Hua, H.; Teng, R.; Andreoiu, C.; Svensson, C.E.; Chapman, R.; Liang, X.; Fallon, P.; Lee, I.Y.; Macchiavelli, A.O.; Ward, D.; Freeman, S. J.; Smith, J.F.

    2004-09-13

    The present work reports on the {sub 76}{sup 195}Os isotope, which is the most neutron-rich osmium isotope for which transitions have been measured. It has been populated following a multi-nucleon transfer reaction between a thin {sub 78}{sup 198}Pt target and an 850-MeV {sub 54}{sup 136}Xe beam. Evidence from {gamma}-ray coincidences has been found for an I{sup {pi}} = ((27/2){sup -}) isomeric state with a measured half-life of 26 {+-} 9ns.

  8. U-107: Cisco NX-OS IP Packet Processing Flaw Lets Remote Users...

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

    07: Cisco NX-OS IP Packet Processing Flaw Lets Remote Users Deny Service U-107: Cisco NX-OS IP Packet Processing Flaw Lets Remote Users Deny Service February 21, 2012 - 6:00am ...

  9. Electronic structure and magnetic properties of NaOsO3 (Journal...

    Office of Scientific and Technical Information (OSTI)

    Electronic structure and magnetic properties of NaOsO3 Title: Electronic structure and magnetic properties of NaOsO3 Authors: Du, Yongping ; Wan, Xiangang ; Sheng, Li ; Dong, ...

  10. V-069: BlackBerry Tablet OS Adobe Flash Player and Samba Multiple...

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

    9: BlackBerry Tablet OS Adobe Flash Player and Samba Multiple Vulnerabilities V-069: BlackBerry Tablet OS Adobe Flash Player and Samba Multiple Vulnerabilities January 15, 2013 -...

  11. 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.

  12. 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.

  13. Analysis of the electrochemical characteristics of a direct methanol fuel cell based on a Pt-Ru/C anode catalyst

    SciTech Connect (OSTI)

    Arico, A.S.; Creti, P.; Mantegna, R.

    1996-12-31

    This paper deals with a vapour-feed direct methanol fuel cell (DMFC) based on a Nafion 117{reg_sign} solid polymer electrolyte. Pt-Ru/C and Pt/C catalysts were employed for methanol oxidation and oxygen reduction, respectively. Structure and surface chemistry of catalysts were investigated by X-ray powder diffraction (XRD) and X-ray photoelectron spectroscopy (XPS). Membrane/electrode assembly (M&E) was prepared by using a {open_quotes}paste process{close_quotes} method. Electrical power densities of about 150 mW cm{sup -2} were obtained at 95{degrees} C with Pt loadings of 0.8 and 0.5 mg cm{sup -2} at anode and cathode respectively.

  14. V-165: Cisco WebEx for iOS Certificate Validation Flaw Lets Remote Users

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

    Spoof the Server | Department of Energy 65: Cisco WebEx for iOS Certificate Validation Flaw Lets Remote Users Spoof the Server V-165: Cisco WebEx for iOS Certificate Validation Flaw Lets Remote Users Spoof the Server May 28, 2013 - 12:46am Addthis PROBLEM: Cisco WebEx for iOS Certificate Validation Flaw Lets Remote Users Spoof the Server PLATFORM: Cisco WebEx for iOS 4.1, Other versions may also be affected. ABSTRACT: A vulnerability was reported in Cisco WebEx for iOS. REFERENCE LINKS:

  15. 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.

  16. Pressure suppression of unconventional charge-density-wave state in PrRu4P12 studied by optical conductivity

    SciTech Connect (OSTI)

    Okamura H.; Carr G.; Ohta, N.; Takigawa, A.; Matsutori, I.; Shoji, K.; Miyata, K.; Matsunami, M.; Nanba, T.; Sugawara, H.; Sekine, C.; Shirotani, I.; Sato, H.; Moriwaki, T.; Ikemoto, Y.; Liu, Z.

    2012-05-09

    Optical conductivity [{delta}({omega})] of PrRu{sub 4}P{sub 12} has been studied under high pressure to 14 GPa, at low temperatures to 8 K, and at photon energies 12 meV-1.1 eV. The energy gap in {delta}({omega}) at ambient pressure, caused by a metal-insulator transition due to an unconventional charge-density-wave formation at 63 K, is gradually filled in with increasing pressure to 10 GPa. At 14 GPa and below 30 K, {delta}({omega}) exhibits a pronounced Drude-type component due to free carriers. This indicates that the initial insulating ground state at zero pressure has been turned into a metallic one at 14 GPa. This is consistent with a previous resistivity study under pressure, where the resistivity rapidly decreased with cooling below 30 K at 14 GPa. The evolution of electronic structure with pressure is discussed in terms of the hybridization between the 4f and conduction electrons.

  17. 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

  18. 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.

  19. T-585: Mac OS X v10.6.7 Security Update 2011-001

    Broader source: Energy.gov [DOE]

    Mac OS Update: Mac OS 10.6.7 fixes multiple vulnerabilities in the following release. This update can be installed on non-startup volumes, but you should only do this if the current startup volume has already been updated to Mac OS X Server v10.6.7. The simplest way to avoid issues from an improper installation is to start up from the volume that you wish to update.

  20. Virginia Tech Operating System (OS) built on VOLTTRONTM for Energy Management in Buildings

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

    Murat Kuzlu (mkuzlu@vt.edu) Virginia Tech Virginia Tech Operating System (OS) built on VOLTTRON TM for Energy Management in Buildings HVAC Controllers Lighting Controllers Lighting circuit(s) Plug load Controllers July 24, 2014 Plug load circuit(s) Manisa Pipattanasomporn (mpipatta@vt.edu) Virginia Tech 2 Outline System architecture - VT OS Software architecture - VT OS Operating system and framework layer implemented using VOLTTRON TM Device Discovery Agent Live Demonstration 3 ZigBee mesh

  1. T-676: Apple iOS Certificate Chain Validation Flaw Lets Certain Remote

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

    Users Access or Modify SSL/TLS Sessions | Department of Energy 76: Apple iOS Certificate Chain Validation Flaw Lets Certain Remote Users Access or Modify SSL/TLS Sessions T-676: Apple iOS Certificate Chain Validation Flaw Lets Certain Remote Users Access or Modify SSL/TLS Sessions July 26, 2011 - 1:06am Addthis PROBLEM: A vulnerability was reported in Apple iOS. A remote user with the ability to conduct a man-in-the-middle attack can access or modify SSL/TLS sessions. PLATFORM: iOS 4.2.5

  2. V-054: IBM WebSphere Application Server for z/OS Arbitrary Command Execution Vulnerability

    Broader source: Energy.gov [DOE]

    A vulnerability was reported in the IBM HTTP Server component 5.3 in IBM WebSphere Application Server (WAS) for z/OS

  3. V-158: BlackBerry Tablet OS Flash Player Multiple Vulnerabilities

    Broader source: Energy.gov [DOE]

    Multiple vulnerabilities have been reported in BlackBerry Tablet OS, which can be exploited by malicious people to bypass certain security restrictions and compromise a user's system.

  4. U-228: BlackBerry Tablet OS Flash Player Multiple Vulnerabilities...

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

    Addthis PROBLEM: BlackBerry Tablet OS Flash Player Multiple Vulnerabilities PLATFORM: Adobe Flash Player versions included with BlackBerry PlayBook tablet software versions...

  5. T-632: Google Chrome OS before R12 0.12.433.38 Beta Update

    Broader source: Energy.gov [DOE]

    CVE-2011-2171 addresses unspecified vulnerabilities in the dbugs package of Google Chrome OS. Prior versions of Google Chrome can be fixed by updating to the current release. Information and content related to this CVE was last updated on 05/25/2011. To find out more information about Chromium OS Security and Reported Bugs, please visit: The Chromium Projects Security Overview.

  6. Superconductivity in the presence of disorder in skutterudite-related La3Co4Sn13 and La3Ru4Sn13 compounds: Electrical transport and magnetic studies

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

    Slebarski, A.; Maska, M. M.; Fijalkowski, M.; McElroy, C. A.; Maple, M. B.

    2015-06-25

    La3Co4Sn13 and La3Ru4Sn13 were categorized as BCS superconductors. In a plot of the critical field Hc2 vs T, La3Ru4Sn13 displays a second superconducting phase at the higher critical temperature Tc*, characteristic of inhomogeneous superconductors, while La3Co4Sn13 shows bulk superconductivity below Tc. We observe a decrease in critical temperatures with external pressure and magnetic field for both compounds. Additionally, for La3Ru4Sn13 we find that Tc*/dP>dTc/dP. The pressure dependences of Tc are interpreted according to the McMillan theory and understood to be a consequence of lattice stiffening. The investigation of the superconducting state of La3CoxRu4–xSn13 shows a Tc* that is larger thenmore » Tc for x < 4. Furthermore, this unique and unexpected observation is discussed as a result of the local disorder and/or the effect of chemical pressure when Ru atoms are partially replaced by smaller Co atoms.« less

  7. Microsoft Word - 15-HS.02 Rev 8

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

    ... 101413 Deleted in subsection 5.3.1 physical examination requirement. Modified... Technician EPA U.S. Environmental Protection Agency EST Emergency Services ...

  8. Neutron physics of the Re/Os clock. III. Resonance analyses and stellar (n,gamma) cross sections of {sup 186,187,188}Os

    SciTech Connect (OSTI)

    Fujii, K.; Abbondanno, U.; Belloni, F.; Milazzo, P. M.; Moreau, C.; Mosconi, M.; Kaeppeler, F.; Audouin, L.; Dillmann, I.; Heil, M.; Plag, R.; Voss, F.; Walter, S.; Wisshak, K.; Mengoni, A.; Domingo-Pardo, C.; Aerts, G.; Andriamonje, S.; Berthoumieux, E.; Dridi, W.

    2010-07-15

    Neutron resonance analyses have been performed for the capture cross sections of {sup 186}Os, {sup 187}Os, and {sup 188}Os measured at the n{sub T}OF facility at cern. Resonance parameters have been extracted up to 5, 3, and 8 keV, respectively, using the sammy code for a full R-matrix fit of the capture yields. From these results average resonance parameters were derived by a statistical analysis to provide a comprehensive experimental basis for modeling of the stellar neutron capture rates of these isotopes in terms of the Hauser-Feshbach statistical model. Consistent calculations for the capture and inelastic reaction channels are crucial for the evaluation of stellar enhancement factors to correct the Maxwellian averaged cross sections obtained from experimental data for the effect of thermally populated excited states. These factors have been calculated for the full temperature range of current scenarios of s-process nucleosynthesis using the combined information of the experimental data in the region of resolved resonances and in the continuum. The consequences of this analysis for the s-process component of the {sup 187}Os abundance and the related impact on the evaluation of the time duration of galactic nucleosynthesis via the Re/Os cosmochronometer are discussed.

  9. Neutron physics of the Re/Os clock. III. Resonance analyses and stellar (n, ) cross sections of 186,187,188Os

    SciTech Connect (OSTI)

    Fujii, K.; Koehler, Paul Edward

    2010-01-01

    Neutron resonance analyses have been performed for the capture cross sections of 186Os, 187Os, and 188Os measured at the n TOF facility at CERN. Resonance parameters have been extracted up to 5, 3, and 8 keV, respectively, using the SAMMY code for a full R-matrix fit of the capture yields. From these results average resonance parameters were derived by a statistical analysis to provide a comprehensive experimental basis for modeling of the stellar neutron capture rates of these isotopes in terms of the Hauser-Feshbach statistical model. Consistent calculations for the capture and inelastic reaction channels are crucial for the evaluation of stellar enhancement factors to correct the Maxwellian averaged cross sections obtained from experimental data for the effect of thermally populated excited states. These factors have been calculated for the full temperature range of current scenarios of s-process nucleosynthesis using the combined information of the experimental data in the region of resolved resonances and in the continuum. The consequences of this analysis for the s-process component of the 187Os abundance and the related impact on the evaluation of the time duration of galactic nucleosynthesis via the Re/Os cosmochronometer are discussed.

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

    SciTech Connect (OSTI)

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

    2015-09-07

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

  11. Neutron physics of the Re/Os clock. II. The (n,n{sup '}) cross section of {sup 187}Os at 30 keV neutron energy

    SciTech Connect (OSTI)

    Mosconi, M.; Heil, M.; Kaeppeler, F.; Plag, R.; Mengoni, A.

    2010-07-15

    The inelastic neutron-scattering cross section of {sup 187}Os has been determined in a time-of-flight experiment at the Karlsruhe 3.7-MV Van de Graaff accelerator. An almost monoenergetic beam of 30-keV neutrons was produced at the threshold of the {sup 7}Li(p,n){sup 7}Be reaction. Information on the inelastic channel is required for reliable calculations of the so-called stellar enhancement factor, by which the laboratory cross section of {sup 187}Os must be corrected in order to account for the thermal population of low-lying excited states at the temperatures of s-process nucleosynthesis, in particular of the important state at 9.75 keV. This correction represents a crucial step in the interpretation of the {sup 187}Os/{sup 187}Re pair as a cosmochronometer.

  12. Phosphorescence quenching by mechanical stimulus in CaZnOS:Cu

    SciTech Connect (OSTI)

    Tu, Dong; Kamimura, Sunao; Xu, Chao-Nan; Fujio, Yuki; Sakata, Yoshitaro; Ueno, Naohiro

    2014-07-07

    We have found that phosphorescence intensity of CaZnOS:Cu decreased visibly under an applied load. This mechanical quenching (MQ) of phosphorescence in CaZnOS:Cu corresponded to the mechanical stimuli. We have thus demonstrated that the MQ of CaZnOS:Cu could be used for visualizing stress distributions in practical applications. We propose that MQ arises from non-radiative recombination due to electron-transfer from trap levels to non-radiative centers as a result of the mechanical load.

  13. Hopper OS upgrade and new SW set to default next Wed, Feb 27

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

    OS upgrade and new SW set to default next Wed, Feb 27 Hopper OS upgrade and new SW set to default next Wed, Feb 27 February 21, 2013 by Helen He 1) There will be a scheduled hardware and software maintenance for Hopper next Wednesday, February 27, from 7 am to 7 pm Pacific time. This is a major OS upgrade. Most applications are highly recommended to recompile (or at least relink) after the maintenance. C++ and PGAS applications are recommended to recompile and relink. Please plan your work

  14. U-107: Cisco NX-OS IP Packet Processing Flaw Lets Remote Users Deny Service

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

    | Department of Energy 07: Cisco NX-OS IP Packet Processing Flaw Lets Remote Users Deny Service U-107: Cisco NX-OS IP Packet Processing Flaw Lets Remote Users Deny Service February 21, 2012 - 6:00am Addthis PROBLEM: A vulnerability was reported in Cisco NX-OS. A remote user can cause denial of service conditions. PLATFORM: Nexus 1000v, 5000, and 7000 Series Switches ABSTRACT: A remote user can send a specially crafted IP packet to cause the target device to reload. reference LINKS: Cisco

  15. Ultra-high-performance core–shell 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

    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 that 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.

  16. 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

  17. 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.

  18. U-165: Apple iOS Bugs Let Remote Users Execute Arbitrary Code...

    Energy Savers [EERE]

    iOS. A remote user can cause arbitrary code to be executed on the target user's system. ... A remote user can create a specially crafted file that, when loaded by the target user, ...

