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Sample records for ir mt ni

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

    SciTech Connect (OSTI)

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

    2011-12-31

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

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

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

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

    2016-03-01

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

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

    SciTech Connect (OSTI)

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

    2015-05-07

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

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

    SciTech Connect (OSTI)

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

    2013-05-28

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

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

    SciTech Connect (OSTI)

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

    2015-09-15

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

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

    SciTech Connect (OSTI)

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

    2014-05-07

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

  7. Mt. Baker Geothermal Project | Open Energy Information

    Open Energy Info (EERE)

    Mt. Baker Geothermal Project Jump to: navigation, search GEOTHERMAL ENERGYGeothermal Home Development Project: Mt. Baker Geothermal Project Project Location Information Coordinates...

  8. Mt Poso Cogeneration | Open Energy Information

    Open Energy Info (EERE)

    Poso Cogeneration Jump to: navigation, search Name: Mt Poso Cogeneration Place: Bakersfield, California Zip: 93308 Product: California-based project developer for the Mt Poso...

  9. Category:Billings, MT | Open Energy Information

    Open Energy Info (EERE)

    Billings, MT Jump to: navigation, search Go Back to PV Economics By Location Media in category "Billings, MT" The following 16 files are in this category, out of 16 total....

  10. Ni Ni: University of California - Los Angeles

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

    Ni Ni: University of California - Los Angeles Alumni Link: Opportunities, News and Resources for Former Employees Latest Issue:September 2015 all issues All Issues » submit Ni Ni: University of California - Los Angeles Condensed matter January 1, 2015 Ni Ni Ni Ni Contact Linda Anderman Email Ni Ni Ni Ni now at the University of California-Los Angeles After finishing her work at Princeton, Ni Ni began at the Lab as a postdoc in 2012 with the Condensed Matter and Magnetic Science Group. Ni was

  11. Controlled Source Audio MT At Roosevelt Hot Springs Area (Combs...

    Open Energy Info (EERE)

    Audio MT At Roosevelt Hot Springs Area (Combs 2006) Jump to: navigation, search GEOTHERMAL ENERGYGeothermal Home Exploration Activity: Controlled Source Audio MT At Roosevelt Hot...

  12. Water Sampling At Mt Ranier Area (Frank, 1995) | Open Energy...

    Open Energy Info (EERE)

    Jump to: navigation, search GEOTHERMAL ENERGYGeothermal Home Exploration Activity: Water Sampling At Mt Ranier Area (Frank, 1995) Exploration Activity Details Location Mt...

  13. Geothermal Literature Review At Mt Ranier Area (Frank, 1995)...

    Open Energy Info (EERE)

    navigation, search GEOTHERMAL ENERGYGeothermal Home Exploration Activity: Geothermal Literature Review At Mt Ranier Area (Frank, 1995) Exploration Activity Details Location Mt...

  14. Isotopic Analysis At Mt St Helens Area (Shevenell & Goff, 2000...

    Open Energy Info (EERE)

    Home Exploration Activity: Isotopic Analysis At Mt St Helens Area (Shevenell & Goff, 2000) Exploration Activity Details Location Mt St Helens Area Exploration Technique...

  15. Compound and Elemental Analysis At Mt St Helens Area (Shevenell...

    Open Energy Info (EERE)

    Exploration Activity: Compound and Elemental Analysis At Mt St Helens Area (Shevenell & Goff, 2000) Exploration Activity Details Location Mt St Helens Area Exploration Technique...

  16. Isotopic Analysis At Mt St Helens Area (Shevenell & Goff, 1995...

    Open Energy Info (EERE)

    Home Exploration Activity: Isotopic Analysis At Mt St Helens Area (Shevenell & Goff, 1995) Exploration Activity Details Location Mt St Helens Area Exploration Technique...

  17. Compound and Elemental Analysis At Mt St Helens Area (Shevenell...

    Open Energy Info (EERE)

    Exploration Activity: Compound and Elemental Analysis At Mt St Helens Area (Shevenell & Goff, 1995) Exploration Activity Details Location Mt St Helens Area Exploration Technique...

  18. Mt Wheeler Power, Inc | Open Energy Information

    Open Energy Info (EERE)

    Power, Inc Jump to: navigation, search Name: Mt Wheeler Power, Inc Place: Nevada Phone Number: 1-775-289-8981 Website: mwpower.net Facebook: https:www.facebook.com...

  19. Hf-irJ

    Office of Legacy Management (LM)

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

  20. Photosensitivity of the Ni-A state of [NiFe] hydrogenase from Desulfovibrio vulgaris Miyazaki F with visible light

    SciTech Connect (OSTI)

    Osuka, Hisao; Graduate School of Materials Science, Nara Institute of Science and Technology, 8916-5, Takayama-cho, Ikoma-shi, Nara 630-0192 ; Shomura, Yasuhito; Komori, Hirofumi; Shibata, Naoki; Nagao, Satoshi; Higuchi, Yoshiki; CREST, JST, Gobancho, Chiyoda-ku, Tokyo 102-0076 ; Hirota, Shun; CREST, JST, Gobancho, Chiyoda-ku, Tokyo 102-0076

    2013-01-04

    Highlights: Black-Right-Pointing-Pointer Ni-A state of [NiFe] hydrogenase showed light sensitivity. Black-Right-Pointing-Pointer New FT-IR bands were observed with light irradiation of the Ni-A state. Black-Right-Pointing-Pointer EPR g-values of the Ni-A state shifted upon light irradiation. Black-Right-Pointing-Pointer The light-induced state converted back to the Ni-A state under the dark condition. -- Abstract: [NiFe] hydrogenase catalyzes reversible oxidation of molecular hydrogen. Its active site is constructed of a hetero dinuclear Ni-Fe complex, and the oxidation state of the Ni ion changes according to the redox state of the enzyme. We found that the Ni-A state (an inactive unready, oxidized state) of [NiFe] hydrogenase from Desulfovibrio vulgaris Miyazaki F (DvMF) is light sensitive and forms a new state (Ni-AL) with irradiation of visible light. The Fourier transform infrared (FT-IR) bands at 1956, 2084 and 2094 cm{sup -1} of the Ni-A state shifted to 1971, 2086 and 2098 cm{sup -1} in the Ni-AL state. The g-values of g{sub x} = 2.30, g{sub y} = 2.23 and g{sub z} = 2.01 for the signals in the electron paramagnetic resonance (EPR) spectrum of the Ni-A state at room temperature varied for -0.009, +0.012 and +0.010, respectively, upon light irradiation. The light-induced Ni-AL state converted back immediately to the Ni-A state under dark condition at room temperature. These results show that the coordination structure of the Fe site of the Ni-A state of [NiFe] hydrogenase is perturbed significantly by light irradiation with relatively small coordination change at the Ni site.

  1. IY:ILrnr IR-rl?l'

    Office of Legacy Management (LM)

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

  2. I\r'

    Office of Legacy Management (LM)

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

  3. Mt Wheeler Power, Inc (Utah) | Open Energy Information

    Open Energy Info (EERE)

    Mt Wheeler Power, Inc (Utah) Jump to: navigation, search Name: Mt Wheeler Power, Inc Place: Utah Phone Number: 1 775-289-8981 Website: mwpower.net Facebook: https:...

  4. IR Spot Weld Inspect

    Energy Science and Technology Software Center (OSTI)

    2014-01-01

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

  5. ARM - Datastreams - goes7ir

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

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

  6. RAPID/Roadmap/18-MT-a | Open Energy Information

    Open Energy Info (EERE)

    Bulk Transmission Geothermal Hydropower Solar Tools Contribute Contact Us Underground Storage Tank Permit (18-MT-a) A developer must obtain an Underground Storage Tank...

  7. RAPID/Roadmap/20-MT-a | Open Energy Information

    Open Energy Info (EERE)

    Us Well Abandonment Process (20-MT-a) Montana requires the employment of particular engineering standards when abandoning wells. Developers may elect to abandon wells or...

  8. Vertical Electrical Sounding Configurations At Mt Princeton Hot...

    Open Energy Info (EERE)

    navigation, search GEOTHERMAL ENERGYGeothermal Home Exploration Activity: Vertical Electrical Sounding Configurations At Mt Princeton Hot Springs Geothermal Area (Zohdy, Et Al.,...

  9. RAPID/Roadmap/12-MT-a | Open Energy Information

    Open Energy Info (EERE)

    not in range. Flowchart Narrative 12-MT-a.1 - Consult Regarding Potential Impacts on Fish and Wildlife Building with Wildlife, a guide developed by private landowners,...

  10. RAPID/Roadmap/3-MT-c | Open Energy Information

    Open Energy Info (EERE)

    Permitting Information Desktop Toolkit BETA About Bulk Transmission Geothermal Hydropower Solar Tools Contribute Contact Us State Encroachment Process (3-MT-c) There are several...

  11. RAPID/Roadmap/11-MT-a | Open Energy Information

    Open Energy Info (EERE)

    Permitting Information Desktop Toolkit BETA About Bulk Transmission Geothermal Hydropower Solar Tools Contribute Contact Us State Cultural Considerations Overview (11-MT-a)...

  12. RAPID/Roadmap/6-MT-d | Open Energy Information

    Open Energy Info (EERE)

    Permitting Information Desktop Toolkit BETA About Bulk Transmission Geothermal Hydropower Solar Tools Contribute Contact Us Other State Construction Permits (6-MT-d)...

  13. RAPID/Roadmap/4-MT-a | Open Energy Information

    Open Energy Info (EERE)

    Permitting Information Desktop Toolkit BETA About Bulk Transmission Geothermal Hydropower Solar Tools Contribute Contact Us State Exploration Process (4-MT-a) 04MTAStateExploration...

  14. RAPID/Roadmap/11-MT-b | Open Energy Information

    Open Energy Info (EERE)

    Permitting Information Desktop Toolkit BETA About Bulk Transmission Geothermal Hydropower Solar Tools Contribute Contact Us Human Remains Process (11-MT-b) 11MTBHumanRemainsProcess...

  15. RAPID/Roadmap/14-MT-d | Open Energy Information

    Open Energy Info (EERE)

    Permitting Information Desktop Toolkit BETA About Bulk Transmission Geothermal Hydropower Solar Tools Contribute Contact Us 401 Water Quality Certification (14-MT-d) A person may...

  16. 3D Mt Resistivity Imaging For Geothermal Resource Assessment...

    Open Energy Info (EERE)

    Mt Resistivity Imaging For Geothermal Resource Assessment And Environmental Mitigation At The Glass Mountain Kgra, California Jump to: navigation, search OpenEI Reference...

  17. RAPID/Roadmap/18-MT-b | Open Energy Information

    Open Energy Info (EERE)

    Bulk Transmission Geothermal Hydropower Solar Tools Contribute Contact Us Hazardous Waste Facility Permit (18-MT-b) The Montana Department of Environmental Quality (DEQ)...

  18. Refraction Survey At Mt Princeton Hot Springs Geothermal Area...

    Open Energy Info (EERE)

    Location Mt Princeton Hot Springs Geothermal Area Exploration Technique Refraction Survey Activity Date 2012 - 2012 Usefulness useful DOE-funding Unknown Exploration Basis...

  19. RAPID/Roadmap/15-MT-a | Open Energy Information

    Open Energy Info (EERE)

    BETA About Bulk Transmission Geothermal Hydropower Solar Tools Contribute Contact Us Air Quality Permit (15-MT-a) The Montana Department of Environmental Quality (DEQ)...

  20. Controlled Source Audio MT At Cove Fort Area - Liquid (Combs...

    Open Energy Info (EERE)

    search GEOTHERMAL ENERGYGeothermal Home Exploration Activity: Controlled Source Audio MT At Cove Fort Area - Liquid (Combs 2006) Exploration Activity Details Location Cove...

  1. Controlled Source Audio MT At Mccoy Geothermal Area (DOE GTP...

    Open Energy Info (EERE)

    search GEOTHERMAL ENERGYGeothermal Home Exploration Activity: Controlled Source Audio MT At Mccoy Geothermal Area (DOE GTP) Exploration Activity Details Location Mccoy...

  2. Aeromagnetic Survey At Mt Princeton Hot Springs Geothermal Area...

    Open Energy Info (EERE)

    Princeton Hot Springs Geothermal Area (Case, Et Al., 1984) Jump to: navigation, search GEOTHERMAL ENERGYGeothermal Home Exploration Activity: Aeromagnetic Survey At Mt Princeton...

  3. RAPID/Roadmap/1-MT-a | Open Energy Information

    Open Energy Info (EERE)

    RAPIDRoadmap1-MT-a < RAPID | Roadmap Jump to: navigation, search RAPID Regulatory and Permitting Information Desktop Toolkit BETA About Bulk Transmission Geothermal Hydropower...

  4. RAPID/Roadmap/11-MT-c | Open Energy Information

    Open Energy Info (EERE)

    RAPIDRoadmap11-MT-c < RAPID | Roadmap Jump to: navigation, search RAPID Regulatory and Permitting Information Desktop Toolkit BETA About Bulk Transmission Geothermal...

  5. RAPID/Roadmap/14-MT-e | Open Energy Information

    Open Energy Info (EERE)

    Geothermal Hydropower Solar Tools Contribute Contact Us Groundwater Pollution Control System (14-MT-e) The Montana Department of Environmental Quality (DEQ) regulates the...

  6. RAPID/Roadmap/14-MT-c | Open Energy Information

    Open Energy Info (EERE)

    Geothermal Hydropower Solar Tools Contribute Contact Us Underground Injection Control Permit (14-MT-c) The United States Environmental Protection Agency (EPA) has not...

  7. City of Mt Pleasant, Iowa (Utility Company) | Open Energy Information

    Open Energy Info (EERE)

    Number: (319) 385-2121 Website: mountpleasantiowa.orgalliance Twitter: @MtPleasantIOWA Facebook: https:www.facebook.commountpleasantia Outage Hotline: (319) 385-2121...

  8. Water Sampling At Mt Princeton Hot Springs Geothermal Area (Olson...

    Open Energy Info (EERE)

    Jump to: navigation, search GEOTHERMAL ENERGYGeothermal Home Exploration Activity: Water Sampling At Mt Princeton Hot Springs Geothermal Area (Olson & Dellechaie, 1976)...

  9. Water Sampling At Mt St Helens Area (Shevenell & Goff, 1995)...

    Open Energy Info (EERE)

    Jump to: navigation, search GEOTHERMAL ENERGYGeothermal Home Exploration Activity: Water Sampling At Mt St Helens Area (Shevenell & Goff, 1995) Exploration Activity Details...

  10. Analysis of borehole temperature data from the Mt. Princeton...

    Open Energy Info (EERE)

    borehole temperature data from the Mt. Princeton Hot Springs area, Chaffee County, Colorado (abstract only) Jump to: navigation, search OpenEI Reference LibraryAdd to library...

  11. Targeting Mycobacterium tuberculosis Biotin Protein Ligase (MtBPL...

    Office of Scientific and Technical Information (OSTI)

    tuberculosis Biotin Protein Ligase (MtBPL) with Nucleoside-Based Bisubstrate Adenylation Inhibitors Citation Details In-Document Search Title: Targeting Mycobacterium tuberculosis ...

  12. Magnetotelluric Techniques At Mt Princeton Hot Springs Geothermal...

    Open Energy Info (EERE)

    Techniques At Mt Princeton Hot Springs Geothermal Area (Held & Henderson, 2012) Jump to: navigation, search GEOTHERMAL ENERGYGeothermal Home Exploration Activity: Magnetotelluric...

  13. RAPID/Roadmap/5-MT-a | Open Energy Information

    Open Energy Info (EERE)

    Geothermal Hydropower Solar Tools Contribute Contact Us Drilling and Well Development (5-MT-a) - 05MTADrillingAndWellDevelopment (1).pdf Error creating thumbnail: Page number...

  14. Mt Princeton Hot Springs Geothermal Area | Open Energy Information

    Open Energy Info (EERE)

    in the area. Since 2007 Mt. Princeton Geothermal, LLC has been assessing the area for its geothermal energy production potential. The company has conducted several preliminary...

  15. Thermal Gradient Holes At Mt Princeton Hot Springs Geothermal...

    Open Energy Info (EERE)

    Jump to: navigation, search GEOTHERMAL ENERGYGeothermal Home Exploration Activity: Thermal Gradient Holes At Mt Princeton Hot Springs Geothermal Area (Held & Henderson, 2012)...

  16. Geothermometry At Mt St Helens Area (Shevenell & Goff, 1995)...

    Open Energy Info (EERE)

    St Helens Area (Shevenell & Goff, 1995) Jump to: navigation, search GEOTHERMAL ENERGYGeothermal Home Exploration Activity: Geothermometry At Mt St Helens Area (Shevenell & Goff,...