  19. Calorimetric, spectroscopic and structural investigations of phase polymorphism in [Ru(NH{sub 3}){sub 6}](BF{sub 4}){sub 3}. Part I

    SciTech Connect (OSTI)

    Dolega, Diana; Mikuli, Edward; Inaba, Akira; Gorska, Natalia; Holderna-Natkaniec, Krystyna; Nitek, Wojciech

    2013-01-15

    Four crystalline phases of the coordination compound [Ru(NH{sub 3}){sub 6}](BF{sub 4}){sub 3} are identified by adiabatic calorimetry. Three phase transitions, one at T{sub C3}(IV{yields}III)=30.7 K, the second at T{sub C2}(III{yields}II)=91.7 K (both accompanied by comparable entropy changes 3.0 and 3.1 J K{sup -1} mol{sup -1}, respectively) and the third at T{sub C1}(II{yields}I)=241.6 K (accompanied by an entropy change of 8.1 J K{sup -1} mol{sup -1}) were discovered. X-ray single crystal diffraction (at 293 K) demonstrates that phase I is a highly dynamic disordered cubic phase (Fm3{sup Macron }m, No. 225) with two types of BF{sub 4}{sup -} anions differing in a degree of disorder. In phase II (at 170 K) the structure remains cubic (Ia3{sup Macron }, No. 206), with two different types of cations and four different types of anions. Splitting of certain IR bands connected with NH{sub 3} ligands at the observed phase transitions suggests a lowering of the symmetry of the [Ru(NH{sub 3}){sub 6}]{sup 3+} complex cation. Both NH{sub 3} ligands and BF{sub 4}{sup -} anions perform fast reorientations ({tau}{sub R} Almost-Equal-To 10{sup -12} s), which are significantly slowed down below the phase transition at T{sub C3}. {sup 1}H NMR studies led to estimate the values of the activation energy of NH{sub 3} ligands reorientation in the phases II and I as equal to {approx}8 kJ mol{sup -1}. In phase I the whole hexammineruthenium(III) cations reorientation as a tumbling process can be noticed. The activation energy value of this motion is {approx}24 kJ mol{sup -1}. {sup 19}F NMR studies give the values of the activation energy of BF{sub 4}{sup -} anions reorientation as {approx}6 kJ mol{sup -1}. Above the phase transition temperature half of BF{sub 4}{sup -} anions perform a tumbling motion with E{sub a} Almost-Equal-To 8 kJ mol{sup -1}. - Graphical abstract: A series of complementary methods, such as Adiabatic Calorimetry, Differential Scanning Calorimetry, Fourier

  20. K{sub 2}NaOsO{sub 5.5} and K{sub 3}NaOs{sub 2}O{sub 9}: The first osmium perovskites containing alkali cations at the 'A' site

    SciTech Connect (OSTI)

    Mogare, Kailash M.; Klein, Wilhelm; Jansen, Martin

    2012-07-15

    K{sub 2}NaOsO{sub 5.5} and K{sub 3}NaOs{sub 2}O{sub 9} were obtained from solid-state reactions of potassium superoxide, sodium peroxide and osmium metal at elevated oxygen pressures. K{sub 2}NaOsO{sub 5.5} crystallizes as an oxygen-deficient cubic double perovskite in space group Fm3{sup Macron }m with a=8.4184(5) A and contains isolated OsO{sub 6} octahedra. K{sub 3}NaOs{sub 2}O{sub 9} crystallizes hexagonally in P6{sub 3}/mmc with a=5.9998(4) A and c=14.3053(14) A. K{sub 3}NaOs{sub 2}O{sub 9} consists of face sharing Os{sub 2}O{sub 9} pairs of octahedra. According to magnetic measurements K{sub 2}NaOsO{sub 5.5} is diamagnetic, whereas K{sub 3}NaOs{sub 2}O{sub 9} displays strong antiferromagnetic coupling (T{sub N}=140 K), indicating enhanced magnetic interactions within the octahedral pair. - Graphical abstract: High oxidation states of Os, obtained by high oxygen pressure synthesis, are accommodated in double and triple perovskite matrices. K{sub 3}NaOs{sub 2}O{sub 9} displays enhanced magnetic interactions. Highlights: Black-Right-Pointing-Pointer New osmates containing highly oxidized Os were obtained by high O{sub 2} pressure synthesis. Black-Right-Pointing-Pointer High oxidation states of Os are accommodated in double and triple perovskite matrices. Black-Right-Pointing-Pointer Both compounds represent the first Os perovskites with an alkali metal at the A site. Black-Right-Pointing-Pointer K{sub 3}NaOs{sub 2}O{sub 9} displays enhanced magnetic interactions within the octahedral pair.

  1. Ru!fsa!!

    Office of Legacy Management (LM)

    ... l l more d e t a i l . , 1.1avc ,touched upon, is 1:e):f orn'.A on u s t e t i s t : i . c n l L>:isis t h a t i n c l u d e s a measuse of tlic sr:..:isln.ic da.i:a :;cat.::er. ...

  2. Neutron physics of the Re/Os clock. I. Measurement of the (n,gamma) cross sections of {sup 186,187,188}Os at the CERN n{sub T}OF facility

    SciTech Connect (OSTI)

    Mosconi, M.; Kaeppeler, F.; Audouin, L.; Dillmann, I.; Heil, M.; Plag, R.; Voss, F.; Walter, S.; Wisshak, K.; Fujii, K.; Abbondanno, U.; Belloni, F.; Milazzo, P. M.; Moreau, C.; Mengoni, A.; Domingo-Pardo, C.; Aerts, G.; Andriamonje, S.; Berthoumieux, E.; Dridi, W.

    2010-07-15

    The precise determination of the neutron capture cross sections of {sup 186}Os and {sup 187}Os is important to define the s-process abundance of {sup 187}Os at the formation of the solar system. This quantity can be used to evaluate the radiogenic component of the abundance of {sup 187}Os due to the decay of the unstable {sup 187}Re (t{sub 1/2}=41.2 Gyr) and from this to infer the time duration of the nucleosynthesis in our galaxy (Re/Os cosmochronometer). The neutron capture cross sections of {sup 186}Os, {sup 187}Os, and {sup 188}Os have been measured at the CERN n{sub T}OF facility from 1 eV to 1 MeV, covering the entire energy range of astrophysical interest. The measurement has been performed by time-of-flight technique using isotopically enriched samples and two C{sub 6}D{sub 6} scintillation detectors for recording the prompt gamma rays emitted in the capture events. Maxwellian averaged capture cross sections have been determined for thermal energies between kT=5 and 100 keV corresponding to all possible s-process scenarios. The estimated uncertainties for the values at 30 keV are 4.1, 3.3, and 4.7% for {sup 186}Os, {sup 187}Os, and {sup 188}Os, respectively.

  3. 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.

  4. 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.

  5. 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+).

  6. 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

  7. Business_Practice_Standards_Draft_WEB_OS_06-11-15

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

    Consolidation (API 5.d R09015) Business Practice Standards Draft WEQ OS Marie Pompel - June 2015 B O N N E V I L L E P O W E R A D M I N I S T R A T I O N Timeline API 5.d -...

  8. U-121: Apple iOS Bugs Let Remote Users Execute Arbitrary Code...

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

    ID: 1026774 Apple Security Updates About the security content of iOS 5.1 Software Update CVE-2012-0641, CVE-2012-0642, CVE-2012-0643, CVE-2011-3453, CVE-2012-0644, CVE-2012-0585,...

  9. T-634: Apple Mac OS X MacDefender Fake Antivirus Malicious Software

    Office of Energy Efficiency and Renewable Energy (EERE)

    Apple Mac OS X users could infect their systems after visiting a malicious web page. Reports suggest that the Apple Safari web browser could allow automatic download and execution of the JavaScript-based malware because of an incorrectly set security option in Safari.

  10. Lifetimes of the first excited 2{sup +} states in {sup 176,178,180}Os

    SciTech Connect (OSTI)

    Moeller, O.; Melon, B.; Dewald, A.; Fitzler, A.; Jolie, J.; Christen, S.; Saha, B.; Zell, K.O.; Heidemann, M.; Petkov, P.; Tonev, D.

    2005-09-01

    By use of the pulsed-beam technique, the lifetimes of the first excited 2{sup +} states in {sup 176,178}Os were measured for the first time and the lifetime of the 2{sub 1}{sup +} state in {sup 180}Os was determined to a greater accuracy. In addition, for {sup 178}Os, a recoil-distance Doppler-shift experiment and an experiment to measure the nuclear deorientation effect that is due to the hyperfine interactions were also performed. The results obtained from this measurement are consistent with the lifetime value extracted by means of the pulsed-beam experiment. As well, the lifetimes of two I{sup {pi}}=7{sup -} isomers in {sup 180}Os were determined more accurately. Together with previously published data for the even-even osmium isotopes, the newly determined B(E2,2{sub 1}{sup +}{yields}0{sub 1}{sup +}) transition strengths show a maximum value at the N=104 midshell. This maximum corresponds to the simple expectation of the N{sub {pi}}N{sub {nu}} rule of the interacting boson approximation (IBA) but remains to be explained by microscopic models.

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

    SciTech Connect (OSTI)

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

    2015-10-27

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

  12. Spin-orbit coupling controlled ground state in Sr2ScOsO6

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

    Taylor, A. E.; Morrow, R.; Fishman, R. S.; Calder, S.; Kolesnikov, A. I.; Lumsden, M. D.; Woodward, P. M.; Christianson, A. D.

    2016-06-27

    In this paper, we report neutron scattering experiments which reveal a large spin gap in the magnetic excitation spectrum of weakly-monoclinic double perovskite Sr2ScOsO6. The spin gap is demonstrative of appreciable spin-orbit-induced anisotropy, despite nominally orbitally-quenched 5d3Os5+ ions. The system is successfully modeled including nearest neighbor interactions in a Heisenberg Hamiltonian with exchange anisotropy. We find that the presence of the spin-orbit-induced anisotropy is essential for the realization of the type I antiferromagnetic ground state. Finally, this demonstrates that physics beyond the LS or JJ coupling limits plays an active role in determining the collective properties of 4d3 and 5d3more » systems and that theoretical treatments must include spin-orbit coupling.« less

  13. T-529: Apple Mac OS PackageKit Distribution Script Remote Code Execution Vulnerability

    Broader source: Energy.gov [DOE]

    A format string issue exists in PackageKit's handling of distribution scripts. A man-in-the-middle attacker may be able to cause an unexpected application termination or arbitrary code execution when Software Update checks for new updates. This issue is addressed through improved validation of distribution scripts. This issue does not affect systems prior to Mac OS X v10.6.

  14. Simple description of light W, Os, and Pt nuclei in the interacting boson model

    SciTech Connect (OSTI)

    McCutchan, E.A.; Zamfir, N.V.

    2005-05-01

    A simple, two-parameter IBA-1 Hamiltonian is applied to light W, Os, and Pt nuclei with N {<=} 104. Equal emphasis is placed on fitting all low-lying positive parity excitations resulting in a good description of energy levels and electromagnetic transition rates. A mapping of these parameters into the IBA symmetry triangle finds that these nuclei lie rather central in the triangle and close to the phase transition region of the IBA model.

  15. Synthesis, crystal structure investigation and magnetism of the complex metal-rich boride series Cr{sub x}(Rh{sub 1-y}Ru{sub y}){sub 7-x}B{sub 3} (x=0.88-1; y=0-1) with Th{sub 7}Fe{sub 3}-type structure

    SciTech Connect (OSTI)

    Misse, Patrick R.N.; Mbarki, Mohammed; Fokwa, Boniface P.T.

    2012-08-15

    Powder samples and single crystals of the new complex boride series Cr{sub x}(Rh{sub 1-y}Ru{sub y}){sub 7-x}B{sub 3} (x=0.88-1; y=0-1) have been synthesized by arc-melting the elements under purified argon atmosphere on a water-cooled copper crucible. The products, which have metallic luster, were structurally characterized by single-crystal and powder X-ray diffraction as well as EDX measurements. Within the whole solid solution range the hexagonal Th{sub 7}Fe{sub 3} structure type (space group P6{sub 3}mc, no. 186, Z=2) was identified. Single-crystal structure refinement results indicate the presence of chromium at two sites (6c and 2b) of the available three metal Wyckoff sites, with a pronounced preference for the 6c site. An unexpected Rh/Ru site preference was found in the Ru-rich region only, leading to two different magnetic behaviors in the solid solution: The Rh-rich region shows a temperature-independent (Pauli) paramagnetism whereas an additional temperature-dependent paramagnetic component is found in the Ru-rich region. - Graphical abstract: The new complex boride series Cr{sub x}(Rh{sub 1-y}Ru{sub y}){sub 7-x}B{sub 3} (x=0.88-1; y=0-1) has been synthesized by arc melting the elements under purified argon atmosphere. Beside the 3d/4d site preference within the whole solid solution, an unexpected Rh/Ru site preference was found in the Ru-rich region only, leading to two different magnetic behaviors: The Rh-rich region shows a temperature-independent (Pauli) paramagnetism whereas an additional temperature-dependent paramagnetic component is found in the Ru-rich region. Highlights: Black-Right-Pointing-Pointer Synthesis of a new boride series fulfilling Vegard Acute-Accent s rule. Black-Right-Pointing-Pointer 3d/4d site preference. Black-Right-Pointing-Pointer Unexpected Ru/Rh site preference. Black-Right-Pointing-Pointer Rh-rich region is Pauli paramagnetic. Black-Right-Pointing-Pointer Ru-rich region is Pauli and temperature-dependent paramagnetic.

  16. Photodisintegration of the isotopes {sup 186,188,189,190,192}Os: Similarities and distinctions

    SciTech Connect (OSTI)

    Varlamov, V. V.; Makarov, M. A.; Peskov, N. N.; Stepanov, M. E.

    2015-09-15

    In addition to the results obtained earlier for the isotopes {sup 188,189}Os, experimental data on the photodisintegration of the isotopes {sup 186,190,192}Os are analyzed on the basis of specially introduced objective criteria of reliability of data on the cross sections for partial photoneutron reactions. It is found that the (γ, 1n), (γ, 2n), and (γ, 3n) cross sections for each isotope satisfy differently or, on the contrary, do not satisfy the data-reliability criteria. In many cases, the multiplicity transition functions specified as the ratios F{sub i} = σ(γ, in)/σ(γ, xn) of the cross sections for the (γ, in) partial reactions to the neutron-yield reaction cross section σ(γ, xn) = σ(γ, 1n) + 2σ(γ, 2n) + 3σ(γ, 3n) +... have values that are physically unreliable by definition. It is shown that ambiguities in the dependence of significant systematic uncertainties in experimentally determined neutron multiplicities on the measured kinetic energies is the reason for this. The dependence of these uncertainties on the energy spectra of neutrons is analyzed. For the isotopes {sup 186,190,192}Os, new evaluated data satisfying the data-reliability criteria are obtained for the cross sections for partial and total photoneutron reactions.

  17. 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.

  18. Microstructure of (110)-Oriented Epitaxial SrRuO3 Thin Films Grown on Off-Cut Single Crystal YSZ(100) Substrates

    SciTech Connect (OSTI)

    Zhu, Xinhua; Lee, Sung Kyun; Lee, Ho Nyung; Hesse, Dietrich

    2005-01-01

    The microstructure of (1 1 0){sup pc}-oriented epitaxial SrRuO{sub 3} (SRO) thin films grown by pulsed laser deposition on (1 0 0)YSZ (YSZ: yttria-stabilized zirconia) single crystal substrates with a miscut angle of 5{sup o} has been investigated by X-ray diffraction (XRD) and transmission electron microscopy (TEM). The films grow epitaxially with their pseudocubic (1 1 0) plane parallel to the (1 0 0) surface of the YSZ single crystal substrate, and with an in-plane orientation relationship of [{ovr 1} 1 1]{sub SRO}//[0 1 1]{sub YSZ}. Cross-sectional TEM investigations show that the films have a rough, facetted surface. Generally, four different azimuthal domains are present in (1 1 0)SRO films on (1 0 0)YSZ. Their number can be significantly reduced using annealed offcut YSZ substrates before SRO deposition, and this reduction effect is shown to be much stronger on [0 1 1]-miscut (1 0 0)YSZ than on [0 0 1]-miscut ones. Size and morphology of the azimuthal pseudocubic domains and their domain boundaries, as well as of anti-phase domains and their domain boundaries are studied by plan-view and cross-section TEM.