  17. American Flyers N-I Wine Makers

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

    Flyers N-I Wine Makers WSI leads charge in local bike events. NSTec recognizes top performers in NNSS mission. Navarro employees enjoy wine making hobby. See page 8. See page 7. Do You Know Where To Find Latest NNSS Info? In late August, a rainstorm in Las Vegas caused flooding near Mt. Charleston that washed the remnants of this summer's Carpenter Fire across U.S. 95, blocking the roadway. It was 11 p.m. on a Sunday night, and the road closure threatened Nevada National Security Site (NNSS)

  18. WPA Omnibus Award MT Wind Power Outreach

    SciTech Connect (OSTI)

    Brian Spangler, Manager Energy Planning and Renewables

    2012-01-30

    The objective of this grant was to further the development of Montana’s vast wind resources for small, medium, and large scale benefits to Montana and the nation. This was accomplished through collaborative work with wind industry representatives, state and local governments, the agricultural community, and interested citizens. Through these efforts MT Dept Environmental Quality (DEQ) was able to identify development barriers, educate and inform citizens, as well as to participate in regional and national dialogue that will spur the development of wind resources. The scope of DEQ’s wind outreach effort evolved over the course of this agreement from the development of the Montana Wind Working Group and traditional outreach efforts, to the current focus on working with the state’s university system to deliver a workforce trained to enter the wind industry.

  19. IR-2003- | Department of Energy

    Energy Savers [EERE]

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

  20. RAPID/Roadmap/17-MT-b | Open Energy Information

    Open Energy Info (EERE)

    Stream Protection Act (SPA 124 Permit) (17-MT-b) Montana has a policy to preserve fish and wildlife habitat as well as maintain Montana's streams and rivers in their natural...

  1. HERO Ski Trip to Mt. Hood Meadows February

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

    If there is enough interest, we may be able to charter a bus to drive us up and back. Stay at the Best Western Plus Hood River Inn which is just 30 miles from Mt. Hood's largest...

  2. MT Energie GmbH Co KG | Open Energy Information

    Open Energy Info (EERE)

    Saxony, Germany Zip: 27404 Sector: Services Product: MT-Energie provides both turn-key biogas plants and related components and services. Coordinates: 53.295765, 9.27964 Show...

  3. RAPID/Roadmap/3-MT-a | Open Energy Information

    Open Energy Info (EERE)

    Resources & Conservation. The application requires an adequate description of the lands. The application fee is 10. 3-MT-a.2 - Does the Director Decide to Announce the Sale...

  4. RAPID/Roadmap/13-MT-a | Open Energy Information

    Open Energy Info (EERE)

    Contribute Contact Us State Land Use Assessment (13-MT-a) 13MTALandUseAssessment.pdf Error creating thumbnail: Page number not in range. Error creating thumbnail: Page number...

  5. RAPID/Roadmap/3-MT-b | Open Energy Information

    Open Energy Info (EERE)

    Tools Contribute Contact Us State Land Lease (3-MT-b) 03MTBStateLandAccess (1).pdf Error creating thumbnail: Page number not in range. Error creating thumbnail: Page number...

  6. RAPID/Roadmap/6-MT-c | Open Energy Information

    Open Energy Info (EERE)

    Contact Us Drinking Water Permit (6-MT-c) Add Text 06MTCDrinkingWaterPermit.pdf Error creating thumbnail: Page number not in range. Error creating thumbnail: Page number...

  7. Ground Gravity Survey At Mt Princeton Hot Springs Geothermal...

    Open Energy Info (EERE)

    lithologic distrubtions Notes Gravity low associated with Mt. Princeton Batholith; density contrast of -0.5 gcm3 of valley-fill sediments relative to batholith References J.E....

  8. 2007-mt-elbert | netl.doe.gov

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

    showing Donyon Rig Photo courtesy Doyon Drilling Inc Project Background Maps of Research ... The drilling of the "Mt. Elbert prospect" within the Milne Point Unit (MPU) on the Alaskan ...

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

    SciTech Connect (OSTI)

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

    2014-01-01

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

  10. CampanileMtTamalpiasSunset_caption.jpg | OSTI, US Dept of Energy Office of

    Office of Scientific and Technical Information (OSTI)

    Scientific and Technical Information CampanileMtTamalpiasSunset_caption

  11. ARM - Field Campaign - Black Carbon at the Mt. Bachelor Observatory

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

    govCampaignsBlack Carbon at the Mt. Bachelor Observatory Comments? We would love to hear from you! Send us a note below or call us at 1-888-ARM-DATA. Send Campaign : Black Carbon at the Mt. Bachelor Observatory 2016.06.15 - 2016.10.01 Lead Scientist : Daniel Jaffe Abstract Black carbon (BC) is a key component in the earth system and a significant climate forcing agent. Observations at remote sites and in free-tropospheric air are extremely sparse. We propose to utilize one of the ARM SP2 (Single

  12. HERO PRESENTS A DAY HIKE AT MT. ST. HELENS

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

    HERO PRESENTS A DAY HIKE AT MT. ST. HELENS Saturday, September 10, 2016 Mt. St. Helens lost its top on May 18, 1980 (see the 'before' and 'after' pictures above). The environment has been left to respond naturally to the disturbance - and we'll see how it is doing 36 years into recovery. We'll head to Windy Ridge and walk the "sand ladder," hike towards Norway Pass, take the Meta Lake trail, and see the miner's car in person (pictured below); lots of photo opportunities!! This is a

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

    Office of Environmental Management (EM)

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

  14. Babb, MT Liquefied Natural Gas Exports (Million Cubic Feet)

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

    (Million Cubic Feet) Babb, MT Liquefied Natural Gas Exports (Million Cubic Feet) Year Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec 2015 5 - = No Data Reported; -- = Not Applicable; NA = Not Available; W = Withheld to avoid disclosure of individual company data. Release Date: 08/31/2016 Next Release Date: 09/30/2016 Referring Pages: U.S.

  15. Www.deq.mt.gov/MFS/LawRules/Circular2 | Open Energy Information

    Open Energy Info (EERE)

    Www.deq.mt.govMFSLawRulesCircular2 Jump to: navigation, search OpenEI Reference LibraryAdd to library Reference: Www.deq.mt.govMFSLawRulesCircular2 Published Publisher Not...

  16. Price of Babb, MT Liquefied Natural Gas Exports to Canada (Dollars...

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

    Babb, MT Liquefied Natural Gas Exports to Canada (Dollars per Thousand Cubic Feet) Price of Babb, MT Liquefied Natural Gas Exports to Canada (Dollars per Thousand Cubic Feet) Year...

  17. 3-D Density Model Of Mt Etna Volcano (Southern Italy) | Open...

    Open Energy Info (EERE)

    Density Model Of Mt Etna Volcano (Southern Italy) Jump to: navigation, search OpenEI Reference LibraryAdd to library Journal Article: 3-D Density Model Of Mt Etna Volcano (Southern...

  18. [NiIII(OMe)]-mediated reductive activation of CO2 affording a Ni(κ1-OCO) complex

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

    Chiou, Tzung -Wen; Tseng, Yen -Ming; Lu, Tsai -Te; Weng, Tsu -Chien; Sokaras, Dimosthenes; Ho, Wei -Chieh; Kuo, Ting -Shen; Jang, Ling -Yun; Lee, Jyh -Fu; Liaw, Wen -Feng

    2016-02-24

    Here, carbon dioxide is expected to be employed as an inexpensive and potential feedstock of C1 sources for the mass production of valuable chemicals and fuel. Versatile chemical transformations of CO2, i.e. insertion of CO2 producing bicarbonate/acetate/formate, cleavage of CO2 yielding μ-CO/μ-oxo transition-metal complexes, and electrocatalytic reduction of CO2 affording CO/HCOOH/CH3OH/CH4/C2H4/oxalate were well documented. Herein, we report a novel pathway for the reductive activation of CO2 by the [NiIII(OMe)(P(C6H3-3-SiMe3-2-S)3)]– complex, yielding the [NiIII(κ1-OCO˙–)(P(C6H3-3-SiMe3-2-S)3)]– complex. The formation of this unusual NiIII(κ1-OCO˙–) complex was characterized by single-crystal X-ray diffraction, EPR, IR, SQUID, Ni/S K-edge X-ray absorption spectroscopy, and Ni valence-to-core X-ray emissionmore » spectroscopy. The inertness of the analogous complexes [NiIII(SPh)], [NiII(CO)], and [NiII(N2H4)] toward CO2, in contrast, demonstrates that the ionic [NiIII(OMe)] core attracts the binding of weak σ-donor CO2 and triggers the subsequent reduction of CO2 by the nucleophilic [OMe]– in the immediate vicinity. This metal–ligand cooperative activation of CO2 may open a novel pathway promoting the subsequent incorporation of CO2 in the buildup of functionalized products.« less

  19. Sweetgrass, MT Liquefied Natural Gas Exports (Million Cubic Feet)

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

    (Million Cubic Feet) Sweetgrass, MT Liquefied Natural Gas Exports (Million Cubic Feet) Year Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec 2013 7 5 2014 8 11 10 8 8 5 6 6 6 6 6 7 2015 5 4 5 5 5 4 - = No Data Reported; -- = Not Applicable; NA = Not Available; W = Withheld to avoid disclosure of individual company data. Release Date: 08/31/2016 Next Release Date: 09/30/2016 Referring Pages: U.S.

  20. ARM - Datastreams - goes7ir8

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

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

  1. Papua New Guinea MT: Looking where seismic is blind

    SciTech Connect (OSTI)

    Hoversten, G.M.

    1996-11-01

    Hydrocarbon exploration in the Papuan fold belt is made extremely difficult by mountainous terrain, equatorial jungle and thick karstified Miocene limestones at the surface. The high-velocity karstified limestones at or near the surface often render the seismic technique useless for imaging the subsurface. In such areas magnetotellurics (MT) provides a valuable capability for mapping subsurface structure. Numerical and field data examples are presented which demonstrate the severity of the 1D errors and the improvements in accuracy which can be achieved using a 2D inverse solution. Two MT lines over adjacent anticlines, both with well control and seismic data, are used to demonstrate the application of 1D and 2D inversions for structural models. The example over the Hides anticline illustrates a situation where 1D inversion of either TE or TM mode provides essentially the same depth to base of Darai as 2D inversion of both TE and TM. The example over the Angore anticline illustrates the inadequacy of 1D inversion in structurally complex geology complicated by electrical statics. Four MT lines along the Angore anticline have been interpreted using 2D inversion. Three-dimensional modelling has been used to simulate 3D statics in an otherwise 2D earth. These data were used to test the Groom-Bailey (GB) decomposition for possible benefits in reducing static effects and estimating geoelectric strike in the Papua New Guinea (PNG) field data. It has been found that the GB decomposition can provide improved regional 2D strike estimates in 3D contaminated data. However, in situations such as PNG, where the regional 2D strike is well established and hence can be fixed, the GB decomposition provides apparent resistivities identical to those simply rotated to strike.

  2. Sweetgrass, MT Natural Gas Imports by Pipeline from Canada

    Gasoline and Diesel Fuel Update (EIA)

    (Million Cubic Feet) Sweetgrass, MT Liquefied Natural Gas Exports (Million Cubic Feet) Year Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec 2013 7 5 2014 8 11 10 8 8 5 6 6 6 6 6 7 2015 5 4 5 5 5 4 - = No Data Reported; -- = Not Applicable; NA = Not Available; W = Withheld to avoid disclosure of individual company data. Release Date: 08/31/2016 Next Release Date: 09/30/2016 Referring Pages: U.S. Cubic Feet)

    Decade Year-0 Year-1 Year-2 Year-3 Year-4 Year-5 Year-6 Year-7 Year-8 Year-9 2010's

  3. Sweetgrass, MT Liquefied Natural Gas Pipeline Exports to Canada (Million

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

    Cubic Feet) Pipeline Exports to Canada (Million Cubic Feet) Sweetgrass, MT Liquefied Natural Gas Pipeline Exports to Canada (Million Cubic Feet) Year Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec 2012 2 2013 3 5 4 6 9 8 5 8 7 5 7 5 2014 8 11 10 8 8 5 6 6 6 6 6 7 2015 5 4 5 5 5 4 - = No Data Reported; -- = Not Applicable; NA = Not Available; W = Withheld to avoid disclosure of individual company data. Release Date: 08/31/2016 Next Release Date: 09/30/2016 Referring Pages: U.S. Liquefied

  4. Effect of Sodium Sulfide on Ni-Containing Carbon Monoxide Dehydrogenases

    SciTech Connect (OSTI)

    Jian Feng; Paul A. Lindahl

    2004-07-28

    OAK-B135 The structure of the active-site C-cluster in CO dehydrogenase from Carboxythermus hydrogenoformans includes a {mu}{sup 2}-sulfide ion bridged to the Ni and unique Fe, while the same cluster in enzymes from Rhodospirillum rubrum (CODH{sub Rr}) and Moorella thermoacetica (CODH{sub Mt}) lack this ion. This difference was investigated by exploring the effects of sodium sulfide on activity and spectral properties. Sulfide partially inhibited the CO oxidation activity of CODH{sub Rr} and generated a lag prior to steady-state. CODH{sub Mt} was inhibited similarly but without a lag. Adding sulfide to CODH{sub Mt} in the C{sub red1} state caused the g{sub av} = 1.82 EPR signal to decline and new features to appear, including one with g = 1.95, 1.85 and (1.70 or 1.62). Removing sulfide caused the g{sub av} = 1.82 signal to reappear and activity to recover. Sulfide did not affect the g{sub av} = 1.86 signal from the C{sub red2} state. A model was developed in which sulfide binds reversibly to C{sub red1}, inhibiting catalysis. Reducing this adduct causes sulfide to dissociate, C{sub red2} to develop, and activity to recover. Using this model, apparent K{sub I} values are 40 {+-} 10 nM for CODH{sub Rr} and 60 {+-} 30 {micro}M for CODH{sub Mt}. Effects of sulfide are analogous to those of other anions, including the substrate hydroxyl group, suggesting that these ions also bridge the Ni and unique Fe. This proposed arrangement raises the possibility that CO binding labilizes the bridging hydroxyl and increases its nucleophilic tendency towards attacking Ni-bound carbonyl.

  5. IR Spectral Bands and Performance | Open Energy Information

    Open Energy Info (EERE)

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

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

    Office of Scientific and Technical Information (OSTI)

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

  7. Rock Sampling At Mt Ranier Area (Frank, 1995) | Open Energy Informatio...

    Open Energy Info (EERE)

    Exploration Activity Details Location Mt Ranier Area Exploration Technique Rock Sampling Activity Date Usefulness not indicated DOE-funding Unknown Notes This paper relies...

  8. Controlled Source Audio MT At Pilgrim Hot Springs Area (DOE GTP...

    Open Energy Info (EERE)

    search GEOTHERMAL ENERGYGeothermal Home Exploration Activity: Controlled Source Audio MT At Pilgrim Hot Springs Area (DOE GTP) Exploration Activity Details Location Pilgrim...

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

    SciTech Connect (OSTI)

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

    2015-01-10

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

  10. Airtricity Developments NI Ltd | Open Energy Information

    Open Energy Info (EERE)

    Airtricity Developments NI Ltd Jump to: navigation, search Name: Airtricity Developments NI Ltd Place: Belfast, Northern Ireland, United Kingdom Zip: BT2 7AF Sector: Wind energy...

  11. SF 6432-NI (04-95)

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

    Retrieve latest version electronically. SF 6432-NI (061411) SECTION II STANDARD TERMS ... Control : SF 6432-NI Title: Standard Terms & Conditions for Fixed Price Contracts With ...

  12. A Large Self-Potential Anomaly And Its Changes On The Quiet Mt...

    Open Energy Info (EERE)

    Large Self-Potential Anomaly And Its Changes On The Quiet Mt Fuji, Japan Jump to: navigation, search OpenEI Reference LibraryAdd to library Journal Article: A Large Self-Potential...

  13. Magnetic properties of double perovskite La2BMnO6 (B = Ni or Co) nanoparticles

    SciTech Connect (OSTI)

    Mao, Yuanbing; Parsons, Jason; McCloy, John S.

    2013-03-31

    Double perovskite La2BMnO6 (B = Ni and Co) nanoparticles with average particle size of ~50 nm were synthesized using a facile, environmentally friendly, scalable molten-salt reaction at 700 C in air. Their structural and morphological properties were characterized by x-ray diffraction and transmission electron microscopy. Magnetic properties were evaluated using dc magnetic M-T and M-H, and ac magnetic susceptibility versus frequency, temperature, and field. The magnetization curve shows a paramagnetic-ferromagnetic transition at TC ~275 and 220 K for La2NiMnO6 (LNMO) and La2CoMnO6 (LCMO) nanoparticles, respectively. ac susceptibility revealed that the LCMO had a single magnetic transition indicative of Co2+-O2--Mn4+ ordering, whereas the LNMO showed more complex magnetic behavior suggesting a re-entrant spin glass.