  19. 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.

  20. 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

  1. 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

  2. U-165: Apple iOS Bugs Let Remote Users Execute Arbitrary Code and Spoof Address Bar URLs

    Broader source: Energy.gov [DOE]

    Two vulnerabilities were reported in Apple iOS. A remote user can cause arbitrary code to be executed on the target user's system. A remote user can spoof the address bar URL.

  3. 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

  4. Fragile singlet ground-state magnetism in the pyrochlore osmates R2Os2O7 ( R=Y and Ho)

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

    Zhao, Z. Y.; Calder, S.; Aczel, A. A.; McGuire, M. A.; Sales, B. C.; Mandrus, D. G.; Chen, G.; Trivedi, N.; Zhou, H. D.; Yan, J. -Q.

    2016-04-25

    The singlet ground state magnetism in pyrochlore osmates Y2Os2O7 and Ho2Os2O7 is studied by DC and AC susceptibility, specific heat, and neutron powder di raction measurements. Despite the expected non-magnetic singlet in the strong spin-orbit coupling (SOC) limit for Os4+ (5d4), Y2Os2O7 exhibits a spin-glass (SG) ground state below 4 K with weak magnetism, suggesting possible proximity to a quantum phase transition between the non-magnetic state in the strong SOC limit and the magnetic state in the strong superexchange limit. Ho2Os2O7 has the same structural distortion as occurs in Y2Os2O7. However, the Os sublattice in Ho2Os2O7 shows long- range magneticmore » ordering below 36 K. We find that the sharp difference of the magnetic ground state between Y2Os2O7 and Ho2Os2O7 signals the singlet ground state magnetism in R2 Os2 O7 is fragile and can be disturbed by the weak 4f—5d interactions.« less

  5. Magnetically Driven Metal-Insulator Transition in NaOsO3

    SciTech Connect (OSTI)

    Calder, Stuart A [ORNL; Christianson, Andrew D [ORNL; Lumsden, Mark D [ORNL; Lang, Jonathan [Argonne National Laboratory (ANL); Stone, Matthew B [ORNL; McMorrow, D. F. [University College, London; Garlea, Vasile O [ORNL; Kim, Jong-Woo [Argonne National Laboratory (ANL); Schlueter, J. A. [Argonne National Laboratory (ANL); Shi, Y. G. [Chinese Academy of Sciences; Yamaura, K. [National Institute for Materials Science, Tsukuba, Japan; Sun, Y. S. [MANA; Tsujimoto, Y. [Kyoto University, Japan

    2012-01-01

    The metal-insulator transition (MIT) is one of the most dramatic manifestations of electron correlations in materials. Various mechanisms producing MITs have been extensively considered, including the Mott (electron localization via Coulomb repulsion), Anderson (localization via disorder), and Peierls (local- ization via distortion of a periodic one-dimensional lattice) mechanisms. One additional route to a MIT proposed by Slater, in which long-range magnetic order in a three dimensional system drives the MIT, has received relatively little attention. Using neutron and x-ray scattering we show that the MIT in NaOsO3 is coincident with the onset of long-range commensurate three dimensional magnetic order. While candidate materials have been suggested, our experimental methodology allows the first definitive demonstration of the long predicted Slater MIT.

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

    SciTech Connect (OSTI)

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

    2015-03-21

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

  7. Structurally-driven metal-insulator transition in Ca{sub 2}Ru{sub 1-x}Cr{sub x}O{sub 4} (0{<=}x<0.14): A single crystal X-ray diffraction study

    SciTech Connect (OSTI)

    Qi, T.F.; Ge, M.; Korneta, O.B.; Parkin, S.; De Long, L.E.; Cao, G.

    2011-04-15

    Correlation between structure and transport properties are investigated in high-quality single-crystals of Ca{sub 2}Ru{sub 1-x}Cr{sub x}O{sub 4} with 013.5% and the system behaves as an insulator. Such a large, sharp metal-insulator transition and tuneable transition temperature may have potential applications in electronic devices. -- Graphical abstract: The metal-insulator transition temperature (T{sub MI}) was drastically reduced by Cr doping, and is closely related to the distortion of structure. Display Omitted Research highlights: {yields} The metal-insulator transition temperature (T{sub MI}) was drastically reduced by doping Cr into Ca{sub 2}RuO{sub 4} single crystal. {yields} Detailed single crystal structural analysis provided important insight into this structurally-driven metal-insulator transition. {yields} Negative Volume Thermal Expansion (NVTE) was observed with increasing temperature.

  8. Magnetic order and electronic structure of 5d3 double perovskite Sr2ScOsO6

    SciTech Connect (OSTI)

    Calder, Stuart A; Morrow, Ryan; Taylor, Alice E; Lumsden, Mark D; Woodward, Patrick; Christianson, Andrew D; Singh, David J

    2015-01-01

    The magnetic susceptibility, crystal and magnetic structures, and electronic structure of double perovskite Sr2ScOsO6 are reported. Using both neutron and x-ray powder diffraction we find that the crystal structure is monoclinic P21/n from 3.5 to 300 K. Magnetization measurements indicate an antiferromagnetic transition at TN=92 K, one of the highest transition temperatures of any double perovskite hosting only one magnetic ion. Type I antiferromagnetic order is determined by neutron powder diffraction, with an Os moment of only 1.6(1) muB, close to half the spin-only value for a crystal field split 5d electron state with t2g^3 ground state. Density functional calculations show that this reduction is largely the result of strong Os-O hybridization, with spin-orbit coupling responsible for only a ~0.1 muB reduction in the moment.

  9. U-264: Apple OS X Lets Remote Users Execute Arbitrary Code and Local Users Gain Elevated Privileges

    Office of Energy Efficiency and Renewable Energy (EERE)

    Several vulnerabilities were reported in Apple OS X. A remote user can execute arbitrary code on the target system. A remote user can obtain a password hash in certain cases. A local user can obtain elevated privileges on the target system. A local user can obtain password keystrokes.

  10. Manipulating the ferromagnetism in narrow-bandwidth Pr{sub 1-x}Ca{sub x}MnO{sub 3} (0 ≤ x ≤ 0.6) by means of the Mn-Ru t{sub 2g} ferromagnetic super-exchanges

    SciTech Connect (OSTI)

    Wang, Y. L.; Liu, M. F.; Xie, Y. L.; Yan, Z. B.; Dong, S.; Liu, J.-M.

    2015-09-28

    The concurrent ferromagnetic and metal-insulator transitions via the double-exchange route and electronic phase separation scenario represent the core ingredients of the physics of manganites. In this work, a Ca{sup 2+} and Ru{sup 4+} co-substitution of Pr{sup 3+} and Mn{sup 3+} in narrow-bandwidth and insulating PrMnO{sub 3}, namely, Pr{sub 1-x}Ca{sub x}Mn{sub 1-x}Ru{sub x}O{sub 3} (PCMRO, x ≤ 0.6), is carried out in order to investigate an alternative approach to effectively manipulate the ferromagnetism of PrMnO{sub 3}-based manganites. It is revealed that PCMRO over the whole substitution range is homogeneous solid solution with increased lattice distortion. The preference of Ru{sup 4+} valence state and the absence of Mn{sup 4+} valence state disable the Mn{sup 3+}-Mn{sup 4+} e{sub g}-orbital double-exchange, and the random occupation of Ru{sup 4+} in the lattice excludes the charge ordering and electronic phase separation. While all these consequences should favor antiferromagnetic insulating states, nevertheless, a high-temperature ferromagnetic transition is triggered by the co-substitution and the magnetization can reach up to ∼1.0 μ{sub B}/f.u. at x ∼ 0.2–0.3, much bigger than the moment (<0.1 μ{sub B}/f.u.) of Pr{sub 1−x}Ca{sub x}MnO{sub 3} in the weak ferromagnetic insulator state. It is suggested that this strong ferromagnetism is substantially ascribed to the Mn{sup 3+}-Ru{sup 4+} t{sub 2g}-orbital ferromagnetic super-exchange, and a simple geometric network illustration of the magnetism and electrical transport is presented.

  11. SHERPA DHS HS-STEM Summer Internship Summary Paper

    SciTech Connect (OSTI)

    Smith, Max Olan

    2015-07-01

    This report describes the Standard Unified Modeling and Mapping Integration Toolkit (SUMMIT) and how it can be used to prepare and plan for homeland emergencies.

  12. Enhanced inverse spin Hall contribution at high microwave power levels in La{sub 0.67}Sr{sub 0.33}MnO{sub 3}/SrRuO{sub 3} epitaxial bilayers

    SciTech Connect (OSTI)

    Haidar, S. M. Lustikova, J.; Shiomi, Y.; Saitoh, E.

    2015-10-12

    We have investigated microwave power dependence of dc voltage generated upon ferromagnetic resonance in a La{sub 0.67}Sr{sub 0.33}MnO{sub 3}/SrRuO{sub 3} epitaxial bilayer film at room temperature. With increasing microwave power above ∼75 mW, the magnitude of the voltage signal decreases as the sample temperature approaches the Curie temperature of La{sub 0.67}Sr{sub 0.33}MnO{sub 3} due to heating effects. By analyzing the dependence of the voltage signal on the direction of the magnetic field, we show that with increasing microwave power the contribution from the inverse spin Hall effect becomes more dominant than that from the anisotropic magnetoresistance effect.

  13. Synthesis of the Stereoisomeric Clusters 1,2-Os3(CO)10(trans-dpmn) and 1,2-Os3(CO)10(cis-dpmn) [where dpmn = 2,3-bis(diphenylphosphinomethyl)-5-norbornene]: DFT Evaluation of the Isomeric Clusters 1,2-Os3(CO)10(dpmn) and Isomer-Dependent Diphosphine Ligand Activation

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

    Yang, Li; Nesterov, Vladimir N.; Wang, Xiaoping; Richmond, Michael G.

    2014-07-23

    The bicyclic diphosphines trans- and cis-2,3-bis(diphenylphosphinomethyl)-5-norbornene (dpmn) react with 1,2-Os3(CO)10(MeCN)2 (1) to furnish the corresponding ligand-bridged clusters Os3(CO)10(trans-dpmn) (2) and Os3(CO)10(cis-dpmn) (3). Both new products have been isolated and the molecular structures established by X-ray diffraction analyses. The dihydroxyl-bridged cluster 1,2-Os3(CO)8(μ-OH)2(cis-dpmn) (4), which accompanied the formation of 3 in one reaction, has been isolated and characterized by mass spectrometry and X-ray crystallography. Whereas cluster 2 is stable in toluene at 373 K, 3 is thermally sensitive under identical conditions and undergoes loss of CO (2 equiv), coupled with the activation of three norbornene C-H bonds and one P-C(phenyl) bond, tomore » furnish the dihydride cluster H2Os3(CO)8[μ3-2-PhPC-3-endo-Ph2PCH2(C7H7)] (5). The solid-state structure of 5 confirms the multiple activation of the cis-dpmn ligand and accompanying formation of the face-capping 2-PhPC-3-endo-Ph2PCH2(C7H7) moiety in the product. DFT calculations on 2 and 3 indicate that the former cluster is the thermodynamically more stable isomer, and the conversion of 3→ 5 + 2CO + benzene is computed to be exergonic by 12.7 kcal/mol and is entropically favored due to the release of the CO and benzene by-products.« less

  14. Antiferromagnetic transitions of osmium-containing rare earth double perovskites Ba{sub 2}LnOsO{sub 6} (Ln=rare earths)

    SciTech Connect (OSTI)

    Hinatsu, Yukio Doi, Yoshihiro; Wakeshima, Makoto

    2013-10-15

    The perovskite-type compounds containing both rare earth and osmium Ba{sub 2}LnOsO{sub 6} (Ln=Pr, Nd, SmLu) have been prepared. Powder X-ray diffraction measurements and Rietveld analysis show that Ln{sup 3+} and Os{sup 5+} ions are structurally ordered at the M site of the perovskite BaMO{sub 3}. Magnetic susceptibility and specific heat measurements show that an antiferromagnetic ordering of Os{sup 5+} ions has been observed for Ba{sub 2}LnOsO{sub 6} (Ln=Pr, Nd, Sm, Eu, Gd, Lu) at 6571 K. Magnetic ordering of Ln{sup 3+} moments occurs when the temperature is furthermore decreased. - Graphical abstract: The perovskite-type compounds containing both rare earth and osmium Ba{sub 2}LnOsO{sub 6} (Ln=Pr, Nd, SmLu) have been prepared. An antiferromagnetic ordering of Os{sup 5+} ions has been observed for Ba{sub 2}LnOsO{sub 6} (Ln=Pr, Nd, Sm, Eu, Gd, Lu) at 6571 K. Measurements and analysis of the specific heat for Ba{sub 2}PrOsO{sub 6} show that magnetic ordering of the Pr{sup 3+} moments should have occurred at ?20 K. Display Omitted.

  15. Magnetic order and electronic structure of 5d3 double perovskite Sr2ScOsO6

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

    Taylor, A. E.; Morrow, R.; Singh, D. J.; Calder, S.; Lumsden, M. D.; Woodward, P. M.; Christianson, A. D.

    2015-03-01

    The magnetic susceptibility, crystal and magnetic structures, and electronic structure of double perovskite Sr2ScOsO6 are reported. Using both neutron and x-ray powder diffraction we find that the crystal structure is monoclinic P21/n from 3.5 to 300 K. Magnetization measurements indicate an antiferromagnetic transition at TN=92 K, one of the highest transition temperatures of any double perovskite hosting only one magnetic ion. Type I antiferromagnetic order is determined by neutron powder diffraction, with an Os moment of only 1.6(1) muB, close to half the spin-only value for a crystal field split 5d electron state with t2g^3 ground state. Density functional calculationsmore » show that this reduction is largely the result of strong Os-O hybridization, with spin-orbit coupling responsible for only a ~0.1 muB reduction in the moment.« less

  16. High-pressure synthesis, crystal structure and magnetic properties of double perovskite oxide Ba{sub 2}CuOsO{sub 6}

    SciTech Connect (OSTI)

    Feng, Hai L.; Arai, Masao; Matsushita, Yoshitaka; Tsujimoto, Yoshihiro; Yuan, Yahua; Sathish, Clastin I.; He, Jianfeng; Tanaka, Masahiko; Yamaura, Kazunari

    2014-09-15

    A new compositional double perovskite oxide Ba{sub 2}CuOsO{sub 6} was synthesized under high-pressure (6 GPa) and high-temperature (1500 °C) conditions. The polycrystalline Ba{sub 2}CuOsO{sub 6} was characterized by synchrotron X-ray diffraction, thermogravimetric analysis, and magnetic susceptibility, isothermal magnetization, and specific heat measurements. The oxide crystallizes in a double-perovskite structure with an I4/m space group, in which Os(VI) and Cu(II) are ordered in the perovskite B-site. Ba{sub 2}CuOsO{sub 6} is electrically insulating with an activation energy of 0.813(2) eV and shows antiferromagnetic-like characteristics at temperatures of ∼55 K and ∼70 K. The results of the first-principle calculation suggested that the spin–orbit interaction of Os(VI) plays a substantial role in the insulating state. The Jahn–Teller distortion of CuO{sub 6} octahedra influences the magnetic characteristics with regard to possible two-dimensional magnetic correlations. - Graphical abstract: A new compositional double perovskite oxide Ba{sub 2}CuOsO{sub 6} synthesized by a high-pressure (6 GPa) and high-temperature (1500 °C) method. - Highlights: • A new compositional double perovskite oxide Ba{sub 2}CuOsO{sub 6} was synthesized. • Ba{sub 2}CuOsO{sub 6} is electrically insulating and antiferromagnetic below ∼70 K. • The Jahn–Teller distortion of CuO{sub 6} has relevance to possible magnetic anisotropy.

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

    SciTech Connect (OSTI)

    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.; Janoschek, M.