  14. Gated IR Images of Shocked Surfaces

    SciTech Connect (OSTI)

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

    2001-06-01

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

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

    SciTech Connect (OSTI)

    N Marinkovic; Q Wang; A Frenkel

    2011-12-31

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

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

    SciTech Connect (OSTI)

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

    2015-01-20

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

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

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

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

    2015-01-20

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

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

    SciTech Connect (OSTI)

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

    2013-06-01

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

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

    Office of Scientific and Technical Information (OSTI)

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

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

    DOE Patents [OSTI]

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

    2006-01-03

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

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

    Office of Scientific and Technical Information (OSTI)

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

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

    Office of Scientific and Technical Information (OSTI)

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

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

    Office of Scientific and Technical Information (OSTI)

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

  4. Experiment operations plan for the MT-4 experiment in the NRU reactor. [PWR

    SciTech Connect (OSTI)

    Russcher, G.E.; Wilson, C.L.; Parchen, L.J.; Marshall, R.K.; Hesson, G.M.; Webb, B.J.; Freshley, M.D.

    1983-06-01

    A series of thermal-hydraulic and cladding materials deformation experiments were conducted using light-water reactor fuel bundles as part of the Pacific Northwest Laboratory Loss-of-Coolant Accident (LOCA) Simulation Program. This report is the formal operations plan for MT-4 - the fourth materials deformation experiment conducted in the National Research Universal (NRU) reactor, Chalk River, Ontario, Canada. A major objective of MT-4 was to simulate a pressurized water reactor LOCA that could induce fuel rod cladding deformation and rupture due to a short-term adiabatic transient and a peak fuel cladding temperature of 1200K (1700/sup 0/F).

  5. IR keeps coal miners safe and reduces downtime

    SciTech Connect (OSTI)

    Massey, L.G.

    2009-01-15

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

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

    DOE Patents [OSTI]

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

    2005-09-13

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

  7. NaIrO3A Pentavalent Post-perovskite

    SciTech Connect (OSTI)

    M Bremholm; S Dutton; P Stephens; R Cava

    2011-12-31

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

  8. MT71x: Multi-Temperature Library Based on ENDF/B-VII.1

    SciTech Connect (OSTI)

    Conlin, Jeremy Lloyd; Parsons, Donald Kent; Gray, Mark Girard; Lee, Mary Beth; White, Morgan Curtis

    2015-12-16

    The Nuclear Data Team has released a multitemperature transport library, MT71x, based upon ENDF/B-VII.1 with a few modifications as well as additional evaluations for a total of 427 isotope tables. The library was processed using NJOY2012.39 into 23 temperatures. MT71x consists of two sub-libraries; MT71xMG for multigroup energy representation data and MT71xCE for continuous energy representation data. These sub-libraries are suitable for deterministic transport and Monte Carlo transport applications, respectively. The SZAs used are the same for the two sub-libraries; that is, the same SZA can be used for both libraries. This makes comparisons between the two libraries and between deterministic and Monte Carlo codes straightforward. Both the multigroup energy and continuous energy libraries were verified and validated with our checking codes checkmg and checkace (multigroup and continuous energy, respectively) Then an expanded suite of tests was used for additional verification and, finally, verified using an extensive suite of critical benchmark models. We feel that this library is suitable for all calculations and is particularly useful for calculations sensitive to temperature effects.

  9. Combination of emulsion chamber and air shower array at Mt. Chacaltaya

    SciTech Connect (OSTI)

    Kawasumi, N.; Tsushima, I.; Honda, K.; Hashimoto, K. ); Matano, T. ); Mori, K.; Inoue, N.; Ticona, R. ); Ohsawa, A. ); Tamada, M. ); Martinic, N.; Aliaga, Z.; Reguerin, A.; Aguirre, C. )

    1993-06-15

    Data of 34 familes with the accompanying air showers, observed by the combination of emulsion chamber and air shower array at Mt. Chacaltaya, are presented. Comparison with the simulation calculation concludes that a change is necessary in the characteristics of hadron interactions in [ital E][sub 0][ge]10[sup 15] eV.

  10. Improving the phase stability and oxidation resistance of B-NiAl

    SciTech Connect (OSTI)

    Brammer, Travis

    2011-08-15

    replacing Ni based superalloys. Modifications to NiAl were explored to increase the phase stability and oxidation resistance which would allow these alloys to be used at even higher temperatures yielding greater efficiencies. The extended Miedema model was an effective tool that screened all of the potential phase space for ternary substitutions to NiAl and found the few potential systems worth further investigation. After production of the alloys it was determined that Ir, Rh, and Pd were the top candidates for substitution on Ni site up to 12 at%. The melting temperature of NiAl could be increased as much as 150 C with 12 at% Ir and 130 C with 12 at% Rh substitution. Pall adium on the other hand decreased the melting temperature by 50 C at the 12 at% substitution level. The grain size was found to have a profound influence on the oxidation resistance. Both Ir and Rh substitutions resulted in finer grain sizes compared to Pd substitutions or base NiAl. The grain size increased drastically during high temperature annealing with the PGM substitutions hindering grain growth only slightly. However, the addition of 0.05 at% Hf limited the grain growth dramatically during high temperature annealing. NiAl inherently has respectable oxidation resistance up to 1100 C. It was found through experimental testing that both Ir and Rh substitutions improve the oxidation resistance of NiAl at ultra-high temperatures with Ir performing the best. Both PGM substitutions decreased the growth rate as well as forming a more adherent oxide scale. Pd substitutions appeared to have a negligible effect to the oxidation resistance of NiAl. Hafnium addition of 0.05 at% was found to decrease the oxidation rate as well as increase the scale adherence. The combination of both Ir substitution (6-9 at%) and Hf addition (0.05 at%) produced the alloy with the best oxidation resistance. Although improvements in phase stability and oxidation resistance have been made to the NiAl system, more development and

  11. IMPROVED Ni I log(gf) VALUES AND ABUNDANCE DETERMINATIONS IN THE PHOTOSPHERES OF THE SUN AND METAL-POOR STAR HD 84937

    SciTech Connect (OSTI)

    Wood, M. P.; Lawler, J. E.; Sneden, C.; Cowan, J. J. E-mail: jelawler@wisc.edu E-mail: cowan@nhn.ou.edu

    2014-04-01

    Atomic transition probability measurements for 371 Ni I lines in the UV through near-IR are reported. Branching fractions from data recorded using a Fourier transform spectrometer and a new echelle spectrograph are combined with published radiative lifetimes to determine these transition probabilities. Generally good agreement is found in comparisons to previously reported Ni I transition probability measurements. Use of the new echelle spectrograph, independent radiometric calibration methods, and independent data analysis routines enable a reduction of systematic errors and overall improvement in transition probability uncertainty over previous measurements. The new Ni I data are applied to high-resolution visible and UV spectra of the Sun and metal-poor star HD 84937 to derive new, more accurate Ni abundances. Lines covering a wide range of wavelength and excitation potential are used to search for non-LTE effects.

  12. IRS Announces New Tribal Economic Development Bond Allocation Guidance

    Broader source: Energy.gov [DOE]

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

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

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

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

  14. New IRS Rules for Small and Medium Wind Turbines

    Broader source: Energy.gov [DOE]

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

  15. DWEA Webinar: IRS Guidance for Small Wind Turbines

    Broader source: Energy.gov [DOE]

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

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

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

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

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

    Office of Scientific and Technical Information (OSTI)

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

  18. Energy Efficient Clothes Dryer with IR Heating and Electrostatic

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

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

  19. Hazard assessment in geothermal exploration: The case of Mt. Parker, Southern Philippines

    SciTech Connect (OSTI)

    Delfin, F.G. Jr.; Salonga, N.D.; Bayon, F.E.B.

    1996-12-31

    Hazard assessment of the Mt. Parker geothermal prospect, conducted in parallel with the surface exploration from 1992 to 1994, was undertaken to determine the long-term suitability of the prospect for development. By comparison with other acidic magmatic-hydrothermal systems in the Philippines, the geochemical data indicated minimal input of acidic magmatic fluids into Mt. Parker`s hydrothermal system. This system was regarded to be a neutral-pH and high-enthalpy chloride reservoir with temperature of at least 200-250{degrees}C. These favorable geochemical indications contrasted sharply with the C-14 and volcanological data indicating a shallow magmatic body with a potential for future eruption. This hazard led PNOC EDC to discontinue the survey and abandon the prospect by late 1994. On September 6, 1995, a flashflood of non-volcanic origin from the caldera lake killed nearly 100 people on the volcano`s northwestern flank.

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

    DOE Patents [OSTI]

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

    1985-01-04

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

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

    DOE Patents [OSTI]

    Johnson, Charles C.; Taylor, Larry T.

    1986-01-01

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

  2. Babb, MT Liquefied Natural Gas Exports to Canada (Million Cubic Feet)

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

    Liquefied Natural Gas Exports to Canada (Million Cubic Feet) Babb, MT Liquefied Natural Gas Exports to Canada (Million Cubic Feet) Year Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec 2015 5 - = No Data Reported; -- = Not Applicable; NA = Not Available; W = Withheld to avoid disclosure of individual company data. Release Date: 08/31/2016 Next Release Date: 09/30/2016 Referring Pages: U.S. Liquefied Natural Gas

  3. Havre, MT Natural Gas Pipeline Imports From Canada (Million Cubic Feet)

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

    Million Cubic Feet) Havre, MT Natural Gas Pipeline Imports From Canada (Million Cubic Feet) Decade Year-0 Year-1 Year-2 Year-3 Year-4 Year-5 Year-6 Year-7 Year-8 Year-9 1990's NA NA 2000's 1,309 NA NA 0 - = No Data Reported; -- = Not Applicable; NA = Not Available; W = Withheld to avoid disclosure of individual company data. Release Date: 08/31/2016 Next Release Date: 09/30/2016 Referring Pages: U.S.

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

    SciTech Connect (OSTI)

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

    2015-12-15

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

  5. Significant Reduction in NiO Band Gap Upon Formation of LixNi1...

    Office of Scientific and Technical Information (OSTI)

    Significant Reduction in NiO Band Gap Upon Formation of LixNi1-xO alloys: Applications To Solar Energy Conversion Citation Details In-Document Search Title: Significant Reduction ...

  6. SF 6432-NI (02-22-10)

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

    be controlling. All deliverables under this Contract shall use andor be in the English language. NI14 - PAYMENT Contractor agrees to provide invoices within 60 days of...

  7. SF 6432-NI (04-95)

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

    be controlling. All deliverables under this Contract shall use andor be in the English language. NI15 - PAYMENT Contractor agrees to provide invoices within 60 days of...

  8. SF 6432-NI (04-95)

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

    be controlling. All deliverables under this Contract shall use andor be in the English language. NI14 - PAYMENT Contractor agrees to provide invoices within 60 days of...

  9. SF 6432-NI (04-95)

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

    descending order of precedence: (1) Section I; (2) SF 6432-NI, Section II. The English language version of this Contract shall be controlling. All deliverables under this...

  10. Ni Clusterbank Replacement Project | Argonne Leadership Computing...

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

    Ni Clusterbank Replacement Project Event Sponsor: Argonne Leadership Computing Facility Seminar Start Date: Oct 20 2015 - 12:00pm BuildingRoom: Building 241Room D173...

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

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

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

    2014-10-10

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

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

    SciTech Connect (OSTI)

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

    2015-12-15

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

  13. Steam reforming of fast pyrolysis-derived aqueous phase oxygenates over Co, Ni, and Rh metals supported on MgAl2O4

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

    Xing, Rong; Dagle, Vanessa Lebarbier; Flake, Matthew; Kovarik, Libor; Albrecht, Karl O.; Deshmane, Chinmay; Dagle, Robert A.

    2016-02-03

    In this paper we examine the feasibility of steam reforming the mixed oxygenate aqueous fraction derived from fast pyrolysis bio-oils. Catalysts selective towards hydrogen formation and resistant to carbon formation utilizing feeds with relatively low steam-to-carbon (S/C) ratios are desired. Rh (5 wt%), Pt (5 wt%), Ru (5 wt%), Ir (5 wt%), Ni (15 wt%), and Co (15 wt%) metals supported on MgAl2O4 were evaluated for catalytic performance at 500 °C and 1 atm using a complex feed mixture comprising acids, polyols, cycloalkanes, and phenolic compounds. The Rh catalyst was found to be the most active and resistant to carbonmore » formation. The Ni and Co catalysts were found to be more active than the other noble metal catalysts investigated (Pt, Ru, and Ir).« less

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

    SciTech Connect (OSTI)

    Yuan, Zhi-Min

    2013-04-28

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

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

    SciTech Connect (OSTI)

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

    2014-07-01

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

  16. Havre, MT Natural Gas Pipeline Imports From Canada (Dollars per Thousand

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

    Cubic Feet) Dollars per Thousand Cubic Feet) Havre, MT Natural Gas Pipeline Imports From Canada (Dollars per Thousand Cubic Feet) Decade Year-0 Year-1 Year-2 Year-3 Year-4 Year-5 Year-6 Year-7 Year-8 Year-9 1990's NA NA 2000's 3.66 NA NA -- - = No Data Reported; -- = Not Applicable; NA = Not Available; W = Withheld to avoid disclosure of individual company data. Release Date: 08/31/2016 Next Release Date: 09/30/2016 Referring Pages: U.S. Price of

  17. Vykson Formerly Turbine Developments NI Ltd | Open Energy Information

    Open Energy Info (EERE)

    Vykson Formerly Turbine Developments NI Ltd Jump to: navigation, search Name: Vykson (Formerly Turbine Developments (NI) Ltd) Place: Canterbury, England, United Kingdom Zip: BR6...

  18. In situ studies of surface of NiFe2O4 catalyst during complete oxidation of methane

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

    Zhang, Shiran; Shan, Junjun; Nie, Longhui; Nguyen, Luan; Wu, Zili; Tao, Franklin

    2015-12-21

    Here, NiFe2O4 with an inverse spinel structure exhibits high activity for a complete oxidation of methane at 400 °C–425 °C and a higher temperature. The surface of the catalyst and its adsorbates were well characterized with ambient pressure X-ray photoelectron spectroscopy (AP-XPS) and in situ infrared spectroscopy (IR). In situ studies of the surface of NiFe2O4 using AP-XPS suggest the formation of methoxy-like and formate-like intermediates at a temperature lower than 200 °C, supported by the observed vibrational signatures in in situ IR studies. Evolutions of C1s photoemission features and the nominal atomic ratios of C/(Ni + Fe) of themore » catalyst surface suggest that the formate-like intermediate is transformed to product molecules CO2 and H2O in the temperature range of 250–300 °C. In situ studies suggest the formation of a spectator, – Olattice – CH2 – Olattice –. It strongly bonds to surface through C–O bonds and cannot be activated even at 400 °C.« less

  19. Sr2IrO4: Gateway to cuprate superconductivity?

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

    Mitchell, J. F.

    2015-06-05

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

  20. Layering and temperature-dependent magnetization and anisotropy of naturally produced Ni/NiO multilayers

    SciTech Connect (OSTI)

    Pappas, S. D.; Trachylis, D.; Velgakis, M. J.; Kapaklis, V.; Joensson, P. E.; Papaioannou, E. Th.; Delimitis, A.; Poulopoulos, P.; Fumagalli, P.; Politis, C.

    2012-09-01

    Ni/NiO multilayers were grown by magnetron sputtering at room temperature, with the aid of the natural oxidation procedure. That is, at the end of the deposition of each single Ni layer, air is let to flow into the vacuum chamber through a leak valve. Then, a very thin NiO layer ({approx}1.2 nm) is formed. Simulated x-ray reflectivity patterns reveal that layering is excellent for individual Ni-layer thickness larger than 2.5 nm, which is attributed to the intercalation of amorphous NiO between the polycrystalline Ni layers. The magnetization of the films, measured at temperatures 5-300 K, has almost bulk-like value, whereas the films exhibit a trend to perpendicular magnetic anisotropy (PMA) with an unusual significant positive interface anisotropy contribution, which presents a weak temperature dependence. The power-law behavior of the multilayers indicates a non-negligible contribution of higher order anisotropies in the uniaxial anisotropy. Bloch-law fittings for the temperature dependence of the magnetization in the spin-wave regime show that the magnetization in the multilayers decreases faster as a function of temperature than the one of bulk Ni. Finally, when the individual Ni-layer thickness decreases below 2 nm, the multilayer stacking vanishes, resulting in a dramatic decrease of the interface magnetic anisotropy and consequently in a decrease of the perpendicular magnetic anisotropy.