    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 determined 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.

  18. 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.

  19. 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.

  20. 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.

  1. Oxygen trapped by rare earth tetrahedral clusters in Nd4FeOS6: Crystal structure, electronic structure, and magnetic properties

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

    Lin, Qisheng; Taufour, Valentin; Zhang, Yuemei; Wood, Max; Drtina, Thomas; Bud’ko, Sergey L.; Canfield, Paul C.; Miller, Gordon J.

    2015-05-22

    Single crystals of Nd4FeOS6 were grown from an Fe-S eutectic solution. Single crystal X-ray diffraction analysis revealed a Nd4MnOSe6-type structure (P63mc, a = 9.2693(1) Å, c = 6.6650(1) Å, V = 495.94(1) Å3, Z = 2), featuring parallel chains of face-sharing [FeS6x1/2]4- trigonal antiprisms and interlinked [Nd4OS3]4+ cubane-like clusters. Oxygen atoms were found to be trapped by Nd4 clusters in the [Nd4OS3]4+ chains. Structural differences among Nd4MnOSe6-type Nd4FeOS6 and the related La3CuSiS7- and Pr8CoGa3-type structures have been described. Magnetic susceptibility measurements on Nd4FeOS6 suggested the dominance of antiferromagnetic interactions at low temperature, but no magnetic ordering down to 2 Kmore » was observed. Spin-polarized electronic structure calculations revealed magnetic frustration with dominant antiferromagnetic interactions.« less

  2. 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

  3. Magnetic order and electronic structure of 5d3 double perovskite Sr2ScOsO6

    SciTech Connect (OSTI)

    Taylor, A. E.; Morrow, R.; Singh, D. J.; Calder, S.; Lumsden, M. D.; Woodward, P. M.; Christianson, A. D.

    2015-03-01

    The magnetic susceptibility, crystal and magnetic structures, and electronic structure of double perovskite Sr2ScOsO6 are reported. Using both neutron and x-ray powder diffraction we find that the crystal structure is monoclinic P21/n from 3.5 to 300 K. Magnetization measurements indicate an antiferromagnetic transition at TN=92 K, one of the highest transition temperatures of any double perovskite hosting only one magnetic ion. Type I antiferromagnetic order is determined by neutron powder diffraction, with an Os moment of only 1.6(1) muB, close to half the spin-only value for a crystal field split 5d electron state with t2g^3 ground state. Density functional calculations show that this reduction is largely the result of strong Os-O hybridization, with spin-orbit coupling responsible for only a ~0.1 muB reduction in the moment.

  4. Kinetic and Mechanistic Studies of Carbon-to-Metal Hydrogen Atom Transfer Involving Os-Centered Radicals: Evidence for Tunneling

    SciTech Connect (OSTI)

    Lewandowska-Androlojc, Anna; Grills, David C.; Zhang, Jie; Bullock, R. Morris; Miyazawa, Akira; Kawanishi, Yuji; Fujita, Etsuko

    2014-03-05

    We have investigated the kinetics of novel carbon-to-metal hydrogen atom transfer reactions, in which homolytic cleavage of a C-H bond is accomplished by a single metal-centered radical. Studies by means of time-resolved IR spectroscopic measurements revealed efficient hydrogen atom transfer from xanthene, 9,10-dihydroanthracene and 1,4-cyclohexadiene to Cp(CO)2Os• and (n5-iPr4C5H)(CO)2Os• radicals, formed by photoinduced homolysis of the corresponding osmium dimers. The rate constants for hydrogen abstraction from these hydrocarbons were found to be in the range 1.54 × 105 M 1 s 1 -1.73 × 107 M 1 s-1 at 25 °C. For the first time, kinetic isotope effects for carbon-to-metal hydrogen atom transfer were determined. Large primary kinetic isotope effects of 13.4 ± 1.0 and 16.6 ± 1.4 were observed for the hydrogen abstraction from xanthene to form Cp(CO)2OsH and (n5-iPr4C5H)(CO)2OsH, respectively, at 25 °C. Temperature-dependent measurements of the kinetic isotope effects over a 60 -C temperature range were carried out to obtain the difference in activation energies and the pre-exponential factor ratio. For hydrogen atom transfer from xanthene to (n5-iPr4C5H)(CO)2Os•, the (ED - EH) = 3.25 ± 0.20 kcal/mol and AH/AD = 0.056 ± 0.018 values are greater than the semi-classical limits and thus suggest a quantum mechanical tunneling mechanism. The work at BNL was carried out under contract DE-AC02-98CH10886 with the U.S. Department of Energy and supported by its Division of Chemical Sciences, Geosciences & Biosciences, Office of Basic Energy Sciences. RMB also thanks the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences & Biosciences for support. Pacific Northwest National Laboratory is operated by Battelle for the U.S. Department of Energy.

  5. Oxygen trapped by rare earth tetrahedral clusters in Nd4FeOS6: Crystal structure, electronic structure, and magnetic properties

    SciTech Connect (OSTI)

    Lin, Qisheng; Taufour, Valentin; Zhang, Yuemei; Wood, Max; Drtina, Thomas; Budko, Sergey L.; Canfield, Paul C.; Miller, Gordon J.

    2015-05-22

    Single crystals of Nd4FeOS6 were grown from an Fe-S eutectic solution. Single crystal X-ray diffraction analysis revealed a Nd4MnOSe6-type structure (P63mc, a = 9.2693(1) , c = 6.6650(1) , V = 495.94(1) 3, Z = 2), featuring parallel chains of face-sharing [FeS6x1/2]4- trigonal antiprisms and interlinked [Nd4OS3]4+ cubane-like clusters. Oxygen atoms were found to be trapped by Nd4 clusters in the [Nd4OS3]4+ chains. Structural differences among Nd4MnOSe6-type Nd4FeOS6 and the related La3CuSiS7- and Pr8CoGa3-type structures have been described. Magnetic susceptibility measurements on Nd4FeOS6 suggested the dominance of antiferromagnetic interactions at low temperature, but no magnetic ordering down to 2 K was observed. Spin-polarized electronic structure calculations revealed magnetic frustration with dominant antiferromagnetic interactions.

  6. Oxygen trapped by rare earth tetrahedral clusters in Nd4FeOS6: Crystal structure, electronic structure, and magnetic properties

    SciTech Connect (OSTI)

    Lin, Qisheng; Taufour, Valentin; Zhang, Yuemei; Wood, Max; Drtina, Thomas; Bud’ko, Sergey L.; Canfield, Paul C.; Miller, Gordon J.

    2015-05-22

    Single crystals of Nd4FeOS6 were grown from an Fe-S eutectic solution. Single crystal X-ray diffraction analysis revealed a Nd4MnOSe6-type structure (P63mc, a = 9.2693(1) Å, c = 6.6650(1) Å, V = 495.94(1) Å3, Z = 2), featuring parallel chains of face-sharing [FeS6x1/2]4- trigonal antiprisms and interlinked [Nd4OS3]4+ cubane-like clusters. Oxygen atoms were found to be trapped by Nd4 clusters in the [Nd4OS3]4+ chains. Structural differences among Nd4MnOSe6-type Nd4FeOS6 and the related La3CuSiS7- and Pr8CoGa3-type structures have been described. Magnetic susceptibility measurements on Nd4FeOS6 suggested the dominance of antiferromagnetic interactions at low temperature, but no magnetic ordering down to 2 K was observed. Spin-polarized electronic structure calculations revealed magnetic frustration with dominant antiferromagnetic interactions.

  7. Fragility of ferromagnetic double exchange interactions and pressure tuning of magnetism in 3d–5d double perovskite Sr₂FeOsO₆

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

    Veiga, L. S. I.; Fabbris, G.; van Veenendaal, M.; Souza-Neto, N. M.; Feng, H. L.; Yamaura, K.; Haskel, D.

    2015-06-19

    The ability to tune exchange (magnetic) interactions between 3d transition metals in perovskite structures has proven to be a powerful route to discovery of novel properties. Here we demonstrate that the introduction of 3d-5d exchange pathways in double perovskites enables additional tunability, a result of the large spatial extent of 5d wave functions. Using x-ray probes of magnetism and structure at high pressure, we show that compression of Sr₂FeOsO₆ drives an unexpected continuous change in the sign of Fe-Os exchange interactions and a transition from antiferromagnetic to ferrimagnetic order. We analyze the relevant electron-electron interactions, shedding light into fundamental differencesmore » with the more thoroughly studied 3d-3d systems.« less

  8. Fragility of ferromagnetic double exchange interactions and pressure tuning of magnetism in 3d–5d double perovskite Sr₂FeOsO₆

    SciTech Connect (OSTI)

    Veiga, L. S. I.; Fabbris, G.; van Veenendaal, M.; Souza-Neto, N. M.; Feng, H. L.; Yamaura, K.; Haskel, D.

    2015-06-19

    The ability to tune exchange (magnetic) interactions between 3d transition metals in perovskite structures has proven to be a powerful route to discovery of novel properties. Here we demonstrate that the introduction of 3d-5d exchange pathways in double perovskites enables additional tunability, a result of the large spatial extent of 5d wave functions. Using x-ray probes of magnetism and structure at high pressure, we show that compression of Sr₂FeOsO₆ drives an unexpected continuous change in the sign of Fe-Os exchange interactions and a transition from antiferromagnetic to ferrimagnetic order. We analyze the relevant electron-electron interactions, shedding light into fundamental differences with the more thoroughly studied 3d-3d systems.

  9. Synthesis of the Stereoisomeric Clusters 1,2-Os3(CO)10(trans-dpmn) and 1,2-Os3(CO)10(cis-dpmn) [where dpmn = 2,3-bis(diphenylphosphinomethyl)-5-norbornene]: DFT Evaluation of the Isomeric Clusters 1,2-Os3(CO)10(dpmn) and Isomer-Dependent Diphosphine Ligand Activation

    SciTech Connect (OSTI)

    Yang, Li; Nesterov, Vladimir N.; Wang, Xiaoping; Richmond, Michael G.

    2014-07-23

    The bicyclic diphosphines trans- and cis-2,3-bis(diphenylphosphinomethyl)-5-norbornene (dpmn) react with 1,2-Os3(CO)10(MeCN)2 (1) to furnish the corresponding ligand-bridged clusters Os3(CO)10(trans-dpmn) (2) and Os3(CO)10(cis-dpmn) (3). Both new products have been isolated and the molecular structures established by X-ray diffraction analyses. The dihydroxyl-bridged cluster 1,2-Os3(CO)8(μ-OH)2(cis-dpmn) (4), which accompanied the formation of 3 in one reaction, has been isolated and characterized by mass spectrometry and X-ray crystallography. Whereas cluster 2 is stable in toluene at 373 K, 3 is thermally sensitive under identical conditions and undergoes loss of CO (2 equiv), coupled with the activation of three norbornene C-H bonds and one P-C(phenyl) bond, to furnish the dihydride cluster H2Os3(CO)83-2-PhPC-3-endo-Ph2PCH2(C7H7)] (5). The solid-state structure of 5 confirms the multiple activation of the cis-dpmn ligand and accompanying formation of the face-capping 2-PhPC-3-endo-Ph2PCH2(C7H7) moiety in the product. DFT calculations on 2 and 3 indicate that the former cluster is the thermodynamically more stable isomer, and the conversion of 3→ 5 + 2CO + benzene is computed to be exergonic by 12.7 kcal/mol and is entropically favored due to the release of the CO and benzene by-products.

  10. Stellar (n,{gamma}) cross sections of p-process isotopes. II. {sup 168}Yb, {sup 180}W, {sup 184}Os, {sup 190}Pt, and {sup 196}Hg

    SciTech Connect (OSTI)

    Marganiec, J.; Dillmann, I.; Pardo, C. Domingo; Kaeppeler, F.; Walter, S.

    2010-09-15

    The neutron-capture cross sections of {sup 168}Yb, {sup 180}W, {sup 184}Os, {sup 190}Pt, and {sup 196}Hg have been measured by means of the activation technique. The samples were irradiated in a quasistellar neutron spectrum of kT=25 keV, which was produced at the Karlsruhe 3.7-MV Van de Graaff accelerator via the {sup 7}Li(p,n){sup 7}Be reaction. Systematic uncertainties were investigated in repeated activations with different samples and by variation of the experimental parameters, that is, irradiation times, neutron fluxes, and {gamma}-ray counting conditions. The measured data were converted into Maxwellian-averaged cross sections at kT=30 keV, yielding 1214{+-}61, 624{+-}54, 590{+-}43, 511{+-}46, and 201{+-}11 mb for {sup 168}Yb, {sup 180}W, {sup 184}Os, {sup 190}Pt, and {sup 196}Hg, respectively. The present results either represent first experimental data ({sup 168}Yb, {sup 184}Os, and {sup 196}Hg) or could be determined with significantly reduced uncertainties ({sup 180}W and {sup 190}Pt). These measurements are part of a systematic study of stellar (n,{gamma}) cross sections of the stable p isotopes.

  11. Comparison of the One-electron Oxidations of CO-Bridged vs Unbridged Bimetallic Complexes: Electron-transfer Chemistry of Os2Cp2(CO)4 and Os2Cp*2(μ-CO)2(CO)2 (Cp = η5-C5H5, Cp* = η5-C5Me5)

    SciTech Connect (OSTI)

    Laws, Derek R.; Bullock, R. Morris; Lee, Richmond; Huang, Kuo-Wei; Geiger, William J.

    2014-09-22

    The one-electron oxidations of two dimers of half-sandwich osmium carbonyl complexes have been examined by electrochemistry, spectro-electrochemistry, and computational methods. The all-terminal carbonyl complex Os2Cp2(CO)4 (1, Cp = η5-C5H5) undergoes a reversible one-electron anodic reaction at E1/2 = 0.41 V vs ferrocene in CH2Cl2/0.05 M [NBu4][B(C6F5)4], giving a rare example of a metal-metal bonded radical cation unsupported by bridging ligands. The IR spectrum of 1+ is consistent with an approximately 1:1 mixture of anti and gauche structures for the 33 e- radical cation in which it has retained all-terminal bonding of the CO ligands. DFT calculations, including orbital-occupancy-perturbed Mayer bond-order analyses, show that the HOMOs of anti-1 and gauche-1 are metal-ligand delocalized. Removal of an electron from 1 has very little effect on the Os-Os bond order, accounting for the resistance of 1+ to heterolytic cleavage. The Os-Os bond distance is calculated to decrease by 0.10 Å and 0.06 Å as a consequence of one-electron oxidation of anti-1 and gauche-1, respectively. The CO-bridged complex Os2Cp*2(μ-CO)2(CO)2 (Cp* = η5-C5Me5), trans-2, undergoes a more facile oxidation, E1/2 = - 0.11 V, giving a persistent radical cation shown by solution IR analysis to preserve its bridged-carbonyl structure. However, ESR analysis of frozen solutions of 2+ is interpreted in terms of the presence of two isomers, most likely anti-2+ and trans-2+, at low temperature. Calculations show that the HOMO of trans-2 is highly delocalized over the metal-ligand framework, with the bridging carbonyls accounting for about half of the orbital makeup. The Os-Os bond order again changes very little with removal of an electron, and the Os-Os bond length actually undergoes minor shortening. Calculations suggest that the second isomer of 2+ has both the trans CO-bridged and the anti all-terminal CO structures. DRL and WEG acknowledge the support of the National Science Foundation under

  12. Inhibition of fatty acid synthase suppresses U-2 OS cell invasion and migration via downregulating the activity of HER2/PI3K/AKT signaling pathway in vitro

    SciTech Connect (OSTI)

    Wang, Tao Fang; Wang, Heng; Peng, Ai Fen; Luo, Qing Feng; Liu, Zhi Li; Zhou, Rong Ping; Gao, Song; Zhou, Yang; Chen, Wen Zhao

    2013-10-18

    Highlights: •We investigate the relationship between FASN and HER2 or p-HER2 by IHC in OS tissues. •We construct FASN-specific RNAi plasmid. •Inhibiting FASN down-regulates HER2/PI3K/AKT cell signaling in U-2 OS. •Inhibiting FASN blocks U-2 OS cell invasion and migration. -- Abstract: FASN plays an important role in the malignant phenotype of various tumors. Our previous studies show that inhibition FASN could induce apoptosis and inhibit proliferation in human osteosarcoma (OS) cell in vivo and vitro. The aim in this study was to investigate the effect of inhibition FASN on the activity of HER2/PI3K/AKT axis and invasion and migration of OS cell. The expression of FASN, HER2 and p-HER2(Y1248) proteins was detected by immunohistochemistry in OS tissues from 24 patients with pulmonary metastatic disease, and the relationship between FASN and p-HER2 as well as HER2 was investigated. The results showed that there was a positive correlation between FASN and HER2 as well as p-HER2 protein expression. The U-2 OS cells were transfected with either the FASN specific RNAi plasmid or the negative control RNAi plasmid. FASN mRNA was measured by RT-PCR. Western blot assays was performed to examine the protein expression of FASN, HER2, p-HER2(Y1248), PI3K, Akt and p-Akt (Ser473). Migration and invasion of cells were investigated by wound healing and transwell invasion assays. The results showed that the activity of HER2/PI3K/AKT signaling pathway was suppressed by inhibiting FASN. Meanwhile, the U-2OS cells migration and invasion were also impaired by inhibiting the activity of FASN/HER2/PI3K/AKT. Our results indicated that inhibition of FASN suppresses OS cell invasion and migration via down-regulation of the “HER2/PI3K/AKT” axis in vitro. FASN blocker may be a new therapeutic strategy in OS management.