  1. Ion irradiation induced defect evolution in Ni and Ni-based FCC equiatomic binary alloys

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

    Jin, Ke; Zhang, Yanwen; Bei, Hongbin

    2016-01-01

    In order to explore the chemical effects on radiation response of alloys with multi-principal elements, defect evolution under Au ion irradiation was investigated in the elemental Ni, equiatomic NiCo and NiFe alloys. Single crystals were successfully grown in an optical floating zone furnace and their (100) surfaces were irradiated with 3 MeV Au ions at fluences ranging from 1 × 1013 to 5 × 1015 ions cm–2 at room temperature. The irradiation-induced defect evolution was analyzed by using ion channeling technique. Experiment shows that NiFe is more irradiation-resistant than NiCo and pure Ni at low fluences. With continuously increasing themore » ion fluences, damage level is eventually saturated for all materials but at different dose levels. The saturation level in pure Ni appears at relatively lower irradiation fluence than the alloys, suggesting that damage accumulation slows down in the alloys. Here, under high-fluence irradiations, pure Ni has wider damage ranges than the alloys, indicating that defects in pure Ni have high mobility.« less

  2. Ion irradiation induced defect evolution in Ni and Ni-based FCC equiatomic binary alloys

    SciTech Connect (OSTI)

    Jin, Ke; Zhang, Yanwen; Bei, Hongbin

    2016-01-01

    In order to explore the chemical effects on radiation response of alloys with multi-principal elements, defect evolution under Au ion irradiation was investigated in the elemental Ni, equiatomic NiCo and NiFe alloys. Single crystals were successfully grown in an optical floating zone furnace and their (100) surfaces were irradiated with 3 MeV Au ions at fluences ranging from 1 × 1013 to 5 × 1015 ions cm–2 at room temperature. The irradiation-induced defect evolution was analyzed by using ion channeling technique. Experiment shows that NiFe is more irradiation-resistant than NiCo and pure Ni at low fluences. With continuously increasing the ion fluences, damage level is eventually saturated for all materials but at different dose levels. The saturation level in pure Ni appears at relatively lower irradiation fluence than the alloys, suggesting that damage accumulation slows down in the alloys. Here, under high-fluence irradiations, pure Ni has wider damage ranges than the alloys, indicating that defects in pure Ni have high mobility.

  3. Microsoft Word - NiR.doc

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

    In bacteria, NO is produced by nitrite reductase (NiR), a copper-containing enzyme, which ... required to define the mode of binding of the ligands to the active site copper. ...

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

    SciTech Connect (OSTI)

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

    2006-11-13

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

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

    SciTech Connect (OSTI)

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

    2005-05-16

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

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

    SciTech Connect (OSTI)

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

    2004-08-01

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

  7. Uranium hydrogeochemical and stream sediment reconnaissance of the Mt. Hayes NTMS quadrangle, Alaska

    SciTech Connect (OSTI)

    Not Available

    1981-05-01

    Results of a hydrogeochemical and stream sediment reconnaissance of the Mt. Hayes quadrangle, Alaska, are presented. In addition to this abbreviated data release, more complete data are available to the public in machine-readable form. In this data release are location data, field analyses, and Laboratory analyses of several different sample media. For the sake of brevity, many field site observations have not been included in this volume. These data are, however, available on the magnetic tape. Appendices A to D describe the sample media and summarize the analytical results for each medium. The data were subsetted by one of the Los Alamos National Laboratory (LANL) sorting programs into groups of stream sediment, lake sediment, stream water, lake water, and ground water samples. For each group which contains a sufficient number of observations, statistical tables, tables of raw data, and 1:1000000 scale maps of pertinent elements have been included in this report.

  8. Basin Play State(s) Production Reserves Williston Bakken ND, MT, SD

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

    tight oil plays: production and proved reserves, 2013-14 million barrels 2013 2013 Basin Play State(s) Production Reserves Williston Bakken ND, MT, SD 270 4,844 387 5,972 1,128 Western Gulf Eagle Ford TX 351 4,177 497 5,172 995 Permian Bone Spring, Wolfcamp NM, TX 21 335 53 722 387 Denver-Julesberg Niobrara CO, KS, NE, WY 2 17 42 512 495 Appalachian Marcellus* PA, WV 7 89 13 232 143 Fort Worth Barnett TX 9 58 9 47 -11 Sub-total 660 9,520 1,001 12,657 3,137 Other tight oil 41 523 56 708 185 U.S.

  9. Crustal models of the geothermal areas of Larderello and Mt. Amiata, Italy

    SciTech Connect (OSTI)

    Gianelli, G.; Manzella, A.; Puxeddu, M.

    1996-12-31

    The study of core samples and geophysical data from the Larderello and Mt. Amiata geothermal areas indicate the presence of granite intrusions and granitic dykes as old as 3.8-2.9 Ma and widespread contact aureoles. Reflection seismic surveys reveal the presence of a highly reflective horizon (named K) in a depth range of 3-12 km in the two geothermal areas; seismic tomography and teleseismic studies show at Larderello a low velocity body, 30-40 km wide below the K horizon. Magnetotelluric surveys indicate the presence of a conductive body in good correlation with the anomalous tomographic and teleseismic body. The occurrence of shallow intrusive bodies, still partially molten and associated with saline brines is here considered a reliable model.

  10. SF 6432-NI (04-95)

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

    6432-NI (11-03-2010) SECTION II STANDARD TERMS AND CONDITIONS FOR FIXED PRICE CONTRACTS WITH THE NEWLY INDEPENDENT STATES OF THE FORMER SOVIET UNION INDEX OF CLAUSES. THE FOLLOWING CLAUSES APPLY TO REQUESTS FOR QUOTATION AND CONTRACTS AS INDICATED UNLESS SPECIFICALLY DELETED, OR EXCEPT TO THE EXTENT THEY ARE SPECIFICALLY SUPPLEMENTED OR AMENDED IN WRITING IN THE SIGNATURE PAGE OR SECTION I. NI01 - ACCEPTANCE OF TERMS AND CONDITIONS Contractor, by signing this Agreement, beginning performance,

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

    Office of Scientific and Technical Information (OSTI)

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

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

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

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

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

    Office of Scientific and Technical Information (OSTI)

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

  14. 5 Hz Catalytic Emissions FT-IR Monitoring during Lean-Rich Engine...

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

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

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

    SciTech Connect (OSTI)

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

    1998-01-01

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

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

    SciTech Connect (OSTI)

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

    2014-11-01

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

  17. EIS-0092: Conversion to Coal, Holyoke Water Power Company, Mt. Tom Generating Station Unit 1 Holyoke, Hampden County, Massachusetts

    Broader source: Energy.gov [DOE]

    The Economic Regulatory Administration prepared this statement to assess the environmental impacts of prohibiting Unit 1 of the Mt. Tom Generation Station Unit 1 from using either natural gas or petroleum products as a primary energy source, which would result in the utility burning low-sulfur coal.

  18. Electronic circuits having NiAl and Ni.sub.3 Al substrates

    DOE Patents [OSTI]

    Deevi, Seetharama C.; Sikka, Vinod K.

    1999-01-01

    An electronic circuit component having improved mechanical properties and thermal conductivity comprises NiAl and/or Ni.sub.3 Al, upon which an alumina layer is formed prior to applying the conductive elements. Additional layers of copper-aluminum alloy or copper further improve mechanical strength and thermal conductivity.

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

    SciTech Connect (OSTI)

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

    2008-09-02

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

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

    SciTech Connect (OSTI)

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

    2004-05-11

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

  1. Blending Cr2O3 into a NiO-Ni electrocatalyst for sustained water splitting

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

    Gong, Ming; Zhou, Wu; Kenney, Michael James; Kapusta, Rich; Cowley, Sam; Wu, Yingpeng; Lu, Bingan; Lin, Meng -Chang; Wang, Di -Yan; Yang, Jiang; et al

    2015-08-24

    The rising H2 economy demands active and durable electrocatalysts based on low-cost, earth-abundant materials for water electrolysis/photolysis. Here we report nanoscale Ni metal cores over-coated by a Cr2O3-blended NiO layer synthesized on metallic foam substrates. The Ni@NiO/Cr2O3 triphase material exhibits superior activity and stability similar to Pt for the hydrogen-evolution reaction in basic solutions. The chemically stable Cr2O3 is crucial for preventing oxidation of the Ni core, maintaining abundant NiO/Ni interfaces as catalytically active sites in the heterostructure and thus imparting high stability to the hydrogen-evolution catalyst. The highly active and stable electrocatalyst enables an alkaline electrolyzer operating at 20more » mA cm–2 at a voltage lower than 1.5 V, lasting longer than 3 weeks without decay. Thus, the non-precious metal catalysts afford a high efficiency of about 15 % for light-driven water splitting using GaAs solar cells.« less

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

    SciTech Connect (OSTI)

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

    2014-04-21

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

  3. Four-year prospective study of the respiratory effects of volcanic ash from Mt. St. Helens

    SciTech Connect (OSTI)

    Buist, A.S.; Vollmer, W.M.; Johnson, L.R.; Bernstein, R.S.; McCamant, L.E.

    1986-04-01

    This report describes the 4-yr follow-up of 712 loggers exposed over an extended period to varying levels of fresh volcanic ash from the 1980 eruptions of Mt. St. Helens. Concerns related to the irritant effect the ash might have on the airways and also to its fibrogenic potential if exposures were intense and continued over many years. Our subjects were divided into 3 groups: high, low, and no exposure. Baseline testing was begun in June 1980, 1 month after the major eruption, and follow-up testing continued on an annual basis through 1984; 88% of the loggers have been tested at least 3 times. Analysis of lung function data showed that a significant, exposure-related decline in FEV1 occurred during the first year after the eruption. The decline was short-lived, however, and by 1984 the differences between exposure groups were no longer significant. Self-reported symptoms of cough, phlegm, and wheeze showed a similar pattern. No ash-related changes were seen in chest roentgenograms taken in 1980 and in 1984. Our findings are consistent with the hypothesis that the inhaled ash caused mucus hypersecretion and/or airway inflammation that reversed when the exposure levels decreased. The ash levels to which the loggers were exposed were low compared with permissible occupational levels for nuisance dusts, but generally higher than the total suspended particulate levels permissible in ambient air.

  4. CO2 flood tests on whole core samples of the Mt. Simon sandstone, Illinois Basin

    SciTech Connect (OSTI)

    O'Connor, William K.; Rush, Gilbert E.

    2005-09-01

    Geological sequestration of CO2, whether by enhanced oil recovery (EOR), coal-bed methane (CBM) recovery, or saline aquifer injection is a promising near-term sequestration methodology. While tremendous experience exists for EOR, and CBM recovery has been demonstrated in existing fields, saline aquifer injection studies have only recently been initiated. Studies evaluating the availability of saline aquifers suitable for CO2 injection show great potential, however, the long-term fate of the CO2 injected into these ancient aqueous systems is still uncertain. For the subject study, a series of laboratory-scale CO2 flood tests were conducted on whole core samples of the Mt. Simon sandstone from the Illinois Basin. By conducting these tests on whole core samples rather than crushed core, an evaluation of the impact of the CO2 flood on the rock mechanics properties as well as the geochemistry of the core and brine solution has been possible. This empirical data could provide a valuable resource for the validation of reservoir models under development for these engineered CO2 systems.

  5. Applications of stable isotopes in hydrological studies of Mt. Apo geothermal field, Philippines

    SciTech Connect (OSTI)

    Salonga, N.D.; Aragon, G.M.; Nogara, J.B.; Sambrano, B.G.

    1996-12-31

    The local precipitation in Mt. Apo is depleted of heavy isotopes owing to high elevation and landward location of the field. Rainwaters infiltrate the shallow grounds, circulate in short distances with almost no interaction with the host bed rocks, and effuse in the surface as cold springs. Lakes and rivers are affected by surface evaporation while the acid SO{sub 4} springs are affected by both evaporation and steam-heating. Only the neutral-pH Cl springs have the signature of the deep thermal fluids. The parent fluids of the deep thermal brine contain Cl of 4,800 to 5,000 mg/kg, {delta}{sup 18}O of -4.62 to -4.13 {per_thousand} and {delta}{sup 2}H of -60.0 to -57.8 {per_thousand}. Inside the Sandawa Collapse, boiling of the parent fluids resulted in a two-phase reservoir with lighter isotope contents. The thermal fluids laterally flow towards the west where they are affected by cooling and mixing of cold waters. Deep water recharge has {delta}{sup 18}O of -10.00 {per_thousand} and {delta}{sup 2}H = -61.20 {per_thousand} which come from the upper slopes of Sandawa Collapse (1580-1700 mASL).

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

    SciTech Connect (OSTI)

    Iancso, Georgeta Iliescu, Elena Iancu, Rodica

    2013-12-16

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

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

    DOE Patents [OSTI]

    Pereverzev, Sergey

    2016-06-14

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

  8. Preliminary study on mercury uptake by Rosmarinus officinalis L. (Rosemary) in a mining area (Mt. Amiata, Italy)

    SciTech Connect (OSTI)

    Barghigiani, C.; Ristori, T.

    1995-04-01

    Among the different plants analyzed to assess environmental mercury contamination of mining areas, lichens are those most studied, followed by brooms together with pine, which was also used in other areas, and spruce. Other species, both naturally occurring and cultivated, have also been studied. This work reports on the results of mercury uptake and accumulation in rosemary in relation to metal concentrations in both air and soil. R. officinalis is a widespread endemic Mediterranean evergreen shrub, which in Italy grows naturally and is also cultivated as a culinary herb. This research was carried out in Tuscany (Italy), in the Mt. Amiata area, which is characterized by the presence of cinnabar (HgS) deposits and has been used for mercury extraction and smelting from Etruscan times until 1980, and in the country near the town of Pisa, 140 km away from Mt. Amiata. 16 refs., 3 figs., 1 tab.

  9. Epitaxial growth of iridate pyrochlore Nd2Ir2O7 films

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

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

    2016-02-29

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

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

    SciTech Connect (OSTI)

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

    1995-01-01

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

  11. Uranium hydrogeochemical and stream-sediment reconnaissance of the Mt. Michelson NTMS quadrangle, Alaska

    SciTech Connect (OSTI)

    Zinkl, R.J.; Shettel, D.L. Jr.; Langfeldt, S.L.; Hardy, L.C.; D'Andrea, R.F. Jr.

    1982-04-01

    This report presents results of a Hydrogeochemical and Stream Sediment Reconnaissance (HSSR) of the Mt. Michelson NTMS quadrangle, Alaska. In addition to this abbreviated data release, more complete data are available to the public in machine-readable form. These machine-readable data, as well as quarterly or semiannual program progress reports containing further information on the HSSR program in general, or on the Los Alamos National Laboratory (LANL) portion of the program in particular, are available from DOE's Technical Library at its Grand Junction Area Office. Presented in this data release are location data, field analyses, and laboratory analyses of several different sample media. For the sake of brevity, many field site observations have not been included in this volume; these data are, however, available on the magnetic tape. Appendices A and B describe the sample media and summarize the analytical results for each medium. The data have been subdivided by one of the Los Alamos National Laboratory sorting programs of Zinkl and others (1981a) into groups of stream-sediment and lake-sediment samples. For each group which contains a sufficient number of observations, statistical tables, tables of raw data, and 1:1,000,000 scale maps of pertinent elements have been included in this report. Also included are maps showing results of multivariate statistical analyses. Information on the field and analytical procedures used by the Los Alamos National Laboratory during sample collection and analysis may be found in any HSSR data release prepared by the Laboratory and will not be included in this report.

  12. Dark Matter Particle Spectroscopy at the LHC: Generalizing M(T2) to Asymmetric Event Topologies

    SciTech Connect (OSTI)

    Konar, Partha; Kong, Kyoungchul; Matchev, Konstantin T.; Park, Myeonghun; /Florida U.

    2012-04-03

    We consider SUSY-like missing energy events at hadron colliders and critically examine the common assumption that the missing energy is the result of two identical missing particles. In order to experimentally test this hypothesis, we generalize the subsystem M{sub T2} variable to the case of asymmetric event topologies, where the two SUSY decay chains terminate in different 'children' particles. In this more general approach, the endpoint M{sub T2(max)} of the M{sub T2} distribution now gives the mass {tilde M}p({tilde M}{sub c}{sup (a)}, {tilde M}{sub c}{sup (b)}) of the parent particles as a function of two input children masses {tilde M}{sub c}{sup (a)} and {tilde M}{sub c}{sup (b)}. We propose two methods for an independent determination of the individual children masses M{sub c}{sup (a)} and M{sub c}{sup (b)}. First, in the presence of upstream transverse momentum PUTM the corresponding function {tilde M}p({tilde M}{sub c}{sup (a)}, {tilde M}{sub c}{sup (b)}, P{sub UTM}) is independent of P{sub UTM} at precisely the right values of the children masses. Second, the previously discussed MT2 'kink' is now generalized to a 'ridge' on the 2-dimensional surface {tilde M}p({tilde M}{sub c}{sup (a)}, {tilde M}{sub c}{sup (b)}). As we show in several examples, quite often there is a special point along that ridge which marks the true values of the children masses. Our results allow collider experiments to probe a multi-component dark matter sector directly and without any theoretical prejudice.

  13. Influence of Ni on Martensitic Phase Transformations in NiTi Shape Memory Alloys

    SciTech Connect (OSTI)

    Frenzel, J.; George, Easo P; Dlouhy, A.; Somsen, Ch.; Wagner, M. F.-X; Eggeler, G.

    2010-01-01

    High-precision data on phase transformation temperatures in NiTi, including numerical expressions for the effect of Ni on M{sub S}, M{sub F}, A{sub S}, A{sub F} and T{sub 0}, are obtained, and the reasons for the large experimental scatter observed in previous studies are discussed. Clear experimental evidence is provided confirming the predictions of Tang et al. 1999 regarding deviations from a linear relation between the thermodynamic equilibrium temperature and Ni concentration. In addition to affecting the phase transition temperatures, increasing Ni contents are found to decrease the width of thermal hysteresis and the heat of transformation. These findings are rationalized on the basis of the crystallographic data of Prokoshkin et al. 2004 and the theory of Ball and James. The results show that it is important to document carefully the details of the arc-melting procedure used to make shape memory alloys and that, if the effects of processing are properly accounted for, precise values for the Ni concentration of the NiTi matrix can be obtained.

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

    SciTech Connect (OSTI)

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

    2014-07-20

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

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

    SciTech Connect (OSTI)

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

    2014-11-14

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

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

    Office of Scientific and Technical Information (OSTI)

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

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

    Office of Scientific and Technical Information (OSTI)

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

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

    Office of Scientific and Technical Information (OSTI)

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

  19. Ab initio molecular dynamics investigations of low-energy recoil events in Ni and NiCo

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

    Liu, Bin; Yuan, Fenglin; Jin, Ke; Zhang, Yanwen; Weber, William J.

    2015-10-06

    Low-energy recoil events in pure Ni and the equiatomic NiCo alloy are studied using ab initio molecular dynamics simulations. We found that the threshold displacement energies are strongly dependent on orientation and weakly dependent on composition. The minimum threshold displacement energies are along the [1 1 0] direction in both pure Ni and the NiCo alloy. Compared to pure Ni, the threshold displacement energies increase slightly in the NiCo alloy due to stronger bonds in the alloy, irrespective of the element type of the PKA. A single Ni interstitial occupying the center of a tetrahedron formed by four Ni atomsmore » and a <1 0 0> split interstitial is produced in pure Ni by the recoils, while only the <1 0 0> split interstitial is formed in the NiCo alloy. Compared to the replacement sequences in pure Ni, anti-site defect sequences are observed in the alloy, which have high efficiency for both producing defects and transporting energy outside of the cascade core. These results provide insights into energy transfer processes occurring in equiatomic alloys under irradiation.« less

  20. Ni{sub 3}Al technology transfer

    SciTech Connect (OSTI)

    Sikka, V.K.; Viswanathan, S.; Santella, M.L.

    1997-04-01

    Ductile Ni{sub 3}Al and Ni{sub 3}Al-based alloys have been identified for a range of applications. These applications require the use of material in a variety of product forms such as sheet, plate, bar, wire, tubing, piping, and castings. Although significant progress has been made in the melting, casting, and near-net-shape forming of nickel aluminides, some issues still remain. These include the need for: (1) high-strength castable composition for many applications that have been identified; (2) castability (mold type, fluidity, hot-shortness, porosity, etc.); (3) weld reparability of castings; and (4) workability of cast or powder metallurgy product to sheet, bar, and wire. The four issues listed above can be {open_quotes}show stoppers{close_quotes} for the commercial application of nickel aluminides. This report describes the work completed to address some of these issues during FY 1996.

  1. SF 6432-NI (02-22-10)

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

    3-08-10) SECTION II STANDARD TERMS AND CONDITIONS FOR FIXED PRICE CONTRACTS WITH THE NEWLY INDEPENDENT STATES OF THE FORMER SOVIET UNION INDEX OF CLAUSES THE FOLLOWING CLAUSES APPLY TO REQUESTS FOR QUOTATION AND CONTRACTS AS INDICATED UNLESS SPECIFICALLY DELETED, OR EXCEPT TO THE EXTENT THEY ARE SPECIFICALLY SUPPLEMENTED OR AMENDED IN WRITING IN SECTION I. NI01 - ACCEPTANCE OF TERMS AND CONDITIONS Contractor, by signing this Agreement, beginning performance, and/or delivering Items or services

  2. SF 6432-NI (04-95)

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

    6-08) SECTION II STANDARD TERMS AND CONDITIONS FOR FIXED PRICE CONTRACTS WITH NEW INDEPENDET STATES OF THE FORMER SOVIET UNION INDEX OF CLAUSES THE FOLLOWING CLAUSES APPLY TO REQUESTS FOR QUOTATION AND CONTRACTS AS INDICATED UNLESS SPECIFICALLY DELETED, OR EXCEPT TO THE EXTENT THEY AERE SPECIFICALLY SUPPLEMENTED OR AMENDED IN WRITING IN THE SIGNATURE PAGE OR SECTION I. NI01 - ACCEPTANCE OF TERMS AND CONDITIONS Contractor, by signing this Agreement, beginning performance, and/or delivering Items

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

    Broader source: Energy.gov [DOE]

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

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

    SciTech Connect (OSTI)

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

    2011-03-15

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

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

    SciTech Connect (OSTI)

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

    2014-08-21

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

  7. Local structure study of Fe dopants in Ni-deficit Ni3Al alloys

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

    V. N. Ivanovski; Umicevic, A.; Belosevic-Cavor, J.; Lei, Hechang; Li, Lijun; Cekic, B.; Koteski, V.; Petrovic, C.

    2015-08-24

    We found that the local electronic and magnetic structure, hyperfine interactions, and phase composition of polycrystalline Ni–deficient Ni 3-x FexAl (x = 0.18 and 0.36) were investigated by means of 57 Fe Mössbauer spectroscopy. The samples were characterized by X–ray diffraction and magnetization measurements. The ab initio calculations performed with the projector augmented wave method and the calculations of the energies of iron point defects were done to elucidate the electronic structure and site preference of Fe doped Ni 3 Al. Moreover, the value of calculated electric field gradient tensor Vzz=1.6 1021Vm-2 matches well with the results of Mössbauer spectroscopymore » and indicates that the Fe atoms occupy Ni sites.« less

  8. 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.

  9. Geometric and Electronic Structures of the Ni(I) and Methyl-Ni(III)

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

    Intermediates of Methyl-Coenzyme M Reductase 9 Geometric and Electronic Structures of the Ni(I) and Methyl-Ni(III) Intermediates of Methyl-Coenzyme M Reductase Methyl-coenzyme M reductase (MCR) from methanogenic archaea catalyzes the terminal step in biological methane synthesis. Using coenzyme B (CoBSH) as the two-electron donor, MCR reduces methyl-coenzyme M (methyl-SCoM) to form methane and the heterodisulfide product, CoBS-SCoM. MCR contains an essential redox active nickel tetrapyrrolic

  10. Transmutation-induced embrittlement of V-Ti-Ni and V-Ni alloys in HFIR

    SciTech Connect (OSTI)

    Ohnuki, S.; Takahashi, H.; Garner, F.A.; Pawel, J.E.

    1996-04-01

    Vanadium, V-1Ni, V-10Ti and V-10Ti-1Ni (at %) were irradiated in HFIR to doses ranging from 18 to 30 dpa and temperatures between 300 and 600C. Since the irradiation was conducted in a highly thermalized neutron spectrum without shielding against thermal neutrons, significant levels of chromium (15-22%) were formed by transmutation. The addition of such large chromium levels strongly elevated the ductile to brittle transition temperature. At higher irradiation temperatures radiation-induced segregation of transmutant Cr and solute Ti at specimen surfaces leads to strong increases in the density of the alloy.

  11. XRD micro-XANES EMPA and SIMS investigation on phlogopite single crystals from Mt. Vulture (Italy)

    SciTech Connect (OSTI)

    F Scordari; M Dyar; E Schingaro; M Lacalamita; L Ottolini

    2011-12-31

    Selected phlogopite flakes from Mt. Vulture in southern Italy were studied using a combination of single-crystal techniques: electron microprobe analysis (EMPA), secondary ion mass spectrometry (SIMS), single-crystal X-ray diffraction (SCXRD), and micro-X-ray absorption near-edge spectroscopy (XANES). The latter technique was employed to analyze the structure of the Fe-K absorption edge over the region from 7080-8100 eV and to determine Fe{sup 3+}/{Sigma}Fe at a micrometer scale, albeit with large error bars due to known effects of orientation on pre-edge energy. The annite component, Fe/(Mg+Fe), of the samples studied ranged from 0.16 to 0.31, the Ti content from 0.11 to 0.27 atoms per formula unit (apfu) and the Ba content from 0.03 to 0.09 apfu. SIMS analysis showed H{sub 2}O (wt%) = 1.81-3.30, F (wt%) = 0.44-1.29, and Li{sub 2}O (wt%) = 0.001-0.027. The intra single-crystal chemical variability for major/minor elements (Mg, Fe, Al, Ba, Ti, and K) was found particularly significant for samples VUT191{_}11 and PG5{_}1, less significant for the other samples of the set. SIMS data relative to crystals VUT187{_}24, VUT191{_}10, VUT191{_}11, and VUT187{_}28 showed a noteworthy variation in the concentrations of some light elements (H, Li, and F) with coefficient of variation CV (as 1{sigma}%) up to {approx}18% for H{sub 2}O. The analyzed micas belong to the 1M polytype. Structure refinements using anisotropic displacement parameters were performed in space group C2/m and converged at 3.08 {<=} R {<=} 3.63, 3.32 {<=} R{sub w} {<=} 3.98%. Micro-XANES results yielded Fe{sup 3+}/{Sigma}Fe from 51-93%. Previous Moessbauer data from powdered samples suggested Fe{sup 3+}/{Sigma}Fe values ranging from 49-87%. However, the Fe{sup 3+} content determined by both techniques is sometimes remarkably different, in part because of the large errors ({+-}10-15%) presently associated with the micro-XANES technique and in part because the Fe{sup 3+} content of a single crystal may

  12. Ni{sub 0.5}Zn{sub 0.5}Fe{sub 2}O{sub 4} nanoparticles dispersed in a SiO{sub 2} matrix synthesized by sol-gel processing

    SciTech Connect (OSTI)

    Pozo Lopez, G.; Condo, A.M.; Instituto Balseiro, Universidad Nacional de Cuyo, Av. Bustillo 9500, 8400, San Carlos de Bariloche; Consejo Nacional de Investigaciones Cientificas y Tecnicas ; Urreta, S.E.; Silvetti, S.P.; Aguirre, M. del C.; Instituto de Fisica Enrique Gaviola - CONICET

    2012-12-15

    (Ni{sub 0.5}Zn{sub 0.5}Fe{sub 2}O{sub 4})x/(SiO{sub 2})(100 - x) (x = 5, 20 and 50 wt.%) nanocomposites are synthesized by a sol-gel method using tetraethylorthosilicate (TEOS) and metallic nitrates as precursors, and by further annealing the powders for 1 h at 1273 K. X-ray diffraction (XRD), transmission electron microscopy (TEM), room temperature vibrating sample magnetometry (VSM) and SQUID measurements are employed for structural, morphological and magnetic sample characterization. For all the concentrations analyzed, the powder nanocomposites actually consist of spinel NiZn ferrite nanoparticles, dispersed in an amorphous silica matrix. TEM studies reveal different particle size distributions and particle morphologies for the three ferrite contents. The 20 wt.%-NiZn ferrite samples consist of nearly spherical nanoparticles, of about 8 nm, mainly superparamagnetic, well-dispersed in the amorphous silica matrix, while the 5 wt.%-NiZn ferrite samples exhibit a bimodal particle size distribution (5 and 30 nm) of single-domain nanoparticles embedded in the silica. In the 50 wt.%-NiZn ferrite samples, two particle families are observed: small round superparamagnetic nanoparticles of about 8 nm embedded in the amorphous silica matrix and large, non-spherical, ferrimagnetic ones, forming agglomerates outside the matrix. In all the synthesized samples, thickness fringes are observed inside some of the ferrite nanoparticles in dark field images. This contrast is explained using the theory of electron diffraction in a weak beam dark field (WBDF) condition and considering spherical ferrite nanoparticles. A large range of tailored magnetic properties varying the fraction, dispersion and mean size of the ferrimagnetic NiZn ferrite particles is obtained. Room temperature saturation magnetization values are found in the range 3.0-30.4 Am{sup 2}/kg for the different concentration samples. Coercivity values, between 1.9 and 7.6 mT, are more than 50% higher than those measured

  13. Microstructures in rapidly solidified Ni-Mo alloys

    SciTech Connect (OSTI)

    Jayaraman, N.; Tewari, S.N.; Hemker, K.J.; Glasgow, T.K.

    1985-01-01

    Ni-Mo alloys of compositions ranging from pure Ni to Ni-40 at % Mo were rapidly solidified by chill block melt spinning in vacuum and were examined by optical metallography, x-ray diffraction and transmission electron microscopy. Rapid solidification resulted in an extension of molybdenum solubility in nickel from 28 to 37.5 at %. A number of different phases and microstructures were seen at different depths (solidification conditions) from the quenched surface of the melt spun ribbons.

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

    SciTech Connect (OSTI)

    Reda, I.

    2015-03-01

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

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

    SciTech Connect (OSTI)

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

    2015-03-01

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

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

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

    Yu, Peiqiang

    2006-01-01

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

  17. Sources of stress gradients in electrodeposited Ni MEMS. (Conference...

    Office of Scientific and Technical Information (OSTI)

    Title: Sources of stress gradients in electrodeposited Ni MEMS. The ability of future integrated metal-semiconductor micro-systems such as RF MEMS to perform highly complex ...

  18. Numerical Simulation of Ni Grain Growth in a Thermal Gradient

    Office of Scientific and Technical Information (OSTI)

    665C Numerical Simulation of Ni Grain Growth in a Thermal Gradient Sandia National Laboratories John A. Mitchell and Veena Tikare Sandia National Laboratories, Albuquerque New ...

  19. Competition between Order and Phase Separation in Au-Ni

    SciTech Connect (OSTI)

    Reichert, H.; Schoeps, A.; Ramsteiner, I.B.; Bugaev, V.N.; Shchyglo, O.; Udyansky, A.; Dosch, H.; Asta, M.; Drautz, R.; Honkimaeki, V.

    2005-12-02

    We have measured and theoretically analyzed the diffuse scattering in the binary alloy system Au-Ni, which has been proposed as a testing ground for theories of alloy phase stability. We found strong evidence that in the alloys Au{sub 3}Ni and Au{sub 3}Ni{sub 2}, fluctuations of both ordering- and clustering-type are competing with each other. Our results resolve a long-standing controversy on the balance of relaxation and mixing energies in this alloy system and explain recent findings of ordering in thin Au-Ni films.

  20. Searches for supersymmetry using the MT2 variable in hadronic events produced in pp collisions at 8 TeV

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

    Khachatryan, V.

    2015-05-15

    Searches for supersymmetry (SUSY) are performed using a sample of hadronic events produced in 8 TeV pp collisions at the CERN LHC. The searches are based on the MT2 variable, which is a measure of the transverse momentum imbalance in an event. The data were collected with the CMS detector and correspond to an integrated luminosity of 19.5 fb?. Two related searches are performed. The first is an inclusive search based on signal regions defined by the value of the MT2 variable, the hadronic energy in the event, the jet multiplicity, and the number of jets identified as originating frommorebottom quarks. The second is a search for a mass peak corresponding to a Higgs boson decaying to a bottom quark-antiquark pair, where the Higgs boson is produced as a decay product of a SUSY particle. For both searches, the principal backgrounds are evaluated with data control samples. No significant excess over the expected number of background events is observed, and exclusion limits on various SUSY models are derived.less

  1. LOCA simulation in the national research universal reactor program: postirradiation examination results for the third materials experiment (MT-3)

    SciTech Connect (OSTI)

    Rausch, W.N.