  13. File:Tip-top-tip-speed-teacher-HS.pdf | Open Energy Information

    Open Energy Info (EERE)

    this file. Metadata This file contains additional information, probably added from the digital camera or scanner used to create or digitize it. If the file has been modified from...

  14. File:Power-in-practice-and-theory-teacher-HS.pdf | Open Energy...

    Open Energy Info (EERE)

    this file. Metadata This file contains additional information, probably added from the digital camera or scanner used to create or digitize it. If the file has been modified from...

  15. File:Power-in-practice-and-theory-student-HS.pdf | Open Energy...

    Open Energy Info (EERE)

    this file. Metadata This file contains additional information, probably added from the digital camera or scanner used to create or digitize it. If the file has been modified from...

  16. File:Tip-top-tip-speed-student-HS.pdf | Open Energy Information

    Open Energy Info (EERE)

    this file. Metadata This file contains additional information, probably added from the digital camera or scanner used to create or digitize it. If the file has been modified from...

  17. File:Modeling-power-efficiency-and-tip-speed-ratio-student-HS...

    Open Energy Info (EERE)

    2014 1,650 1,275 (97 KB) Foteri (Talk | contribs) Category:Wind for Schools Portal CurriculaCategory:Wind for Schools High School Curricula You cannot overwrite this...

  18. File:Modeling-power-efficiency-and-tip-speed-ratios-teacher-HS...

    Open Energy Info (EERE)

    2014 1,650 1,275 (109 KB) Foteri (Talk | contribs) Category:Wind for Schools Portal CurriculaCategory:Wind for Schools High School Curricula You cannot overwrite this...

  19. File:What-speed-do-we-need-student-HS.pdf | Open Energy Information

    Open Energy Info (EERE)

    1,650 1,275, 3 pages (122 KB) Foteri (Talk | contribs) Category:Wind for Schools Portal CurriculaCategory:Wind for Schools High School Curricula You cannot overwrite this...

  20. File:What-speed-do-we-need-teacher-HS.pdf | Open Energy Information

    Open Energy Info (EERE)

    1,650 1,275, 3 pages (128 KB) Foteri (Talk | contribs) Category:Wind for Schools Portal CurriculaCategory:Wind for Schools High School Curricula You cannot overwrite this...

  1. NERSC Hosts HS Students on Job Shadow Day- NERSC Center News...

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

    to be able to get an up close look about things that we are seriously considering as professions. Everyone was so friendly and informative not only about what they do currently at...

  2. Materials Data on LiHS (SG:135) by Materials Project

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

    Kristin Persson

    2014-11-02

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

  3. Materials Data on NaHS (SG:160) 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

  4. Materials Data on LiHS (SG:54) by Materials Project

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

    Kristin Persson

    2014-11-02

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

  5. File:Tip-top-tip-speed-lp-HS.pdf | Open Energy Information

    Open Energy Info (EERE)

    metadata was last modified 08:54, 7 August 2013 Software used Acrobat PDFMaker 9.0 for Word Conversion program Adobe PDF Library 9.0 Encrypted no Page size 612 x 792 pts (letter)...

  6. File:Power-in-practice-and-theory-lp-HS.pdf | Open Energy Information

    Open Energy Info (EERE)

    metadata was last modified 08:54, 7 August 2013 Software used Acrobat PDFMaker 9.0 for Word Conversion program Adobe PDF Library 9.0 Encrypted no Page size 612 x 792 pts (letter)...

  7. File:What-speed-do-we-need-lp-HS.pdf | Open Energy Information

    Open Energy Info (EERE)

    metadata was last modified 08:56, 7 August 2013 Software used Acrobat PDFMaker 9.0 for Word Conversion program Adobe PDF Library 9.0 Encrypted no Page size 612 x 792 pts (letter)...

  8. File:Wind-for-schools entire curriculum-HS.pdf | Open Energy...

    Open Energy Info (EERE)

    metadata was last modified 08:58, 7 August 2013 Software used Acrobat PDFMaker 9.0 for Word Conversion program Adobe PDF Library 9.0 Encrypted no Page size 612 x 792 pts (letter)...

  9. File:Wind-farm-policy-simulation lp-HS.pdf | Open Energy Information

    Open Energy Info (EERE)

    metadata was last modified 08:57, 7 August 2013 Software used Acrobat PDFMaker 9.0 for Word Conversion program Adobe PDF Library 9.0 Encrypted no Page size 612 x 792 pts (letter)...

  10. File:When-the-wind-doesn't-blow-lp-HS.pdf | Open Energy Information

    Open Energy Info (EERE)

    metadata was last modified 08:57, 7 August 2013 Software used Acrobat PDFMaker 9.0 for Word Conversion program Adobe PDF Library 9.0 Encrypted no Page size 612 x 792 pts (letter)...

  11. File:Modeling-power-efficiency-and-tip-speed-ratio-lp-HS.pdf...

    Open Energy Info (EERE)

    metadata was last modified 08:55, 7 August 2013 Software used Acrobat PDFMaker 9.0 for Word Conversion program Adobe PDF Library 9.0 Encrypted no Page size 612 x 792 pts (letter)...

  12. 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).

  13. Bulk modulus and specific heat of B-site doped (La{sub 0.3}Pr{sub 0.7}){sub 0.65}Ca{sub 0.35}Mn{sub 1−x}B{sub x}O{sub 3} (B=Fe, Cr, Ru, Al, Ga)

    SciTech Connect (OSTI)

    Srivastava, Archana; Thakur, Rasna; Gaur, N. K.

    2014-04-24

    Specific heat (C{sub p}) thermal expansion (α) and Bulk modulus (B{sub T}) of lightly doped Rare Earth manganites (La{sub 0.3}Pr{sub 0.7}){sub 0.65}Ca{sub 0.35}Mn{sub 1−x}B{sub x}O{sub 3} (B{sup 3+} = Fe{sup 3+},Cr{sup 3+},Ga{sup 3+},Al{sup 3+},Ru4+); (0.3

  14. EERC MAC OS X Download

    Broader source: Energy.gov [DOE]

    EERC computes an average annual escalation rate for a specified time period, which can be used as an escalation rate for contract payments in energy savings performance contracts and utility energy services contracts.

  15. Microsoft Word - OS.doc

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

    obligations under the Net Billing Agreements are not general obligations of the United States of America and are not secured by the full faith and credit of the United States of...

  16. 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.

  17. 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

  18. 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 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, induces 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.

  19. Microsoft Word - FullRpt_HS0402808_SS_LL_Z_rev042008 finalApril2.doc

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

    SR/CNEAF/2008-01 Federal Financial Interventions and Subsidies in Energy Markets 2007 April 2008 Energy Information Administration Office of Coal, Nuclear, Electric, and Alternate Fuels U.S. Department of Energy Washington, DC 20585 This report was prepared by the Energy Information Administration, the independent statistical and analytical agency within the Department of Energy. The information contained herein should be attributed to the Energy Information Administration and should not be

  20. Lifshitz metal–insulator transition induced by the all-in/all-out magnetic order in the pyrochlore oxide Cd{sub 2}Os{sub 2}O{sub 7}

    SciTech Connect (OSTI)

    Hiroi, Z. Hirose, T.; Nagashima, I.; Okamoto, Y.; Yamaura, J.

    2015-04-01

    We investigate the metal–insulator transition (MIT) of the osmium pyrochlore oxide Cd{sub 2}Os{sub 2}O{sub 7} through transport and magnetization measurements. The MIT and a magnetic transition to the all-in/all-out (AIAO) order occur simultaneously at 227 K. We propose a mechanism based on a Lifshitz transition induced by the AIAO magnetic order probably via strong spin–orbit couplings in the specific semimetallic band structure. It is suggested, moreover, that two observed puzzles, a finite conductivity near T = 0 and an emergence of weak ferromagnetic moments, are not bulk properties but originate at magnetic domain walls between two kinds of AIAO domains.

  1. Information Technology Specialist (APPSW/OS)

    Broader source: Energy.gov [DOE]

    (See Frequently Asked Questions for more information). Where would I be working? Western Area Power Administration, Corporate Services Office, Office of the Chief Information Officer, SCADA Systems...

  2. Den Hartog OS2010 proceedings v3

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

    Pablant, 3 J. A. Reusch, 1 P. E. Robl, 1 H. D. Stephens, 1 H. P. Summers, 4 and Y. M. Yang 1 1 University of Wisconsin-Madison, Madison, WI 53706 USA 2 Center for Magnetic...

  3. Profiling users in the UNIX os environment

    SciTech Connect (OSTI)

    Dao, V N P; Vemuri, R; Templeton, S J

    2000-09-29

    This paper presents results obtained by using a method of profiling a user based on the login host, the login time, the command set, and the command set execution time of the profiled user. It is assumed that the user is logging onto a UNIX host on a computer network. The paper concentrates on two areas: short-term and long-term profiling. In short-term profiling the focus is on profiling the user at a given session where user characteristics do not change much. In long-term profiling, the duration of observation is over a much longer period of time. The latter is more challenging because of a phenomenon called concept or profile drift. Profile drift occurs when a user logs onto a host for an extended period of time (over several sessions).

  4. BPA's NAESB OS Preparatory Customer Workshop

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

    July 16, 2015 Time: 9:00 a.m. - 12:00 p.m. Conference Bridge: (877) 336-1828 Passcode: 2906902 Live Meeting: Join the Meeting Site for additional information: Redirects page Time...

  5. 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.

  6. Final-HRP-Memo-712-Clarifications-Under-the-Existing-Rule-Signed...

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

    ... Jim O'Brien, HS-30 John Boulden, HS-40 Larry D. Wilcher, HS-50 Regina Cano, HS-50 Mike Zimmerman, HS-90 David Bivans, EM-44 Gene Runkle, SC-3 Earl Hicks, SC-31.3 Michael Lempke, ...

  7. 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.

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

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

    ... Authors: Sam Limerick (1), Lucy Luo (1), Gary Long (2), David Morehouse (2), Jack Perrin (1), Steve Jackson (1) and Robert King (2) (1) Z, Inc., (2) Energy Information ...

  9. Project RU LlSON COPY ON-SITE RADIOLOGICAL PROGRAMS DURING REENTRY...

    Office of Legacy Management (LM)

    ... a joint experiment sponsored b y Austral Oil C o m - pany, Inc:, the U. S. A t o m i c ... The MSA Model 1-500 Combustible Gas Detection System was operated by EIC for Austral Oil. ...

  10. 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

  11. 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

  12. 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

  13. 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

  14. 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

  15. Materials Data on Gd(Sn3Ru2)2 (SG:121) by Materials Project

    SciTech Connect (OSTI)

    Kristin Persson

    2014-11-02

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

  16. Materials Data on Ba2LaRuO6 (SG:148) 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

  17. Materials Data on GdGeRu (SG:62) 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

  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 AsRu (SG:62) by Materials Project

    SciTech Connect (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

  20. 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...

  1. 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

  2. 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

  3. 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

  4. 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

  5. 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

  6. 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

  7. 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

  8. 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

  9. 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

  10. 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

  11. 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

  12. 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

  13. 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

  14. 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

  15. 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

  16. 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

  17. 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

  18. 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

  19. 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

  20. 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

  1. 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

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

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

    Gas Reserve Class No 2001 Gas Reserves 0.1 - 10 MMCF 10.1 - 100 MMCF 100.1 - 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

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

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

    Liquids Reserve Class 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 Fields By 2001 Liquids

  4. 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

  5. Materials Data on Sc2Al3Ru (SG:194) by Materials Project

    SciTech Connect (OSTI)

    Kristin Persson

    2015-02-09

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

  6. Materials Data on ZrRu3C (SG:221) by Materials Project

    SciTech Connect (OSTI)

    Kristin Persson

    2015-02-09

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

  7. 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

  8. 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

  9. 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

  10. 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

  11. 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 ...

  12. 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

  13. 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

  14. Barrier layer for a MCrAlY basecoat superalloy combination

    DOE Patents [OSTI]

    Sabol, Stephen M.; Goedjen, John G.; Vance, Steven J.

    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.

  15. (Electronic structure and reactivities of transition metal clusters)

    SciTech Connect (OSTI)

    Not Available

    1992-01-01

    The following are reported: theoretical calculations (configuration interaction, relativistic effective core potentials, polyatomics, CASSCF); proposed theoretical studies (clusters of Cu, Ag, Au, Ni, Pt, Pd, Rh, Ir, Os, Ru; transition metal cluster ions; transition metal carbide clusters; bimetallic mixed transition metal clusters); reactivity studies on transition metal clusters (reactivity with H{sub 2}, C{sub 2}H{sub 4}, hydrocarbons; NO and CO chemisorption on surfaces). Computer facilities and codes to be used, are described. 192 refs, 13 figs.

  16. Microsoft Word - 2003-A B OS_v3.DOC

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

    DOE that requires the DOE to accept title and dispose of spent nuclear fuel. For this future service, Energy Northwest pays a quarterly fee based on one mill per kilowatt-hour...

  17. Microsoft Word - CVRv11 - FINAL OS.doc

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

    of 1,300 kilowatts. An engineer-procure-construct contract has been executed with Renewable Energy Systems (USA) Inc., a Delaware corporation. The turbines will be...

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

    Office of Scientific and Technical Information (OSTI)

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

  19. Virginia Tech Operating System (OS) built on VOLTTRONTM for Energy...

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

    & data management layer User interface layer Demand response Behavior pattern analysis Price-based management Alarm notifications Planning and scheduling Load management ... ... ...

  20. BPAs NAESB OS Prepartory Customer Workshop

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

    Rebecca Berdahl 9:45-10:30 Transmission Reservation Merge Project Rebecca Berdahl Marie Pompel 10:30-10:45 NAESB Business Practice Standard Subcommittee Update Betty Fung...

  1. T-603: Mac OS X Includes Some Invalid Comodo Certificates

    Office of Energy Efficiency and Renewable Energy (EERE)

    The operating system includes some invalid certificates. The vulnerability is due to the invalid certificates and not the operating system itself. Other browsers, applications, and operating systems are affected.

  2. BuildingOS by Lucid | Open Energy Information

    Open Energy Info (EERE)

    Lucid Sector: Energy Focus Area: Renewable Energy, Non-renewable Energy, Buildings, - ENERGY STAR, - HVAC, - LEED, Buildings - Commercial, Energy Efficiency, - Central Plant,...