    1984-04-01

    A series of in-reactor experiments were conducted using full-length 32-rod pressurized water reactor (PWR) fuel bundles as part of the Loss-of-Coolant Accident (LOCA) Simulation Program. The third materials experiment (MT-3) was the sixth in the series of thermal-hydraulic and materials deformation/rutpure experiments conducted in the National Research Universal (NRU) reactor, Chalk River, Ontario, Canada. The main objective of the experiment was to evaluate ballooning and rupture during active two-phase cooling in the temperature range from 1400 to 1500/sup 0/F (1030 to 1090 K). The 12 test rods in the center of the 32-rod bundle were initially pressurized to 550 psi (3.8 MPa) to insure rupture in the correct temperature range. All 12 of the rods ruptured, with an average peak bundle strain of approx. 55%. The UKAEA also funded destructive postirradiation examination (PIE) of several of the ruptured rods from the MT-3 experiment. This report describes the work performed and presents the PIE results. Information obtained during the PIE included cladding thickness measurements metallography, and particle size analysis of the cracked and broken fuel pellets.

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

    SciTech Connect (OSTI)

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

    1991-08-01

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

  3. Enhanced photocatalytic efficiency in zirconia buffered n-NiO/p-NiO single crystalline heterostructures by nanosecond laser treatment

    SciTech Connect (OSTI)

    Molaei, R.; Bayati, M. R.; Alipour, H. M.; Nori, S.; Narayan, J.

    2013-06-21

    We report the formation of NiO based single crystalline p-n junctions with enhanced photocatalytic activity induced by pulsed laser irradiation. The NiO epilayers were grown on Si(001) substrates buffered with cubic yttria-stabilized zirconia (c-YSZ) by using pulsed laser deposition. The NiO/c-YSZ/Si heterostructures were subsequently laser treated by 5 pulses of KrF excimer laser (pulse duration = 25 Multiplication-Sign 10{sup -9} s) at lower energies. Microstructural studies, conducted by X-ray diffraction ({theta}-2{theta} and {phi} techniques) and high resolution transmission electron microscope, showed a cube-on-cube epitaxial relationship at the c-YSZ/Si interface; the epitaxial relationship across the NiO/c-YSZ interface was established as NiO<111 > Double-Vertical-Line Double-Vertical-Line c-YSZ<001> and in-plane NiO<110> Double-Vertical-Line Double-Vertical-Line c-YSZ<100>. Electron microscopy studies showed that the interface between the laser annealed and the pristine region as well as the NiO/c-YSZ interface was atomically sharp and crystallographically continuous. The formation of point defects, namely oxygen vacancies and NiO, due to the coupling of the laser photons with the NiO epilayers was confirmed by XPS. The p-type electrical characteristics of the pristine NiO epilayers turned to an n-type behavior and the electrical conductivity was increased by one order of magnitude after laser treatment. Photocatalytic activity of the pristine (p-NiO/c-YSZ/Si) and the laser-annealed (n-NiO/p-NiO/c-YSZ/Si) heterostructures were assessed by measuring the decomposition rate of 4-chlorophenol under UV light. The photocatalytic reaction rate constants were determined to be 0.0059 and 0.0092 min{sup -1} for the as-deposited and the laser-treated samples, respectively. The enhanced photocatalytic efficiency was attributed to the suppressed charge carrier recombination in the NiO based p-n junctions and higher electrical conductivity. Besides, the oxygen vacancies

  4. Energies of Electronic States of Ni (II) Ion in NiO-Al2O3 Catalyst Prepared by Impregnation

    SciTech Connect (OSTI)

    Obadovic, D. Z.; Kiurski, J.; Marinkovic-Neducin, R. P.

    2007-04-23

    The behavior of NiO-Al2O3 catalysts is strongly dependent on the preparation method, as well as on pretreatment conditions. In the present work we investigated the influences of Ni(II) ion on NiO-Al2O3 catalysts properties due to the preparation by impregnation method. Based on experimental diffuse reflectance spectroscopy (DRS) data of electronic d-d transitions of Ni (II) promoter ion the energies of electronic states in spinel-like structure were calculated, and the most probable scheme of molecular orbital have been proposed.

  5. Tunability of exchange bias in Ni@NiO core-shell nanoparticles obtained by sequential layer deposition

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

    D'Addato, Sergio; Spadaro, Maria Chiara; Luches, Paola; Valeri, Sergio; Grillo, Vincenzo; Rotunno, Enzo; Roldan Gutierrez, Manuel A.; Pennycook, Stephen J.; Ferretti, Anna Maria; Capetti, Elena; et al

    2015-01-01

    Films of magnetic Ni@NiO core–shell nanoparticles (NPs, core diameter d ≅ 12 nm, nominal shell thickness variable between 0 and 6.5 nm) obtained with sequential layer deposition were investigated, to gain insight into the relationships between shell thickness/morphology, core-shell interface, and magnetic properties. Different values of NiO shell thickness ts could be obtained while keeping the Ni core size fixed, at variance with conventional oxidation procedures where the oxide shell is grown at the expense of the core. Chemical composition, morphology of the as-produced samples and structural features of the Ni/NiO interface were investigated with x-ray photoelectron spectroscopy and microscopymore » (scanning electron microscopy, transmission electron microscopy) techniques, and related with results from magnetic measurements obtained with a superconducting quantum interference device. The effect of the shell thickness on the magnetic properties could be studied. The exchange bias (EB) field Hbias is small and almost constant for ts up to 1.6 nm; then it rapidly grows, with no sign of saturation. This behavior is clearly related to the morphology of the top NiO layer, and is mostly due to the thickness dependence of the NiO anisotropy constant. The ability to tune the EB effect by varying the thickness of the last NiO layer represents a step towards the rational design and synthesis of core–shell NPs with desired magnetic properties.« less

  6. Magnetic and low temperature phonon studies of CoCr{sub 2}O{sub 4} powders doped with Fe(III) and Ni(II) ions

    SciTech Connect (OSTI)

    Ptak, M. Mączka, M.; Pikul, A.; Tomaszewski, P.E.; Hanuza, J.

    2014-04-01

    Extensive temperature-dependent phonon studies and low-temperature magnetic measurements of CoCr{sub 2−x}Fe{sub x}O{sub 4} (for x=0.5, 1 and 2) and Co{sub 0.9}Ni{sub 0.1}Cr{sub 2}O{sub 4} polycrystalline powders are presented. The main aim of these studies was to obtain information on phonon and structural properties of these compounds as well as strength of spin–phonon coupling in the magnetically ordered phases. IR and Raman spectra show that doping of CoCr{sub 2}O{sub 4} with Fe(III) ions leads to broadening of bands and appearance of new bands due to the formation of inverted spinel structure. In contrast to this behavior, doping with 10 mol% of Ni(II) ions leads to weak increase of band width only. Magnetization measured as a function of temperature and external magnetic field showed that magnetic properties of Co{sub 0.9}Ni{sub 0.1}Cr{sub 2}O{sub 4} sample are similar to those reported for pure CoCr{sub 2}O{sub 4}, i.e., partial substitution of Ni(II) for Co(II) leads to slight shift of the ferrimagnetic phase transition at T{sub C} and spiral spin order transition at T{sub S} towards lower values. The change of crystallization preference induced by incorporation of increasing concentration of Fe(III) ions in the spinel lattice causes significant increase of T{sub C} and decrease of T{sub S}. The latter transition disappears completely for higher concentrations of Fe(III). The performed temperature-dependent IR studies revealed interesting anomalous behavior of phonons below T{sub C} for CoCr{sub 1.5}Fe{sub 0.5}O{sub 4} and Co{sub 0.9}Ni{sub 0.1}Cr{sub 2}O{sub 4}, which was attributed to spin–phonon coupling. - Graphical abstract: Visualization of normal spinel-type AB{sub 2}O{sub 4} structure, where blue octahedrons denote BO{sub 6} and red tetrahedrons AO{sub 4} units as well as IR and Raman spectra of Co{sub 0.9}Ni{sub 0.1}Cr{sub 2}O{sub 4} powder. - Highlights: • T{sub C} (T{sub S}) increases (decreases) with increasing Fe(III) concentration.

  7. New insulating antiferromagnetic quaternary iridates MLa10Ir4O24...

    Office of Scientific and Technical Information (OSTI)

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

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

    Office of Scientific and Technical Information (OSTI)

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

  9. IR Imaging Using Arrays of SiO2 Micromechanical Detectors

    SciTech Connect (OSTI)

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

    2012-01-01

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

  10. Lanthanide Al-Ni base Ericsson cycle magnetic refrigerants

    DOE Patents [OSTI]

    Gschneidner, Jr., Karl A.; Takeya, Hiroyuki

    1995-10-31

    A magnetic refrigerant for a magnetic refrigerator using the Ericsson thermodynamic cycle comprises DyAlNi and (Gd.sub.0.54 Er.sub.0.46)AlNi alloys having a relatively constant .DELTA.Tmc over a wide temperature range.

  11. Lanthanide Al-Ni base Ericsson cycle magnetic refrigerants

    DOE Patents [OSTI]

    Gschneidner, K.A. Jr.; Takeya, Hiroyuki

    1995-10-31

    A magnetic refrigerant for a magnetic refrigerator using the Ericsson thermodynamic cycle comprises DyAlNi and (Gd{sub 0.54}Er{sub 0.46})AlNi alloys having a relatively constant {Delta}Tmc over a wide temperature range. 16 figs.

  12. Synthesis and electrochemical properties of NiO nanospindles

    SciTech Connect (OSTI)

    Zhou, Hai; Lv, Baoliang; Xu, Yao; Wu, Dong

    2014-02-01

    Graphical abstract: NiO nanospindles with a different electrochemical activity as compared to those previous reports were synthesized via an agglomeration–dissolution–recrystallization growth process without the addition of any surfactant. - Highlights: • NiO nanospindles were synthesized without the addition of any surfactant. • The agglomeration–dissolution–recrystallization growth process was used to explain the precursors’ formation process of the spindle-like NiO. • As-obtained spindle-like NiO showed a different electrochemical activity as compared to those previous reports. - Abstract: NiO nanospindles were successfully synthesized via a hydrothermal and post-treatment method. The as-synthesized nanospindles were about several hundred nanometers in width and about one micrometer in length. X-ray diffraction (XRD) analysis revealed that the spindle-like structure was cubic NiO phase crystalline. Scanning electron microscopy (SEM) and high-resolution transmission electron microscopy (HRTEM) analysis indicated that these NiO nanospindles were of single crystal nature. On the basis of time-dependent experiments, a possible agglomeration–dissolution–recrystallization growth process was proposed to explain the formation process of the spindle-like precursors. The cyclic voltammetry (CV) measurement showed that the as-prepared spindle-like NiO exhibited a pseudo-capacitance behavior.

  13. 5 Hz Catalytic Emissions FT-IR Monitoring during Lean-Rich Engine Cycles:

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

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

  14. Isotopic fractionation associated with [NiFe]- and [FeFe]-hydrogenases...

    Office of Scientific and Technical Information (OSTI)

    Isotopic fractionation associated with NiFe- and FeFe-hydrogenases Citation Details In-Document Search Title: Isotopic fractionation associated with NiFe- and ...

  15. Ni/Pd core/shell nanoparticles supported on graphene as a highly...

    Office of Scientific and Technical Information (OSTI)

    NiPd coreshell nanoparticles supported on graphene as a highly active and reusable ... Citation Details In-Document Search Title: NiPd coreshell nanoparticles supported on ...

  16. SF6432-NI (02-01-12) Fixed Price Former Soviet Union

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

    Retrieve latest version electronically. SF 6432-NI (020112) SECTION II STANDARD TERMS ... 150,000 Control : SF 6432-NI Title: Standard Terms & Conditions for Fixed Price ...

  17. Magnetic interactions in NiO at ultrahigh pressure

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

    Potapkin, Vasily; Dubrovinsky, Leonid; Sergueev, I.; Ekholm, M.; Kantor, Innokenty; Bessas, D.; Bykova, E.; Prakapenka, V.; Hermann, Raphael P.; Rueffer, Rudolf; et al

    2016-05-24

    Here, magnetic properties of NiO have been studied in the multimegabar pressure range by nuclear forward scattering of synchrotron radiation using the 67.4 keV M ssbauer transition of 61Ni. The observed magnetic hyperfine splitting confirms the antiferromagnetic state of NiO up to 280 GPa, the highest pressure where magnetism has been observed so far, in any material. Remarkably, the hyperfine field increases from 8.47 T at ambient pressure to ~24 T at the highest pressure, ruling out the possibility of a magnetic collapse. A joint x-ray diffraction and extended x-ray-absorption fine structure investigation reveals that NiO remains in a distortedmore » sodium chloride structure in the entire studied pressure range. Ab initio calculations support the experimental observations, and further indicate a complete absence of Mott transition in NiO up to at least 280 GPa.« less

  18. Photosensitivity of the Ni-n-GaAs Schottky barriers

    SciTech Connect (OSTI)

    Melebaev, D.; Melebaeva, G. D.; Rud', V. Yu. Rud', Yu. V.

    2009-01-15

    The method of chemical deposition is used to form the structures with the Ni-n-GaAs Schottky barrier. The thickness of the Ni layers with a specular outer surface was varied within the range of 150-220 A. It was experimentally observed for the first time that photosensitivity of the obtained barriers with the semitransparent Ni layers illuminated is practically absent in the Fowler region of the spectrum at hv = 0.9-1.5 eV. This circumstance is related mainly to the fact that, in this case, the Ni layer side of the structure was illuminated, and radiation with the photon energy hv < 1.3 eV was effectively reflected from the nickel surface. It is established that the developed Ni-n-GaAs structures can be used as high-efficiency wide-band photoconverters of both visible and ultraviolet radiation.

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

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

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

    2015-07-01

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

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

    SciTech Connect (OSTI)

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

    2014-12-20

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

  1. Effects of Cr and Ni on Interdiffusion and Reaction between U and Fe-Cr-Ni Alloys

    SciTech Connect (OSTI)

    K. Huang; Y. Park; L. Zhou; K.R. Coffey; Y.H. Sohn; B.H. Sencer; J. R. Kennedy

    2014-08-01

    Metallic U-alloy fuel cladded in steel has been examined for high temperature fast reactor technology wherein the fuel cladding chemical interaction is a challenge that requires a fundamental and quantitative understanding. In order to study the fundamental diffusional interactions between U with Fe and the alloying effect of Cr and Ni, solid-to-solid diffusion couples were assembled between pure U and Fe, Fe–15 wt.%Cr or Fe–15 wt.%Cr–15 wt.%Ni alloy, and annealed at high temperature ranging from 580 to 700 °C. The microstructures and concentration profiles that developed from the diffusion anneal were examined by scanning electron microscopy, and X-ray energy dispersive spectroscopy (XEDS), respectively. Thick U6Fe and thin UFe2 phases were observed to develop with solubilities: up to 2.5 at.% Ni in U6(Fe,Ni), up to 20 at.%Cr in U(Fe, Cr)2, and up to 7 at.%Cr and 14 at.% Ni in U(Fe, Cr, Ni)2. The interdiffusion and reactions in the U vs. Fe and U vs. Fe–Cr–Ni exhibited a similar temperature dependence, while the U vs. Fe–Cr diffusion couples, without the presence of Ni, yielded greater activation energy for the growth of intermetallic phases – lower growth rate at lower temperature but higher growth rate at higher temperature.

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

    SciTech Connect (OSTI)

    Zhang, X. Zou, L. K.

    2014-12-29

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

  3. Enhanced Dry Reforming of Methane on Ni and Ni-Pt Catalysts Synthesized by Atomic Layer Deposition

    SciTech Connect (OSTI)

    Gould, Troy D.; Montemore, Matthew M.; Lubers, Alia M.; Ellis, Lucas D.; Weimer, Alan; Falconer, John L.; Medlin, James W.

    2015-02-25

    Atomic layer deposition (ALD) was used to deposit Ni and Pt on alumina supports to form monometallic and bimetallic catalysts with initial particle sizes of 12.4 nm. The ALD catalysts were more active (per mass of metal) than catalysts prepared by incipient wetness (IW) for dry reforming of methane (DRM), and they did not form carbon whiskers during reaction due to their sufficiently small size. Catalysts modified by Pt ALD had higher rates of reaction per mass of metal and inhibited coking, whereas NiPt catalysts synthesized by IW still formed carbon whiskers. Temperature-programmed reduction of Ni catalysts modified by Pt ALD indicated the presence of bimetallic interaction. Density functional theory calculations suggested that under reaction conditions, the NiPt surfaces form Ni-terminated surfaces that are associated with higher DRM rates (due to their C and O adsorption energies, as well as the CO formation and CH4 dissociation energies).