  3. Materials Data on Os (SG:194) by Materials Project

    SciTech Connect (OSTI)

    Kristin Persson

    2015-02-09

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

  4. U-232: Xen p2m_teardown() Bug Lets Local Guest OS Users Deny Service on the Host OS

    Broader source: Energy.gov [DOE]

    A vulnerability was reported in Xen. A local user on a guest operating system can cause denial of service conditions on the host.

  5. 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

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

    Office of Legacy Management (LM)

    Several colleges and universities, in of California, the University of Chicago, Iowa State ... by insertion of a copy of th M LOCATION California Inst. of Technology Pasadena, CA ...

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

    Office of Scientific and Technical Information (OSTI)

    Language: English Subject: 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; ANTIFERROMAGNETIC MATERIALS; ANTIFERROMAGNETISM; CALCIUM COMPOUNDS; CRYSTAL STRUCTURE; ...

  8. Inert anode containing base metal and noble metal useful for the electrolytic production of aluminum

    DOE Patents [OSTI]

    Ray, Siba P.; Liu, Xinghua

    2000-01-01

    An inert anode for production of metals such as aluminum is disclosed. The inert anode comprises a base metal selected from Cu and Ag, and at least one noble metal selected from Ag, Pd, Pt, Au, Rh, Ru, Ir and Os. The inert anode may optionally be formed of sintered particles having interior portions containing more base metal than noble metal and exterior portions containing more noble metal than base metal. In a preferred embodiment, the base metal comprises Cu, and the noble metal comprises Ag, Pd or a combination thereof.

  9. GRAIN BOUNDARY STRENGTHENING PROPERTIES OF TUNGSTEN ALLOYS

    SciTech Connect (OSTI)

    Setyawan, Wahyu; Kurtz, Richard J.

    2012-10-10

    Density functional theory was employed to investigate grain boundary (GB) properties of W alloys. A range of substitutional solutes across the Periodic Table was investigated to understand the behavior of different electronic orbitals in changing the GB cleavage energy in the Σ27a[110]{525} GB. A number of transition metals were predicted to enhance the GB cohesion. This includes Ru, Re, Os, Ir, V, Cr, Mn, Fe, Co, Ti, Hf, Ta and Nb. While lanthanides, s and p elements were tended to cause GB embrittlement.

  10. T-658: Java for Mac OS X 10.6 Update 5 & Java for Mac OS X 10.5 Update 10

    Broader source: Energy.gov [DOE]

    Multiple vulnerabilities exist in Java 1.6.0_24, the most serious of which may allow an untrusted Java applet to execute arbitrary code outside the Java sandbox. Visiting a web page containing a maliciously crafted untrusted Java applet may lead to arbitrary code execution with the privileges of the current user. These issues are addressed by updating to Java version 1.6.0_26.

  11. Self-assembly molecular squares with metal complexes as bridging ligands

    SciTech Connect (OSTI)

    Sun, S.S.; Silva, A.S.; Brinn, I.M.; Lees, A.J.

    2000-04-03

    Polynuclear transition metal complexes containing multichromophoric units, such as metal polypyridyl complexes, are of considerable current interest. Much attention has been paid to the synthesis of multicomponent systems that exhibit photoinduced intercomponent electron and/or energy-transfer processes and to their potential applications for photonic and electronic devices. Systems incorporating Re(I)- Ru(II)-, and Os(II)-based polypyridyl chromophores are the most commonly studied because of their favorable redox and spectroscopic characteristics. In this communication, the authors combine the concepts of self-assembly and complexes as ligands and report the preparation of a series of molecular squares with the general molecular formula [fac-Br(CO){sub 3}Re({mu}-(pyterpy){sub 2}M)]{sub 4}(PF{sub 6}){sub 8}, where pyterpy is 4{prime}-(4{prime}{double_prime}-pyridyl)-2,2{prime}:6{prime}2{double_prime}-terpyridine and M = Fe, Ru, or Os. The spectroscopic properties and a preliminary anion binding study of these novel octanuclear molecular squares are also presented.

  12. Search for: All records | DOE PAGES

    Office of Scientific and Technical Information (OSTI)

    April 2016 , American Physical Society Adsorption and diffusion of Ru adatoms on ... are performed to investigate the adsorption and diffusion of Ru adatoms on ...

  13. U-036: Apple iOS Bugs Let Remote Users Execute Arbitrary Code

    Broader source: Energy.gov [DOE]

    A remote user can create content that, when loaded by the target user, will execute arbitrary code on or obtain potentially sensitive information from the target user's system.

  14. HPC Colony II: FAST_OS II: Operating Systems and Runtime Systems...

    Office of Scientific and Technical Information (OSTI)

    on providing portable performance for leadership class machines-a task made difficult by ... concentrate on their field rather than the fine details of a new leadership class machine. ...

  15. U-232: Xen p2m_teardown() Bug Lets Local Guest OS Users Deny...

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

    unavailable and may cause the domain 0 kernel to panic. There is no requirement for memory sharing to be in use. Impact: A guest kernel can cause the host to become unresponsive...

  16. Materials Data on Gd(SiOs)2 (SG:139) by Materials Project

    SciTech Connect (OSTI)

    Kristin Persson

    2014-07-09

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

  17. T-621: Citrix XenServer Lets Local Administrative Users on the Guest OS Deny Service

    Broader source: Energy.gov [DOE]

    A local administrative user on a guest operating system can interrupt the normal operation of the target hypervisor.

  18. V-165: Cisco WebEx for iOS Certificate Validation Flaw Lets Remote...

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

    The security issue is caused due to the application not properly verifying the server SSL certificate. This can be exploited to e.g. spoof the server via a MitM (Man-in-the-Middle) ...

  19. Hopper OS upgrade and new SW set to default next Wed, Feb 27

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

    The availability of the above software versions were announced on Dec 19 and Jan 18. Notice Cray has changed some of the module names from "xt-xxx" to "cray-xxx", for example: ...

  20. HPC Colony II: FAST_OS II: Operating Systems and Runtime Systems...

    Office of Scientific and Technical Information (OSTI)

    Title: HPC Colony II: FASTOS II: Operating Systems and Runtime Systems at Extreme Scale ... task made difficult by the emerging variety of more complex computer architectures. ...

  1. Materials Data on Pr(Sb3Os)4 (SG:204) 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. T-676: Apple iOS Certificate Chain Validation Flaw Lets Certain...

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

    T-727:Microsoft Windows SSLTLS Protocol Flaw Lets Remote Users Decryption Sessions U-259: RSA BSAFE SSL-C Lets Remote Users Decrypt SSLTLS Traffic and SSL Buffer Overflow Lets ...

  3. 1 OS-ESD-16-003 Dear Citizen NEPA Planning Summary.pdf

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

  4. Electronic structure and magnetic properties of NaOsO3 (Journal...

    Office of Scientific and Technical Information (OSTI)

    OSTI Identifier: 1104066 Type: Publisher's Accepted Manuscript Journal Name: Physical Review. B. Condensed Matter and Materials Physics Additional Journal Information: Journal ...

  5. Materials Data on Ge2Os (SG:12) by Materials Project

    SciTech Connect (OSTI)

    Kristin Persson

    2015-02-09

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

  6. Materials Data on Sn15Os3O14 (SG:8) 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

  7. Materials Data on PuOs2 (SG:227) by Materials Project

    SciTech Connect (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

  8. Materials Data on Gd3OsO7 (SG:63) by Materials Project

    SciTech Connect (OSTI)

    Kristin Persson

    2015-02-09

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

  9. Materials Data on CeGa4Os (SG:51) by Materials Project

    SciTech Connect (OSTI)

    Kristin Persson

    2015-03-09

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

  10. Materials Data on NaPr2OsO6 (SG:14) by Materials Project

    SciTech Connect (OSTI)

    Kristin Persson

    2014-11-02

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

  11. Materials Data on LaOs2 (SG:227) by Materials Project

    SciTech Connect (OSTI)

    Kristin Persson

    2015-02-09

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

  12. Materials Data on Os(SCl6)2 (SG:166) 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

  13. Materials Data on K2Os(Cl2O)2 (SG:139) 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

  14. Materials Data on K(OsO3)2 (SG:227) 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

  15. Materials Data on SiOs (SG:221) by Materials Project

    SciTech Connect (OSTI)

    Kristin Persson

    2015-02-09

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

  16. Materials Data on Os2(CO)7 (SG:15) 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

  17. Materials Data on Si3Os2 (SG:60) 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

  18. Materials Data on OsF6 (SG:62) 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 ScB4Os3 (SG:63) by Materials Project

    SciTech Connect (OSTI)

    Kristin Persson

    2015-02-09

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

  20. Materials Data on LiNd2OsO6 (SG:14) 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 OsO3F2 (SG:14) 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 La3(OsO5)2 (SG:12) 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 LiLa2OsO6 (SG:14) by Materials Project

    SciTech Connect (OSTI)

    Kristin Persson

    2014-11-02

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

  4. Materials Data on Li7OsO6 (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

  5. Materials Data on LuB2Os3 (SG:191) 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. Materials Data on Y6OsI10 (SG:2) by Materials Project

    SciTech Connect (OSTI)

    Kristin Persson

    2015-02-09

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

  7. Materials Data on Y4OsBr4 (SG:15) 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

  8. Materials Data on Al3Os2 (SG:139) 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

  9. Materials Data on NpOs2 (SG:227) by Materials Project

    SciTech Connect (OSTI)

    Kristin Persson

    2015-02-09

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

  10. Materials Data on Si2Os (SG:64) by Materials Project

    SciTech Connect (OSTI)

    Kristin Persson

    2014-11-02

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

  11. Materials Data on LiSm2OsO6 (SG:14) 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

  12. Materials Data on Ge3Os2 (SG:60) 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

  13. Materials Data on Te2Os (SG:205) by Materials Project

    SciTech Connect (OSTI)

    Kristin Persson

    2015-02-09

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

  14. Materials Data on Rb3Os2Br9 (SG:194) by Materials Project

    SciTech Connect (OSTI)

    Kristin Persson

    2015-02-09

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

  15. Materials Data on Ca2Os2O7 (SG:74) by Materials Project

    SciTech Connect (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

  16. Materials Data on TbGa3Os (SG:221) 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 UB2Os3 (SG:191) by Materials Project

    SciTech Connect (OSTI)

    Kristin Persson

    2015-02-09

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

  18. Materials Data on Cr3Os (SG:223) by Materials Project

    SciTech Connect (OSTI)

    Kristin Persson

    2015-02-09

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

  19. Materials Data on NaLa2OsO6 (SG:14) 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

  20. Materials Data on Sb2Os (SG:58) 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 Te2OsCl12 (SG:2) by Materials Project

    SciTech Connect (OSTI)

    Kristin Persson

    2015-02-09

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

  2. Materials Data on MgB4Os3 (SG:63) by Materials Project

    SciTech Connect (OSTI)

    Kristin Persson

    2015-02-09

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

  3. Materials Data on La6OsI10 (SG:2) by Materials Project

    SciTech Connect (OSTI)

    Kristin Persson

    2015-02-09

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

  4. Materials Data on B2Os (SG:59) by Materials Project

    SciTech Connect (OSTI)

    Kristin Persson

    2015-02-09

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

  5. Materials Data on LiPr2OsO6 (SG:14) by Materials Project

    SciTech Connect (OSTI)

    Kristin Persson

    2015-03-25

    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 Sc6Te2Os (SG:189) by Materials Project

    SciTech Connect (OSTI)

    Kristin Persson

    2015-02-09

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

  7. Materials Data on Pu(SiOs)2 (SG:139) by Materials Project

    SciTech Connect (OSTI)

    Kristin Persson

    2015-02-09

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

  8. Materials Data on Ba2LiOsO6 (SG:225) by Materials Project

    SciTech Connect (OSTI)

    Kristin Persson

    2014-11-02

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

  9. Materials Data on Th(SiOs)2 (SG:139) by Materials Project

    SciTech Connect (OSTI)

    Kristin Persson

    2015-02-09

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

  10. Materials Data on Lu(SiOs)2 (SG:139) by Materials Project

    SciTech Connect (OSTI)

    Kristin Persson

    2014-11-02

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

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

    SciTech Connect (OSTI)

    Kristin Persson

    2015-02-09

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

  12. Materials Data on OsN2 (SG:58) 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

  13. Materials Data on P2Os (SG:58) 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

  14. Materials Data on PrOs2 (SG:227) by Materials Project

    SciTech Connect (OSTI)

    Kristin Persson

    2015-02-09

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

  15. Materials Data on OsS2 (SG:205) by Materials Project

    SciTech Connect (OSTI)

    Kristin Persson

    2015-02-09

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

  16. Materials Data on OsBr4 (SG:61) by Materials Project

    SciTech Connect (OSTI)

    Kristin Persson

    2015-02-09

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

  17. Materials Data on Er(SiOs)2 (SG:139) 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

  18. Materials Data on Na5OsO6 (SG:12) 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 Y5(Si7Os2)2 (SG:14) by Materials Project

    SciTech Connect (OSTI)

    Kristin Persson

    2015-02-18

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

  20. Materials Data on Sn7Os3 (SG:229) 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 Pr3OsO7 (SG:63) by Materials Project

    SciTech Connect (OSTI)

    Kristin Persson

    2015-02-09

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

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

    SciTech Connect (OSTI)

    Kristin Persson

    2014-11-02

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

  3. Materials Data on CeOs2 (SG:227) by Materials Project

    SciTech Connect (OSTI)

    Kristin Persson

    2015-02-09

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

  4. Materials Data on Ho2Ge2Os (SG:12) by Materials Project

    SciTech Connect (OSTI)

    Kristin Persson

    2015-02-09

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

  5. Materials Data on Nb3Os (SG:223) by Materials Project

    SciTech Connect (OSTI)

    Kristin Persson

    2015-02-09

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

  6. Materials Data on U2Al3Os (SG:194) by Materials Project

    SciTech Connect (OSTI)

    Kristin Persson

    2015-02-09

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

  7. Materials Data on Ba2NaOsO6 (SG:225) by Materials Project

    SciTech Connect (OSTI)

    Kristin Persson

    2014-11-02

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

  8. Materials Data on Ce(SiOs)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

  9. Materials Data on OsCl2O (SG:71) 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

  10. Materials Data on Dy(SiOs)2 (SG:139) by Materials Project

    SciTech Connect (OSTI)

    Kristin Persson

    2014-11-02

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

  11. Materials Data on NaNd2OsO6 (SG:14) 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

  12. Materials Data on TiOs (SG:221) by Materials Project

    SciTech Connect (OSTI)

    Kristin Persson

    2015-02-09

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

  13. Materials Data on As2Os (SG:58) 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

  14. Materials Data on OsSe2 (SG:205) by Materials Project

    SciTech Connect (OSTI)

    Kristin Persson

    2015-02-09

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

  15. Materials Data on K2OsCl6 (SG:225) by Materials Project

    SciTech Connect (OSTI)

    Kristin Persson

    2015-02-09

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

  16. Materials Data on Sc11Os4 (SG:225) by Materials Project

    SciTech Connect (OSTI)

    Kristin Persson

    2015-02-18

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

  17. Materials Data on Nd(Sb3Os)4 (SG:204) 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

  18. Materials Data on SiOs (SG:198) 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 ThOs2 (SG:227) by Materials Project

    SciTech Connect (OSTI)

    Kristin Persson

    2015-02-09

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

  20. Materials Data on Si3Os2 (SG:116) 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 La3OsO7 (SG:63) 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 Nd3OsO7 (SG:63) by Materials Project

    SciTech Connect (OSTI)

    Kristin Persson

    2015-02-09

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

  3. Materials Data on Pu5Os3 (SG:140) by Materials Project

    SciTech Connect (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

  4. Materials Data on Sr2NiOsO6 (SG:87) by Materials Project

    SciTech Connect (OSTI)

    Kristin Persson

    2015-01-27

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

  5. Materials Data on Y3(Si3Os)4 (SG:64) by Materials Project

    SciTech Connect (OSTI)

    Kristin Persson

    2015-02-18

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

  6. Materials Data on K2OsBr6 (SG:225) by Materials Project

    SciTech Connect (OSTI)

    Kristin Persson

    2015-02-09

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

  7. Safety

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

    safety Safety All JLF participants must comply fully with all LLNL safety regulations and procedures by becoming a Registered User of the facility. All JLF participants must complete available LLNL safety training: HS5200-W Laser Safety HS4258-W Beryllium Awareness HS4261-W Lead Awareness HS5220-W Electrical Safety Awareness HS6001-W General Employee Radiological HS4240-W Chemical Safety HS4680-W PPE To access these training modules link here [LTRAIN] from inside LLNL, or here from anywhere. All

  8. Rutile-structured TiO{sub 2} deposited by plasma enhanced atomic layer deposition using tetrakis(dimethylamino)titanium precursor on in-situ oxidized Ru electrode

    SciTech Connect (OSTI)

    Pointet, John; Gonon, Patrice; Latu-Romain, Lawrence; Bsiesy, Ahmad Vallée, Christophe

    2014-01-15

    In this work, tetrakis(dimethylamino)titanium precursor as well as in-situ oxidized ruthenium bottom electrode were used to grow rutile-structured titanium dioxide thin layers by plasma enhanced atomic layer deposition. Metal–insulator–metal capacitors have been elaborated in order to study the electrical properties of the device. It is shown that this process leads to devices exhibiting excellent results in terms of dielectric constant and leakage current.