  4. The first principle study of Ni{sub 2}ScGa and Ni{sub 2}TiGa

    SciTech Connect (OSTI)

    zduran, Mustafa; Turgut, Kemal; Arikan, Nihat; ?yigr, Ahmet; Candan, Abdullah

    2014-10-06

    We computed the electronic structure, elastic moduli, vibrational properties, and Ni{sub 2}TiGa and Ni{sub 2}ScGa alloys in the cubic L2{sub 1} structure. The obtained equilibrium lattice constants of these alloys are in good agreement with available data. In cubic systems, there are three independent elastic constants, namely C{sub 11}, C{sub 12} and C{sub 44}. We calculated elastic constants in L2{sub 1} structure for Ni{sub 2}TiGa and Ni{sub 2}ScGa using the energy-strain method. The electronic band structure, total and partial density of states for these alloys were investigated within density functional theory using the plane-wave pseudopotential method implemented in Quantum-Espresso program package. From band structure, total and projected density of states, we observed metallic characters of these compounds. The electronic calculation indicate that the predominant contributions of the density of states at Fermi level come from the Ni 3d states and Sc 3d states for Ni{sub 2}TiGa, Ni 3d states and Sc 3d states for Ni{sub 2}ScGa. The computed density of states at Fermi energy are 2.22 states/eV Cell for Ni{sub 2}TiGa, 0.76 states/eV Cell for Ni{sub 2}ScGa. The vibrational properties were obtained using a linear response in the framework at the density functional perturbation theory. For the alloys, the results show that the L2{sub 1} phase is unstable since the phonon calculations have imagine modes.

  5. Can Ni phosphides become viable hydroprocessing catalysts?

    SciTech Connect (OSTI)

    Soled, S.; Miseo, S.; Baumgartner, J.; Guzman, J.; Bolin, T.; Meyer, R.

    2015-05-15

    We prepared higher surface area nickel phosphides than are normally found by reducing nickel phosphate. To do this, we hydrothermally synthesized Ni hydroxy phosphite precursors with low levels of molybdenum substitution. The molybdenum substitution increases the surface area of these precursors. During pretreatment in a sulfiding atmosphere (such as H2S/H2) dispersed islands of MoS2 segregate from the precursor and provide a pathway for H2 dissociation that allows reduction of the phosphite precursor to nickel phosphide at substantially lower temperatures than in the absence of MoS2. The results reported here show that to create nickel phosphides with comparable activity to conventional supported sulfide catalysts, one would have to synthesize the phosphide with surface areas exceeding 400 m2/g (i.e. with nanoparticles less than 30 Å in lateral dimension).

  6. Ni/metal hydride secondary element

    DOE Patents [OSTI]

    Bauerlein, Peter

    2005-04-19

    A Ni/metal hydride secondary element having a positive nickel hydroxide electrode, a negative electrode having a hydrogen storage alloy, and an alkaline electrolyte, the positive electrode, provided with a three-dimensional metallic conductive structure, also contains an aluminum compound which is soluble in the electrolyte, in addition to nickel hydroxide and cobalt oxide. The aluminum compound is aluminum hydroxide and/or aluminum oxide, and the mass of the aluminum compound which is present in the positive bulk material mixture is 0.1 to 2% by weight relative to the mass of the nickel hydroxide which is present. In combination with aluminum hydroxide or aluminum oxide, the positive electrode further contains lanthanoid oxidic compounds Y.sub.2 O.sub.3, La.sub.2 O.sub.3 and Ca(OH).sub.2, as well as mixtures of these compounds.

  7. Phase equilibria, formation, crystal and electronic structure of ternary compounds in Ti-Ni-Sn and Ti-Ni-Sb ternary systems

    SciTech Connect (OSTI)

    Romaka, V.V.; Rogl, P.; Romaka, L.; Stadnyk, Yu.; Melnychenko, N.; Grytsiv, A.; Falmbigl, M.; Skryabina, N.

    2013-01-15

    The phase equilibria of the Ti-Ni-Sn and Ti-Ni-Sb ternary systems have been studied in the whole concentration range by means of X-ray and EPM analyses at 1073 K and 873 K, respectively. Four ternary intermetallic compounds TiNiSn (MgAgAs-type), TiNi{sub 2-x}Sn (MnCu{sub 2}Al-type), Ti{sub 2}Ni{sub 2}Sn (U{sub 2}Pt{sub 2}Sn-type), and Ti{sub 5}NiSn{sub 3} (Hf{sub 5}CuSn{sub 3}-type) are formed in Ti-Ni-Sn system at 1073 K. The TiNi{sub 2}Sn stannide is characterized by homogeneity in the range of 50-47 at% of Ni. The Ti-Ni-Sb ternary system at 873 K is characterized by formation of three ternary intermetallic compounds, Ti{sub 0.8}NiSb (MgAgAs-type), Ti{sub 5}Ni{sub 0.45}Sb{sub 2.55} (W{sub 5}Si{sub 3}-type), and Ti{sub 5}NiSb{sub 3} (Hf{sub 5}CuSn{sub 3}-type). The solubility of Ni in Ti{sub 0.8}NiSb decreases number of vacancies in Ti site up to Ti{sub 0.91}Ni{sub 1.1}Sb composition. - Graphical abstract: Isothermal section of the Ti-Ni-Sn phase diagram and DOS distribution in hypothetical TiNi{sub 1+x}Sn solid solution. Highlights: Black-Right-Pointing-Pointer Ti-Ni-Sn phase diagram was constructed at 1073 K. Black-Right-Pointing-Pointer Four ternary compounds are formed: TiNiSn, TiNi{sub 2-x}Sn, Ti{sub 2}Ni{sub 2}Sn, and Ti{sub 5}NiSn{sub 3}. Black-Right-Pointing-Pointer Three ternary compounds exist in Ti-Ni-Sb system at 873 K. Black-Right-Pointing-Pointer The TiNi{sub 2}Sb compound is absent.

  8. The fabrication of foam-like 3D mesoporous NiO-Ni as anode for high performance Li-ion batteries

    SciTech Connect (OSTI)

    Huang, Peng; Zhang, Xin; Wei, Jumeng; Pan, Jiaqi; Sheng, Yingzhou; Feng, Boxue

    2015-03-15

    Graphical abstract: Foam-like 3 dimensional (3D) mesoporous NiO on 3D micro-porous Ni was fabricated. - Highlights: We prepare NiO-Ni foam composite via hydrothermal etching and subsequent annealing. The NiO exhibits novel foam-like 3D mesoporous architecture. The NiO-Ni anode shows good cycle stability. - Abstract: Foam-like three dimensional mesoporous NiO on Ni foam was fabricated via facile hydrothermal etching and subsequent annealing treatment. The porous NiO consists of a large number of nanosheets with mean thickness about 50 nm, among which a large number of mesoscopic pores with size ranges from 100 nm to 1 ?m distribute. The electrochemical performance of the as-prepared NiO-Ni as anode for lithium ion battery was studied by conventional charge/discharge test, which shows excellent cycle stability and rate capability. It exhibits initial discharge and charge capacities of 979 and 707 mA h g{sup ?1} at a charge/discharge rate of 0.7 C, which maintain of 747 and 738 mA h g{sup ?1} after 100 cycles. Even after 60 cycles at various rates from 0.06 to 14 C, the 10th discharge and charge capacities of the NiO-Ni electrode can revert to 699 and 683 mA h g{sup ?1} when lowering the charge/discharge rate to 0.06 C.

  9. The mitochondrial fatty acid synthesis (mtFASII) pathway is capable of mediating nuclear-mitochondrial cross talk through the PPAR system of transcriptional activation

    SciTech Connect (OSTI)

    Parl, Angelika; Mitchell, Sabrina L.; Clay, Hayley B.; Reiss, Sara; Li, Zhen; Murdock, Deborah G.

    2013-11-15

    Highlights: The function of the mitochondria fatty acid synthesis pathway is partially unknown. Overexpression of the pathway causes transcriptional activation through PPARs. Knock down of the pathway attenuates that activation. The last enzyme in the pathway regulates its own transcription. Products of the mtFASII pathway are able to drive nuclear transcription. -- Abstract: Mammalian cells contain two fatty acid synthesis pathways, the cytosolic FASI pathway, and the mitochondrial FASII pathway. The selection behind the conservation of the mitochondrial pathway is not completely understood, given the presence of the cytosolic FAS pathway. In this study, we show through heterologous gene reporter systems and PCR-based arrays that overexpression of MECR, the last step in the mtFASII pathway, causes modulation of gene expression through the PPAR pathway. Electromobility shift assays (EMSAs) demonstrate that overexpression of MECR causes increased binding of PPARs to DNA, while cell fractionation and imaging studies show that MECR remains localized to the mitochondria. Interestingly, knock down of the mtFASII pathway lessens the effect of MECR on this transcriptional modulation. Our data are most consistent with MECR-mediated transcriptional activation through products of the mtFASII pathway, although we cannot rule out MECR acting as a coactivator. Further investigation into the physiological relevance of this communication will be necessary to better understand some of the phenotypic consequences of deficits in this pathway observed in animal models and human disease.

  10. Graphene Monolayer Rotation on Ni(111) Facilities Bilayer Graphene Growth

    SciTech Connect (OSTI)

    Batzill M.; Sutter P.; Dahal, A.; Addou, R.

    2012-06-11

    Synthesis of bilayer graphene by chemical vapor deposition is of importance for graphene-based field effect devices. Here, we demonstrate that bilayer graphene preferentially grows by carbon-segregation under graphene sheets that are rotated relative to a Ni(111) substrate. Rotated graphene monolayer films can be synthesized at growth temperatures above 650 C on a Ni(111) thin-film. The segregated second graphene layer is in registry with the Ni(111) substrate and this suppresses further C-segregation, effectively self-limiting graphene formation to two layers.

  11. Nondestructive evaluation of Ni-Ti shape memory alloy

    SciTech Connect (OSTI)

    Meir, S.; Gordon, S.; Karsh, M.; Ayers, R.; Olson, D. L.; Wiezman, A.

    2011-06-23

    The nondestructive evaluation of nickel titanium (Ni-Ti) alloys for applications such as heat treatment for biomaterials applications (dental) and welding was investigated. Ni-Ti alloys and its ternary alloys are valued for mechanical properties in addition to the shape memory effect. Two analytical approaches were perused in this work. Assessment of the microstructure of the alloy that determines the martensitic start temperature (Ms) of Ni-Ti alloy as a function of heat treatment, and secondly, an attempt to evaluate a Friction Stir Welding, which involves thermo-mechanical processing of the alloy.

  12. Overall Photocatalytic Water Splitting with NiOx-SrTiO3 A Revised Mechanism

    SciTech Connect (OSTI)

    Townsend, Troy K.; Browning, Nigel D.; Osterloh, Frank

    2012-11-01

    NiOx (0 < x < 1) modified SrTiO3 (STO) is one of the best studied photocatalyst for overall water splitting under UV light. The established mechanism for this and many other NiOx containing catalysts assumes water oxidation to occur at the early transition metal oxide and water reduction at NiOx. Here we show that NiOx-STO is more likely a three component Ni-STO-NiO catalyst, in which STO absorbs the light, Ni reduces protons, and NiO oxidizes water. This interpretation is based on systematic H2/O2 evolution tests of appropriately varied catalyst compositions using oxidized, chemically and photochemically added nickel and NiO nanoparticle cocatalysts. Surface photovoltage (SPV) measurements reveal that Ni(0) serves as an electron trap (site for water reduction) and that NiO serves as a hole trap (site for water oxidation). Electrochemical measurements show that the overpotential for water oxidation correlates with NiO content, whereas the water reduction overpotential depends on Ni content. Photodeposition experiments with NiCl2 and H2PtCl6 on NiO-STO show that electrons are available on the STO surface, not on the NiO particles. Based on photoelectrochemistry, both NiO and Ni particles suppress the Fermi level in STO, but the effect of this shift on catalytic activity is not clear. Overall, the results suggest a revised role for NiO in NiOx-STO and in many other nickel-containing water splitting systems, including NiOx-La:KTaO3, and many layered perovskites.

  13. Application of cluster-plus-glue-atom model to barrierless CuNiTi and CuNiTa films

    SciTech Connect (OSTI)

    Li, Xiaona, E-mail: lixiaona@dlut.edu.cn; Ding, Jianxin; Wang, Miao; Dong, Chuang [Key Laboratory of Materials Modification by Laser, Ion and Electron Beams (Dalian University of Technology), Ministry of Education, Dalian 116024 (China); Chu, Jinn P. [Department of Materials Science and Engineering, National Taiwan University of Science and Technology, Taipei 10607, Taiwan (China)

    2014-11-01

    To improve the thermal stability of copper and avoid its diffusion into surrounding dielectrics or interfacial reactions with them, the authors applied the cluster-plus-glue-atom model to investigate barrierless CuNiM (M?=?Ti or Ta) seed layers. The dissolution of the third element (Ti or Ta) in the Cu lattice with the aid of Ni significantly improved the thermal stability of the Cu seed layer. The appropriate M/Ni (M?=?Ti or Ta) ratio was selected to obtain a low resistivity: the resistivity was as low as 2.5??? cm for the (Ti{sub 1.5/13.5}Ni{sub 12/13.5}){sub 0.3}Cu{sub 99.7} film and 2.8??? cm for the (Ta{sub 1.1/13.1}Ni{sub 12/13.1}){sub 0.4}Cu{sub 99.6} film after annealing at 500?C for 1?h. After annealing at 500?C for 40?h, the two films remained stable without forming a Cu{sub 3}Si compound. The authors confirmed that the range of applications of the cluster-plus-glue-atom model could be extended. Therefore, a third element M with negative enthalpies of mixing with both Cu and Ni could be selected, under the premise that the mixing enthalpy of MNi is more negative than that of MCu.

  14. Excess Ni-doping induced enhanced room temperature magneto-functionality in Ni-Mn-Sn based shape memory alloy

    SciTech Connect (OSTI)

    Pramanick, S.; Giri, S.; Majumdar, S.; Chatterjee, S.

    2014-09-15

    Present work reports on the observation of large magnetoresistance (??30% at 80 kOe) and magnetocaloric effect (?12?Jkg{sup ?1}K{sup ?1} for 050 kOe) near room temperature (?290?K) on the Ni-excess ferromagnetic shape memory alloy Ni{sub 2.04}Mn{sub 1.4}Sn{sub 0.56}. The sample can be thought of being derived from the parent Ni{sub 2}Mn{sub 1.4}Sn{sub 0.6} alloy, where excess Ni was doped at the expense of Sn. Such Ni doping enhances the martensitic transition temperature and for the Ni{sub 2.04}Mn{sub 1.4}Sn{sub 0.56} it is found to be optimum (288?K). The doped alloy shows enhanced magneto-functional properties as well as reduced saturation magnetization as compared to the undoped counterpart at low temperature. A probable increment of antiferromagnetic correlation between Mn-atoms on Ni substitution can be accounted for the enhanced magneto-functional properties as well as reduction in saturation moment.

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

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

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

    2016-02-24

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

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

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

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

    2016-02-24

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

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

    SciTech Connect (OSTI)

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

    2014-11-10

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

  18. Tunability of exchange bias in Ni@NiO core-shell nanoparticles obtained by sequential layer deposition

    SciTech Connect (OSTI)

    D'Addato, Sergio; Spadaro, Maria Chiara; Luches, Paola; Valeri, Sergio; Grillo, Vincenzo; Rotunno, Enzo; Roldan Gutierrez, Manuel A.; Pennycook, Stephen J.; Ferretti, Anna Maria; Capetti, Elena; Ponti, A.

    2015-01-01

    Films of magnetic Ni@NiO core–shell nanoparticles (NPs, core diameter d ≅ 12 nm, nominal shell thickness variable between 0 and 6.5 nm) obtained with sequential layer deposition were investigated, to gain insight into the relationships between shell thickness/morphology, core-shell interface, and magnetic properties. Different values of NiO shell thickness ts could be obtained while keeping the Ni core size fixed, at variance with conventional oxidation procedures where the oxide shell is grown at the expense of the core. Chemical composition, morphology of the as-produced samples and structural features of the Ni/NiO interface were investigated with x-ray photoelectron spectroscopy and microscopy (scanning electron microscopy, transmission electron microscopy) techniques, and related with results from magnetic measurements obtained with a superconducting quantum interference device. The effect of the shell thickness on the magnetic properties could be studied. The exchange bias (EB) field Hbias is small and almost constant for ts up to 1.6 nm; then it rapidly grows, with no sign of saturation. This behavior is clearly related to the morphology of the top NiO layer, and is mostly due to the thickness dependence of the NiO anisotropy constant. The ability to tune the EB effect by varying the thickness of the last NiO layer represents a step towards the rational design and synthesis of core–shell NPs with desired magnetic properties.