  9. A Materials-Based Mitigation Strategy for SU/SD in PEM Fuel Cells: Properties and Performance-Specific Testing of IrRu OER Catalysts.

    SciTech Connect (OSTI)

    Atanasoski, Radoslav; Cullen, David A; Vernstrom, George; Haugen, Gregory; Atanasoska, Liliana

    2013-01-01

    Catalysts that enable proton exchange membrane fuel cells to weather the damaging conditions experienced during transient periods of fuel starvation have been developed. The addition of minute amounts of iridium and ruthenium to the cathode enhances the oxygen evolution reaction (OER) during start-up/shutdown events, thus lowering the peak cell voltage closer to the onset of water oxidation. The catalyst loadings ranged from 1 to 10 g/cm2, but showed surprisingly high activity and durability. At such low loadings, it is possible to fully integrate the OER catalysts with negligible interference on fuel cell performance and a marginal increase in catalyst cost.

  10. Participant Registration Procedure

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

    operations / participant registration procedure Participant Registration Procedure Under The "Safety" banner in the JLF Website "Policies and Procedures" Section: Complete Laser Eye Examination. Complete in LTRAIN HS5200-W Laser Safety. Complete in LTRAIN HS4258-W Beryllium (Be) Awareness. Complete in LTRAIN HS4261-W Lead (Pb) Awareness. Complete in LTRAIN HS5229-W Electrical Safety Awareness. Complete in LTRAIN HS-6001-W General Employee Radiological Training. Complete in

  11. Coordinating Tectons: Bipyridyl Terminated Allenylidene Complexes

    SciTech Connect (OSTI)

    Cifuentes, Marie P.; Humphrey, Mark G.; Koutsantonis, George A.; Lengkeek, Nigel A.; Petrie, Simon; Sanford, Vanessa; Schauer, Phil A.; Skelton, Brian W.; Stranger, Robert; White, Allan H.

    2009-01-15

    A series of complexes with {pi}-conjugated carbon chains terminated by bipyridyl moieties has been prepared. These allenylidene complexes were derived from 9-hydroxy-9-ethynyl-4,5-diazafluorene, the preparation of which is reported; the new allenylidene complexes are highly colored with the cumulated carbon chain terminating in a bipyridyl unit providing a site for further coordination. The synthesis, characterization, and X-ray structure determination of trans-[MCl(P{intersection}P){sub 2}{sub {double_bond}}C{sub {double_bond}}C{sub {double_bond}}(4,5-diazafluoren-9-yl)]PF{sub 6} (M = Ru, P{intersection}P = bis(diphenylphosphino)methane (dppm), 1,2-bis(diphenylphosphino)ethane (dppe), 1,2-bis(dimethylphosphino)ethane (dmpe); M = Os, P{intersection}P = dppm) are described. The effect of the variation in metal and ligand on electronic and electrochemical characteristics of these complexes has been investigated by using UV-vis, solution electrochemistry, and a combination of these techniques in spectroelectrochemical experiments. DFT calculations have been performed on trans-[RuCl(P{intersection}P){sub 2}{sub {double_bond}}C{sub {double_bond}}C{sub {double_bond}}(4,5-diazafluoren-9-yl)]{sup q} (P{intersection}P = dppm, bis(dimethylphosphino)methane (dmpm); q = -1, 0, +1, +2) and subsequently solvent-corrected calculations with use of COSMO were also undertaken to examine the nature of electronic transitions in various oxidation states.

  12. Methods of reforming hydrocarbon fuels using hexaaluminate catalysts

    DOE Patents [OSTI]

    Gardner, Todd H.; Berry, David A.; Shekhawat, Dushyant

    2012-03-27

    A metal substituted hexaaluminate catalyst for reforming hydrocarbon fuels to synthesis gas of the general formula AB.sub.yAl.sub.12-yO.sub.19-.delta., A being selected from alkali metals, alkaline earth metals and lanthanide metals or mixtures thereof. A dopant or surface modifier selected from a transitions metal, a spinel of an oxygen-ion conductor is incorporated. The dopant may be Ca, Cs, K, La, Sr, Ba, Li, Mg, Ce, Co, Fe, Ir, Rh, Ni, Ru, Cu, Pe, Os, Pd, Cr, Mn, W, Re, Sn, Gd, V, Ti, Ag, Au, and mixtures thereof. The oxygen-ion conductor may be a perovskite selected from M'RhO.sub.3, M'PtO.sub.3, M'PdO.sub.3, M'IrO.sub.3, M'RuO.sub.3 wherein M'=Mg, Sr, Ba, La, Ca; a spinel selected from MRh.sub.2O.sub.4, MPt.sub.2O.sub.4, MPd.sub.2O.sub.4, MIr.sub.2O.sub.4, MRu.sub.2O.sub.4 wherein M=Mg, Sr, Ba, La, Ca and mixtures thereof; a florite is selected from M''O.sub.2.

  13. Metal-isonitrile adducts for preparing radionuclide complexes for labelling and imaging agents

    DOE Patents [OSTI]

    Jones, Alun G.; Davison, Alan; Abrams, Michael J.

    1987-01-01

    A method for preparing 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 disclosed. The method comprises preparing a soluble metal adduct of said isonitrile ligand by admixing said ligand with a salt of a displaceable metal having a complete d-electron shell selected from the group consisting of Zn, Ga, Cd, In, Sn, Hg, Tl, Pb and Bi to form a soluble metal-isonitrile salt, and admixing said metal isonitrile salt with a salt comprising said radioactive metal in a suitable solvent to displace said displaceable metal with the radioactive metal thereby forming said coordination. The complex 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.

  14. Single-reactor process for producing liquid-phase organic compounds from biomass

    DOE Patents [OSTI]

    Dumesic, James A.; Simonetti, Dante A.; Kunkes, Edward L.

    2011-12-13

    Disclosed is a method for preparing liquid fuel and chemical intermediates from biomass-derived oxygenated hydrocarbons. The method includes the steps of reacting in a single reactor an aqueous solution of a biomass-derived, water-soluble oxygenated hydrocarbon reactant, in the presence of a catalyst comprising a metal selected from the group consisting of Cr, Mn, Fe, Co, Ni, Cu, Mo, Tc, Ru, Rh, Pd, Ag, W, Re, Os, Ir, Pt, and Au, at a temperature, and a pressure, and for a time sufficient to yield a self-separating, three-phase product stream comprising a vapor phase, an organic phase containing linear and/or cyclic mono-oxygenated hydrocarbons, and an aqueous phase.

  15. Ternary oxide nanostructures and methods of making same

    DOE Patents [OSTI]

    Wong, Stanislaus S.; Park, Tae-Jin

    2009-09-08

    A single crystalline ternary nanostructure having the formula A.sub.xB.sub.yO.sub.z, wherein x ranges from 0.25 to 24, and y ranges from 1.5 to 40, and wherein A and B are independently selected from the group consisting of Ag, Al, As, Au, B, Ba, Br, Ca, Cd, Ce, Cl, Cm, Co, Cr, Cs, Cu, Dy, Er, Eu, F, Fe, Ga, Gd, Ge, Hf, Ho, I, In, Ir, K, La, Li, Lu, Mg, Mn, Mo, Na, Nb, Nd, Ni, Os, P, Pb, Pd, Pr, Pt, Rb, Re, Rh, Ru, S, Sb, Sc, Se, Si, Sm, Sn, Sr, Ta, Tb, Tc, Te, Ti, Tl, Tm, U, V, W, Y, Yb, and Zn, wherein the nanostructure is at least 95% free of defects and/or dislocations.

  16. Inert anode containing oxides of nickel iron and cobalt useful for the electrolytic production of metals

    DOE Patents [OSTI]

    Ray, Siba P.; Liu, Xinghua; Weirauch, Jr., Douglas A.

    2002-01-01

    An inert anode for the electrolytic production of metals such as aluminum is disclosed. The inert anode includes a ceramic oxide material preferably made from NiO, Fe.sub.2 O.sub.3 and CoO. The inert anode composition may comprise the following mole fractions of NiO, Fe.sub.2 O.sub.3 and CoO: 0.15 to 0.99 NiO; 0.0001 to 0.85 Fe.sub.2 O.sub.3 ; and 0.0001 to 0.45 CoO. The inert anode may optionally include other oxides and/or at least one metal phase, such as Cu, Ag, Pd, Pt, Au, Rh, Ru, Ir and/or Os. The Ni--Fe--Co--O ceramic material exhibits very low solubility in Hall cell baths used to produce aluminum.

  17. Inert anode containing oxides of nickel, iron and zinc useful for the electrolytic production of metals

    DOE Patents [OSTI]

    Ray, Siba P.; Weirauch, Jr., Douglas A.; Liu, Xinghua

    2002-01-01

    An inert anode for the electrolytic production of metals such as aluminum is disclosed. The inert anode includes a ceramic oxide material preferably made from NiO, Fe.sub.2 O.sub.3 and ZnO. The inert anode composition may comprise the following mole fractions of NiO, Fe.sub.2 O.sub.3 and ZnO: 0.2 to 0.99 NiO; 0.0001 to 0.8 Fe.sub.2 O.sub.3 ; and 0.0001 to 0.3 ZnO. The inert anode may optionally include other oxides and/or at least one metal phase, such as Cu, Ag, Pd, Pt, Au, Rh, Ru, Ir and/or Os. The Ni--Fe--Co--O ceramic material exhibits very low solubility in Hall cell baths used to produce aluminum.

  18. For cermet inert anode containing oxide and metal phases useful for the electrolytic production of metals

    DOE Patents [OSTI]

    Ray, Siba P.; Liu, Xinghua; Weirauch, Douglas A.

    2002-01-01

    A cermet inert anode for the electrolytic production of metals such as aluminum is disclosed. The inert anode comprises a ceramic phase including an oxide of Ni, Fe and M, where M is at least one metal selected from Zn, Co, Al, Li, Cu, Ti, V, Cr, Zr, Nb, Ta, W, Mo, Hf and rare earths, preferably Zn and/or Co. Preferred ceramic compositions comprise Fe.sub.2 O.sub.3, NiO and ZnO or CoO. The cermet inert anode also comprises a metal phase such as Cu, Ag, Pd, Pt, Au, Rh, Ru, Ir and/or Os. A preferred metal phase comprises Cu and Ag. The cermet inert anodes may be used in electrolytic reduction cells for the production of commercial purity aluminum as well as other metals.

  19. Nanoamorphous carbon-based photonic crystal infrared emitters

    DOE Patents [OSTI]

    Norwood, Robert A.; Skotheim, Terje

    2011-12-13

    Provided is a tunable radiation emitting structure comprising: a nanoamorphous carbon structure having a plurality of relief features provided in a periodic spatial configuration, wherein the relief features are separated from each other by adjacent recessed features, and wherein the nanoamorphous carbon comprises a total of from 0 to 60 atomic percent of one or more dopants of the dopant group consisting of: transition metals, lanthanoids, electro-conductive carbides, silicides and nitrides. In one embodiment, a dopant is selected from the group consisting of: Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Zn, Y, Zr, Nb, Mo, Tc, Ru, Rh, Pd, Ag, Cd, La and other lanthanides, Hf, Ta, W, Rh, Os, Ir, Pt, Au, and Hg. In one embodiment, a dopant is selected from the group consisting of: electro-conductive carbides (like Mo.sub.2C), silicides (like MoSi.sub.2) and nitrides (like TiN).

  20. Single-reactor process for producing liquid-phase organic compounds from biomass

    SciTech Connect (OSTI)

    Dumesic, James A.; Simonetti, Dante A.; Kunkes, Edward L.

    2015-12-08

    Disclosed is a method for preparing liquid fuel and chemical intermediates from biomass-derived oxygenated hydrocarbons. The method includes the steps of reacting in a single reactor an aqueous solution of a biomass-derived, water-soluble oxygenated hydrocarbon reactant, in the presence of a catalyst comprising a metal selected from the group consisting of Cr, Mn, Fe, Co, Ni, Cu, Mo, Tc, Ru, Rh, Pd, Ag, W, Re, Os, Ir, Pt, and Au, at a temperature, and a pressure, and for a time sufficient to yield a self-separating, three-phase product stream comprising a vapor phase, an organic phase containing linear and/or cyclic mono-oxygenated hydrocarbons, and an aqueous phase.

  1. AB INITIO STUDY OF GRAIN BOUNDARY PROPERTIES OF TUNGSTEN ALLOYS

    SciTech Connect (OSTI)

    Setyawan, Wahyu; Kurtz, Richard J.

    2012-04-17

    Density functional theory was employed to investigate the grain boundary (GB) property of W-TM alloys (TM: fifth and sixth row transition metals). GB strengthening was found for Hf, Ta, Nb, Ru, Re, Os and Ir for 27{l_brace}525{r_brace} and to a lesser degree for 11{l_brace}323{r_brace}. Lower valence solutes strengthen the GB at certain substitutional sites, while higher valence elements enforce it at other positions. For 3{l_brace}112{r_brace}, the alloys exhibit reduced cleavage energies. Hence, allowing with TMs increases the GB cohesion more effectively for large-angle GBs whose cleavage energy is, in general, inherently lower than the low-angle ones. Electron density analysis elucidates the mechanism of charge addition or depletion of the GB bonding region upon TM substitution at various positions leading to stronger or weaker intergranular cohesion, respectively.

  2. Band gap tuning in transition metal oxides by site-specific substitution

    DOE Patents [OSTI]

    Lee, Ho Nyung; Chisholm, Jr., Matthew F; Jellison, Jr., Gerald Earle; Singh, David J; Choi, Woo Seok

    2013-12-24

    A transition metal oxide insulator composition having a tuned band gap includes a transition metal oxide having a perovskite or a perovskite-like crystalline structure. The transition metal oxide includes at least one first element selected form the group of Bi, Ca, Ba, Sr, Li, Na, Mg, K, Pb, and Pr; and at least one second element selected from the group of Ti, Al, V, Cr, Mn, Fe, Co, Ni, Cu, Zr, Nb, Mo, Ru, Rh, Hf, Ta, W, Re, Os, Ir, and Pt. At least one correlated insulator is integrated into the crystalline structure, including REMO.sub.3, wherein RE is at least one Rare Earth element, and wherein M is at least one element selected from the group of Co, V, Cr, Ni, Mn, and Fe. The composition is characterized by a band gap of less of 4.5 eV.

  3. Stabilization of Pt monolayer catalysts under harsh conditions of fuel cells

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

    Zhang, Xiaoming; Liu, Ping; Yu, Shansheng; Qiao, Liang; Zheng, Weitao

    2015-05-21

    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 intermediates involved in the oxygen reduction reaction (ORR) in fuel cells. A pseudomorphic surface alloy (PSA) with a Pt monolayer (Pt1ML) supported on an M surface, Pt1ML/M(111) or (001), was considered as a model system. Different sets of candidate M cores were identified to achieve a stable Pt1ML shell depending on the conditions. In vacuum conditions, the Pt1ML shell can be stabilized on the most of M cores exceptmore » Cu, Ag, and Au. The situation varies under various electrochemical conditions. Depending on the solutions and the operating reaction pathways of the ORR, different M should be considered. Pd and Ir are the only core metals studied, being able to keep the PtML shell intact in perchloric acid, sulfuric acid, phosphoric acid, and alkaline solutions as well as under the ORR conditions via different pathways. Ru and Os cores should also be paid attention, which only fall during the ORR via the *OOH intermediate. Rh core works well as long as the ORR does not undergo the pathway via *O intermediate. Our results show that PSAs can behave differently from the near surface alloy, Pt1ML/M1ML/Pt(111), highlighting the importance of considering both chemical environments and the atomic structures in rational design of highly stable core-shell nanocatalysts. Finally, the roles that d-band center of a core M played in determining the stability of supported Pt1ML shell were also discussed.« less

  4. Stabilization of Pt monolayer catalysts under harsh conditions of fuel cells

    SciTech Connect (OSTI)

    Zhang, Xiaoming; Liu, Ping; Yu, Shansheng; Qiao, Liang; Zheng, Weitao

    2015-05-21

    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 intermediates involved in the oxygen reduction reaction (ORR) in fuel cells. A pseudomorphic surface alloy (PSA) with a Pt monolayer (Pt1ML) supported on an M surface, Pt1ML/M(111) or (001), was considered as a model system. Different sets of candidate M cores were identified to achieve a stable Pt1ML shell depending on the conditions. In vacuum conditions, the Pt1ML shell can be stabilized on the most of M cores except Cu, Ag, and Au. The situation varies under various electrochemical conditions. Depending on the solutions and the operating reaction pathways of the ORR, different M should be considered. Pd and Ir are the only core metals studied, being able to keep the PtML shell intact in perchloric acid, sulfuric acid, phosphoric acid, and alkaline solutions as well as under the ORR conditions via different pathways. Ru and Os cores should also be paid attention, which only fall during the ORR via the *OOH intermediate. Rh core works well as long as the ORR does not undergo the pathway via *O intermediate. Our results show that PSAs can behave differently from the near surface alloy, Pt1ML/M1ML/Pt(111), highlighting the importance of considering both chemical environments and the atomic structures in rational design of highly stable core-shell nanocatalysts. Finally, the roles that d-band center of a core M played in determining the stability of supported Pt1ML shell were also discussed.

  5. Stabilization of Pt monolayer catalysts under harsh conditions of fuel cells

    SciTech Connect (OSTI)

    Zhang, Xiaoming; Yu, Shansheng; Zheng, Weitao E-mail: pingliu3@bnl.gov; Qiao, Liang; Liu, Ping E-mail: pingliu3@bnl.gov

    2015-05-21

    We employed density functional theory 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 intermediates involved in the oxygen reduction reaction (ORR) in fuel cells. A pseudomorphic surface alloy (PSA) with a Pt monolayer (Pt{sub 1ML}) supported on an M surface, Pt{sub 1ML}/M(111) or (001), was considered as a model system. Different sets of candidate M cores were identified to achieve a stable Pt{sub 1ML} shell depending on the conditions. In vacuum conditions, the Pt{sub 1ML} shell can be stabilized on the most of M cores except Cu, Ag, and Au. The situation varies under various electrochemical conditions. Depending on the solutions and the operating reaction pathways of the ORR, different M should be considered. Pd and Ir are the only core metals studied, being able to keep the Pt{sub ML} shell intact in perchloric acid, sulfuric acid, phosphoric acid, and alkaline solutions as well as under the ORR conditions via different pathways. Ru and Os cores should also be paid attention, which only fall during the ORR via the *OOH intermediate. Rh core works well as long as the ORR does not undergo the pathway via *O intermediate. Our results show that PSAs can behave differently from the near surface alloy, Pt{sub 1ML}/M{sub 1ML}/Pt(111), highlighting the importance of considering both chemical environments and the atomic structures in rational design of highly stable core-shell nanocatalysts. Finally, the roles that d-band center of a core M played in determining the stability of supported Pt{sub 1ML} shell were also discussed.

  6. In crystallo optical spectroscopy (icOS) as a complementary tool on the macromolecular crystallography beamlines of the ESRF

    SciTech Connect (OSTI)

    Stetten, David von; Giraud, Thierry; Carpentier, Philippe; Sever, Franc; Terrien, Maxime; Dobias, Fabien; Juers, Douglas H.; Flot, David; Mueller-Dieckmann, Christoph; Leonard, Gordon A.; Sanctis, Daniele de; Royant, Antoine

    2015-01-01

    The current version of the Cryobench in crystallo optical spectroscopy facility of the ESRF is presented. The diverse experiments that can be performed at the Cryobench are also reviewed. The analysis of structural data obtained by X-ray crystallography benefits from information obtained from complementary techniques, especially as applied to the crystals themselves. As a consequence, optical spectroscopies in structural biology have become instrumental in assessing the relevance and context of many crystallographic results. Since the year 2000, it has been possible to record such data adjacent to, or directly on, the Structural Biology Group beamlines of the ESRF. A core laboratory featuring various spectrometers, named the Cryobench, is now in its third version and houses portable devices that can be directly mounted on beamlines. This paper reports the current status of the Cryobench, which is now located on the MAD beamline ID29 and is thus called the ID29S-Cryobench (where S stands for spectroscopy). It also reviews the diverse experiments that can be performed at the Cryobench, highlighting the various scientific questions that can be addressed.

  7. Materials Data on H12OsN5Cl3O (SG:107) by Materials Project

    SciTech Connect (OSTI)

    Kristin Persson

    2014-11-02

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

  8. Undergraduate Program Salary Structure

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

    26,520 12.75 HS +2 Completion of second year and minimum of 48 semester hours (salary cap for students pursuing an Associate's Degree) 29,120 14.00 HS +3 Completion of third...

  9. Contractor Past Performance Information

    Energy Savers [EERE]

    ... HS0000018 PARAGON TECHNICAL SERVICES, INC. R499 8,563,358.25 HS0000088 GET-NSA R699 8,484,899.09 DT0002641 HIGHLAND TECHNOLOGY SERVICES INC. R499 7,435,000.19 ...

  10. Homeland Security Science, Technology, Engineering, Mathematics Career Development Program Report

    SciTech Connect (OSTI)

    Bryson, Kathleen H.

    2009-11-06

    Report including the background, reserach and recommendations to expand the current DHS HS-STEM Career Development Program.

  11. Platinum-ruthenium nanotubes and platinum-ruthenium coated copper nanowires as efficient catalysts for electro-oxidation of methanol

    SciTech Connect (OSTI)

    Zheng, Jie; Cullen, David A.; Forest, Robert V.; Wittkopf, Jarrid A.; Zhuang, Zhongbin; Zheng, Whenchao; Chen, Jingguang G.; Yan, Yushan

    2015-01-15

    The sluggish kinetics of methanol oxidation reaction (MOR) is a major barrier to the commercialization of direct methanol fuel cells (DMFCs). In this study, we report a facile synthesis of platinum–ruthenium nanotubes (PtRuNTs) and platinum–ruthenium-coated copper nanowires (PtRu/CuNWs) by galvanic displacement reaction using copper nanowires as a template. The PtRu compositional effect on MOR is investigated; the optimum Pt/Ru bulk atomic ratio is about 4 and surface atomic ratio about 1 for both PtRuNTs and PtRu/CuNWs. Enhanced specific MOR activities are observed on both PtRuNTs and PtRu/CuNWs compared with the benchmark commercial carbon-supported PtRu catalyst (PtRu/C, Hispec 12100). Finally, x-ray photoelectron spectroscopy (XPS) reveals a larger extent of electron transfer from Ru to Pt on PtRu/CuNWs, which may lead to a modification of the d-band center of Pt and consequently a weaker bonding of CO (the poisoning intermediate) on Pt and a higher MOR activity on PtRu/CuNWs.

  12. Platinum-ruthenium nanotubes and platinum-ruthenium coated copper nanowires as efficient catalysts for electro-oxidation of methanol

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

    Zheng, Jie; Cullen, David A.; Forest, Robert V.; Wittkopf, Jarrid A.; Zhuang, Zhongbin; Zheng, Whenchao; Chen, Jingguang G.; Yan, Yushan

    2015-01-15

    The sluggish kinetics of methanol oxidation reaction (MOR) is a major barrier to the commercialization of direct methanol fuel cells (DMFCs). In this study, we report a facile synthesis of platinum–ruthenium nanotubes (PtRuNTs) and platinum–ruthenium-coated copper nanowires (PtRu/CuNWs) by galvanic displacement reaction using copper nanowires as a template. The PtRu compositional effect on MOR is investigated; the optimum Pt/Ru bulk atomic ratio is about 4 and surface atomic ratio about 1 for both PtRuNTs and PtRu/CuNWs. Enhanced specific MOR activities are observed on both PtRuNTs and PtRu/CuNWs compared with the benchmark commercial carbon-supported PtRu catalyst (PtRu/C, Hispec 12100). Finally, x-raymore » photoelectron spectroscopy (XPS) reveals a larger extent of electron transfer from Ru to Pt on PtRu/CuNWs, which may lead to a modification of the d-band center of Pt and consequently a weaker bonding of CO (the poisoning intermediate) on Pt and a higher MOR activity on PtRu/CuNWs.« less

  13. Oxygen Control of Atomic Structure and Physical Properties of...

    Office of Scientific and Technical Information (OSTI)

    Properties of SrRuO3 Surfaces Citation Details In-Document Search Title: Oxygen Control of Atomic Structure and Physical Properties of SrRuO3 Surfaces Authors: Tselev, ...

  14. Microsoft Word - WIPP9000.docx

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

    88221 Fo WIPP r October 7 (WIPP) rec arking an cold war. nt mileston RU waste PP team ha ctive of the pment, wh PP at abou aste Treatm half of the IPP has re RU waste s Environm...

  15. Electron transfer reactivity of the aqueous iron(IV)–oxo complex. Outer-sphere vs proton-coupled electron transfer

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

    Bataineh, Hajem; Pestovsky, Oleg; Bakac, Andreja

    2016-06-18

    Here, the kinetics of oxidation of organic and inorganic reductants by aqueous iron(IV) ions, FeIV(H2O)5O2+ (hereafter FeIVaqO2+), are reported. The substrates examined include several water-soluble ferrocenes, hexachloroiridate(III), polypyridyl complexes M(NN)32+ (M = Os, Fe and Ru; NN = phenanthroline, bipyridine and derivatives), HABTS–/ABTS2–, phenothiazines, CoII(dmgBF2)2, macrocyclic nickel(II) complexes, and aqueous cerium(III). Most of the reductants were oxidized cleanly to the corresponding one-electron oxidation products, with the exception of phenothiazines which produced the corresponding oxides in a single-step reaction, and polypyridyl complexes of Fe(II) and Ru(II) that generated ligand-modified products. FeIVaqO2+ oxidizes even Ce(III) (E0 in 1 M HClO4 = 1.7more » V) with a rate constant greater than 104 M–1 s–1. In 0.10 M aqueous HClO4 at 25 °C, the reactions of Os(phen)32+ (k = 2.5 × 105 M–1 s–1), IrCl63– (1.6 × 106), ABTS2– (4.7 × 107), and Fe(cp)(C5H4CH2OH) (6.4 × 107) appear to take place by outer sphere electron transfer (OSET). The rate constants for the oxidation of Os(phen)32+ and of ferrocenes remained unchanged in the acidity range 0.05 < [H+] < 0.10 M, ruling out prior protonation of FeIVaqO2+ and further supporting the OSET assignment. A fit to Marcus cross-relation yielded a composite parameter (log k22 + E0Fe/0.059) = 17.2 ± 0.8, where k22 and E0Fe are the self-exchange rate constant and reduction potential, respectively, for the FeIVaqO2+/FeIIIaqO+ couple. Comparison with literature work suggests k22 < 10–5 M–1 s–1 and thus E0(FeIVaqO2+/FeIIIaqO+) > 1.3 V. For proton-coupled electron transfer, the reduction potential is estimated at E0 (FeIVaqO2+, H+/FeIIIaqOH2+) ≥ 1.95 V.« less

  16. Size Effect of Ruthenium Nanoparticles in Catalytic Carbon Monoxide Oxidation

    SciTech Connect (OSTI)

    Joo, Sang Hoon; Park, Jeong Y.; Renzas, J. Russell; Butcher, Derek R.; Huang, Wenyu; Somorjai, Gabor A.

    2010-04-04

    Carbon monoxide oxidation over ruthenium catalysts has shown an unusual catalytic behavior. Here we report a particle size effect on CO oxidation over Ru nanoparticle (NP) catalysts. Uniform Ru NPs with a tunable particle size from 2 to 6 nm were synthesized by a polyol reduction of Ru(acac){sub 3} precursor in the presence of poly(vinylpyrrolidone) stabilizer. The measurement of catalytic activity of CO oxidation over two-dimensional Ru NPs arrays under oxidizing reaction conditions (40 Torr CO and 100 Torr O{sub 2}) showed an activity dependence on the Ru NP size. The CO oxidation activity increases with NP size, and the 6 nm Ru NP catalyst shows 8-fold higher activity than the 2 nm catalysts. The results gained from this study will provide the scientific basis for future design of Ru-based oxidation catalysts.

  17. 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.

  18. Sistemas Eólicos Pequeños para Generación de Electricidad: Una guia para consumidores en Nuevo México

    SciTech Connect (OSTI)

    Not Available

    2005-10-01

    This Spanish version of the popular Small Wind Electric Systems: A New Mexico Consumer's Guide provides consumers with information to help them determine whether a small wind electric system can provide all or a portion of the energy they need for their home or business based on their wind resource, energy needs, and economics. Topics include how to make a home more energy efficient, how to choose the correct turbine size, the parts of a wind electric system, how to determine whether enough wind resource exists, how to choose the best site for a turbine, how to connect a system to the utility grid, and whether it's possible to become independent of the utility grid using wind energy. In addition, the cover of the guide contains a list of contacts for more information.

  19. Fabrication and test of short helical solenoid model based on YBCO tape

    SciTech Connect (OSTI)

    Yu, M.; Lombardo, V.; Lopes, M.L.; Turrioni, D.; Zlobin, A.V.; Flanagan, G.; Johnson, R.P.; /MUONS Inc., Batavia

    2011-03-01

    A helical cooling channel (HCC) is a new technique proposed for six-dimensional (6D) cooling of muon beams. To achieve the optimal cooling rate, the high field section of HCC need to be developed, which suggests using High Temperature Superconductors (HTS). This paper updates the parameters of a YBCO based helical solenoid (HS) model, describes the fabrication of HS segments (double-pancake units) and the assembly of six-coil short HS model with two dummy cavity insertions. Three HS segments and the six-coil short model were tested. The results are presented and discussed.

  20. March 7, 2012, USW Health Safety and Environment Conference Presentati...

    Office of Environmental Management (EM)

    DOE Worker Safety and Health Regulatory Enforcement Kevin Dressman Director, Office of Worker Safety and Health Enforcement (HS-41) Office of Health, Safety and Security U.S....