  19. Ni(NiO)/single-walled carbon nanotubes composite: Synthesis of electro-deposition, gas sensing property for NO gas and density functional theory calculation

    SciTech Connect (OSTI)

    Li, Li; Zhang, Guo; Chen, Lei; Bi, Hong-Mei; Shi, Ke-Ying

    2013-02-15

    Graphical abstract: The Ni(NiO)/semiconducting single-walled carbon nanotubes composite collected from the cathode after electro-deposition shows a high sensitivity to low-concentration NO gas at room temperature (18 C). Display Omitted Highlights: ? Ni(NiO) nanoparticles were deposited on semiconducting SWCNTs by electro-deposition. ? Ni(NiO)/semiconducting SWCNTs film shows a high sensitivity to NO gas at 18 C. ?Theoretical calculation reveals electron transfer from SWCNTs to NO via Ni. -- Abstract: Single-walled carbon nanotubes which contains metallic SWCNTs (m-SWCNTs) and semiconducting SWCNTs (s-SWCNTs) have been obtained under electric arc discharge. Their separation can be effectively achieved by the electro-deposition method. The Ni(NiO)/s-SWCNTs composite was found on cathode where Ni was partially oxidized to NiO at ambient condition with Ni(NiO) nanoparticles deposited uniformly on the bundles of SWCNTs. These results were confirmed by Raman spectra, transmission electron microscopy (TEM), scanning electron microscopy (SEM), UVvisNIR and TG characterizations. Furthermore, investigation of the gas sensing property of Ni(NiO)/s-SWCNTs composite film to NO gas at 18 C demonstrated the sensitivity was approximately 5% at the concentration of 97 ppb. Moreover, density functional theory (DFT) calculations were performed to explore the sensing mechanism which suggested the adsorption of NO molecules onto the composite through NNi interaction as well as the proposition of electron transfer mechanisms from SWCNTs to NO via the Ni medium.

  20. Interdiffusion in nanometric Fe/Ni multilayer films

    SciTech Connect (OSTI)

    Liu, JX; Barmak, K

    2015-03-01

    Fe (3.1 nm)/Ni (3.3 nm)](20) multilayer films were prepared by DC magnetron sputtering onto oxidized Si(100) substrates. The Fe and Ni layers were shown to both be face-centered cubic by x-ray diffraction. Interdiffusion of the Fe and Ni layers in the temperature range of 300-430 degrees C was studied by x-ray reflectivity. From the decay of the integral intensity of the superlattice peak, the activation energy and the pre-exponential term for the effective interdiffusion coefficient were determined as to 1.06 +/- 0.07 eV and 5 x 10(-10) cm(2)/s, respectively. The relevance of the measured interdiffusion coefficient to the laboratory timescale synthesis of L1(0) ordered FeNi as a rare-earth free permanent magnet is discussed. (C) 2015 American Vacuum Society.

  1. N"I. L-S- Rad. Mat. DU

    Office of Legacy Management (LM)

    N"I. L-S- Rad. Mat. DU DU (UF4) Enr. U. Norm. U Thorium 34 Ti Alloy Subtotals Commercial ... Nuclear 1063- 570 1,484,083.2 14' Thorium Bridge- port Brass 762 380 -o- -o- 380 ...

  2. Support effects on hydrotreating activity of NiMo catalysts

    SciTech Connect (OSTI)

    Dominguez-Crespo, M.A. Arce-Estrada, E.M.; Torres-Huerta, A.M.

    2007-10-15

    The effect of the gamma alumina particle size on the catalytic activity of NiMoS{sub x} catalysts prepared by precipitation method of aluminum acetate at pH = 10 was studied. The structural characterization of the supports was measured by using XRD, pyridine FTIR-TPD and nitrogen physisorption. NiMo catalysts were characterized during the preparation steps (annealing and sulfidation) using transmission electron microscopy (TEM). Hydrogen TPR studies of the NiMo catalysts were also carried out in order to correlate their hydrogenating properties and their catalytic functionality. Catalytic tests were carried out in a pilot plant at 613, 633 and 653 K temperatures. The results showed that the rate constants of hydrodesulfurization (HDS), hydrodenitrogenation (HDN) and hydrodearomatizing (HDA) at 613-653 K decreased in the following order: A > B > C corresponding to the increase of NiMoS particle size associated to these catalysts.

  3. Oxidation-resistant, solution-processed plasmonic Ni nanochain...

    Office of Scientific and Technical Information (OSTI)

    Oxidation-resistant, solution-processed plasmonic Ni nanochain-SiOsub x (x < 2) selective solar thermal absorbers Citation Details In-Document Search Title: Oxidation-resistant, ...

  4. Double dumbbell shaped AgNi alloy by pulsed electrodeposition

    SciTech Connect (OSTI)

    Dhanapal, K.; Vasumathi, M.; Santhi, Kalavathy; Narayanan, V. Stephen, A.

    2014-01-28

    Silver-Nickel is the well-known thermally immiscible system that makes them quite complex for the formation of alloy. This kind of alloy can be attained from electrodeposition method. In the present work, AgNi alloy was synthesized by pulsed electrodeposition in a single bath two electrode system with the use of anodic alumina membrane. The prepared AgNi alloy and pure Ag were characterized with X-ray Diffraction (XRD) for structural confirmation, Scanning Electron Microscopy (SEM) for morphological, and magnetic properties by Vibrating Sample Magnetometer, respectively. The X-ray Diffraction study shows the formation of cubic structure for pure Ag. SEM analysis reveals the double dumbbell morphology for AgNi alloy and spherically agglomeration for pure silver. Hysteresis behaviour from VSM measurement indicates that the AgNi alloy have good ferro-magnetic properties.

  5. Vortexlike excitations in the heavy-fermion superconductor CeIrIn5

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

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

    2016-05-05

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

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

    SciTech Connect (OSTI)

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

    2014-07-01

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

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

    SciTech Connect (OSTI)

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

    2003-10-15

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

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

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

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

    2015-11-23

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

  9. A polymorphism in metallothionein 1A (MT1A) is associated with cadmium-related excretion of urinary beta 2‐microglobulin

    SciTech Connect (OSTI)

    Lei, Lijian; Chang, Xiuli; Rentschler, Gerda; Tian, Liting; Zhu, Guoying; Chen, Xiao; Jin, Taiyi; Broberg, Karin

    2012-12-15

    Objectives: Cadmium (Cd) toxicity of the kidney varies between individuals despite similar exposure levels. In humans Cd is mainly bound to metallothioneins (MT), which scavenge its toxic effects. Here we analyzed whether polymorphisms in MT genes MT1A and MT2A influence Cd-related kidney damage. Methods: In a cross-sectional study N = 512 volunteers were selected from three areas in South-Eastern China, which to varying degree were Cd-polluted from a smelter (control area [median Cd in urine U-Cd = 2.67 μg/L], moderately [U-Cd = 4.23 μg/L] and highly [U-Cd = 9.13 μg/L] polluted areas). U-Cd and blood Cd (B-Cd) concentrations were measured by graphite-furnace atomic absorption spectrometry. MT1A rs11076161 (G/A), MT2A rs10636 (G/C) and MT2A rs28366003 (A/G) were determined by Taqman assays; urinary N-Acetyl-beta-(D)-Glucosaminidase (UNAG) by spectrometry, and urinary β2-microglobulin (UB2M) by ELISA. Results: Higher B-Cd (natural log-transformed) with increasing number of MT1A rs11076161 A-alleles was found in the highly polluted group (p-value trend = 0.033; all p-values adjusted for age, sex, and smoking). In a linear model a significant interaction between rs11076161 genotype and B-Cd was found for UNAG (p = 0.001) and UB2M concentrations (p = 0.001). Carriers of the rs11076161 AA genotype showed steeper slopes for the associations between Cd in blood and natural log-transformed UB2M (β = 1.2, 95% CI 0.72–1.6) compared to GG carriers (β = 0.30, 95% CI 0.15–0.45). Also for UNAG (natural log-transformed) carriers of the AA genotype had steeper slopes (β = 0.55, 95% CI 0.27–0.84) compared to GG carriers (β = 0.018, 95% CI − 0.79–0.11). Conclusions: MT1A rs11076161 was associated with B-Cd concentrations and Cd-induced kidney toxicity at high exposure levels. -- Highlights: ► Cadmium is toxic to the kidney but the susceptibility differs between individuals. ► The toxic effect of cadmium is scavenged by metallothioneins. ► A common variant of

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

    SciTech Connect (OSTI)

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

    2011-01-01

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

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

    SciTech Connect (OSTI)

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

    2006-12-01

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

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

    SciTech Connect (OSTI)

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

    2013-01-31

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

  13. Crystal structure of Tb5Ni2In4, and magnetic properties of Dy5Ni2In4...

    Office of Scientific and Technical Information (OSTI)

    SciTech Connect Search Results Journal Article: Crystal structure of Tb5Ni2In4, and ... DOE Contract Number: DE-AC02-07CH11358 Resource Type: Journal Article Resource Relation: ...

  14. Anomalous magnetic behavior in nanocomposite materials of reduced graphene oxide-Ni/NiFe{sub 2}O{sub 4}

    SciTech Connect (OSTI)

    Kollu, Pratap E-mail: anirmalagrace@vit.ac.in; Prathapani, Sateesh; Varaprasadarao, Eswara K.; Mallick, Sudhanshu; Bahadur, D. E-mail: anirmalagrace@vit.ac.in; Santosh, Chella; Grace, Andrews Nirmala E-mail: anirmalagrace@vit.ac.in

    2014-08-04

    Magnetic Reduced Graphene Oxide-Nickel/NiFe{sub 2}O{sub 4} (RGO-Ni/NF) nanocomposite has been synthesized by one pot solvothermal method. Respective phase formations and their purities in the composite are confirmed by High Resolution Transmission Electron Microscope and X Ray Diffraction, respectively. For the RGO-Ni/NF composite material finite-size effects lead to the anomalous magnetic behavior, which is corroborated in temperature and field dependent magnetization curves. Here, we are reporting the behavior of higher magnetization values for Zero Field Cooled condition to that of Field Cooled for the RGO-Ni/NF nanocomposite. Also, the observed negative and positive moments in Hysteresis loops at relatively smaller applied fields (100?Oe and 200?Oe) are explained on the basis of surface spin disorder.

  15. Corrosion behavior of Ni and Ni-based alloys in concentrated NaOH solutions at high temperatures

    SciTech Connect (OSTI)

    Yasuda, M.; Fukumoto, K.; Ogata, Y.; Hine, F.

    1988-12-01

    Corrosion behavior of SUS 310S austenitic stainless steel, Alloy 600, Monel 400, and Ni 200 and NaOH solutions in the concentration range 30-60% at high temperatures up to 166/sup 0/C was studied. In solutions containing dissolved oxygen or under oxidizing conditions, all the specimens examined were corroded seriously due to oxygen diffusion through the porous oxide layer consisting of ..beta..-Ni(OH)/sub 2/. In hydrogen-saturated solutions, on the other hand, these Ni alloys were corrosion resistant because nickel in the alloys was active to oxidation of hydrogen. The specimens were corroded by deaerated solution at high temperatures in which hydrogen evolution took place as the counterreaction. The corrosion rate controlled by the hydrogen formation reaction increased exponentially with the decrease of the Ni content in the alloy.

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

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

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

  17. Monitoring of arsenic, boron and mercury by lichen and soil analysis in the Mt. Amiata geothermal area (central Italy)

    SciTech Connect (OSTI)

    Loppi, S.

    1997-12-31

    Epiphytic lichens and top-soils from the Mt. Amiata geothermal field (central Italy) were analyzed for their As, B and Hg content. Three areas were selected: (1) Abbadia S. Salvatore, where a large Hg mine with smelting and roasting plant was located; (2) Piancastagnaio, where there are geothermal power plants; (3) a remote site far from mines and geothermal power plants. The results showed that the geothermal power plants do not represent a macroscopic source of arsenic and boron contamination in the area. As far as mercury is concerned, at the Hg mining area of Abbadia S. Salvatore concentrations were extremely high both in soil and epiphytic lichens, and the anomalous content in these organisms was due to the uptake of elemental mercury originating from soil degassing. At the geothermal area of Piancastagnaio, soil mercury was not different from that in the control area, but Hg in lichens was almost twice the control levels, suggesting that the gaseous emissions from the geothermal power plants are an important source of air contamination.

  18. Electronic and structural influence of Ni by Pd substitution on the hydrogenation properties of TiNi

    SciTech Connect (OSTI)

    Emami, Hoda; Souques, Raphaeel; Crivello, Jean-Claude; Cuevas, Fermin

    2013-02-15

    In Ti (Ni,Pd) compounds, the hydrogen capacity and the stability of their hydrides decreases when Ni is partially substituted by larger in size Pd atoms. To understand this peculiar behaviour, the crystal structure of TiNi{sub 1-x}Pd{sub x}D{sub y} (x=0.1, 0.3 and 0.5) deuterides and the stability of TiNi{sub 1-x}Pd{sub x} (0{<=}x{<=}0.5) intermetallics and their hydrides have been investigated by both neutron diffraction experiments and Density Functional Theory (DFT) calculations. Neutron diffraction shows that at x=0.1 and 0.3, deuterium absorption induces tetragonal distortion in intermetallics sublattice whereas at x=0.5 the cubic symmetry is preserved. The structural properties and the heat of formation of TiNi{sub 1-x}Pd{sub x} (0{<=}x{<=}0.5) intermetallics and their hydrides have been determined by DFT. These results show that Pd substitution increases the stability of the intermetallics and decreases the stability of the hydrides, which confirms the rule of reverse stability. - Graphical abstract: Crystal structure of Ti(Ni,Pd)Hy hydrides in the I4/mmm space group. Highlights: Black-Right-Pointing-Pointer Neutron Diffraction and DFT calculations have been done on TiNi{sub 1-x}Pd{sub x}H{sub y} compounds. Black-Right-Pointing-Pointer Electronic effect of Pd substitution governs the hydrogenation properties in TiNi. Black-Right-Pointing-Pointer The rule of reverse stability in intermetallics/hydrides is observed with Pd substitution. Black-Right-Pointing-Pointer The hydrogen atoms in the I4/mmm structure prefer to occupy the 16n site.

  19. Direct Observation of Defect Range and Evolution in Ion-Irradiated Single Crystalline Ni and Ni Binary Alloys

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

    Lu, Chenyang; Jin, Ke; Béland, Laurent K.; Zhang, Feifei; Yang, Taini; Qiao, Liang; Zhang, Yanwen; Bei, Hongbin; Christen, Hans M.; Stoller, Roger E.; et al

    2016-02-01

    We report that energetic ions have been widely used to evaluate the irradiation tolerance of structural materials for nuclear power applications and to modify material properties. It is important to understand the defect production, annihilation and migration mechanisms during and after collision cascades. In this study, single crystalline pure nickel metal and single-phase concentrated solid solution alloys of 50%Ni50%Co (NiCo) and 50%Ni50%Fe (NiFe) without apparent preexisting defect sinks were employed to study defect dynamics under ion irradiation. Both cross-sectional transmission electron microscopy characterization (TEM) and Rutherford backscattering spectrometry channeling (RBS-C) spectra show that the range of radiation-induced defect clusters farmore » exceed the theoretically predicted depth in all materials after high-dose irradiation. Defects in nickel migrate faster than in NiCo and NiFe. Both vacancy-type stacking fault tetrahedra (SFT) and interstitial loops coexist in the same region, which is consistent with molecular dynamics simulations. Kinetic activation relaxation technique (k-ART) simulations for nickel showed that small vacancy clusters, such as di-vacancies and tri-vacancies, created by collision cascades are highly mobile, even at room temperature. The slower migration of defects in the alloy along with more localized energy dissipation of the displacement cascade may lead to enhanced radiation tolerance.« less

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

    SciTech Connect (OSTI)

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

    1997-12-31

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

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

    SciTech Connect (OSTI)

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

    1999-07-01

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

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

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

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

    2015-08-26

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

  3. 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.

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

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

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

    2015-08-26

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

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

    SciTech Connect (OSTI)

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

    2015-05-07

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

  6. Enhanced room temperature ferromagnetism in antiferromagnetic NiO nanoparticles

    SciTech Connect (OSTI)

    Ravikumar, Patta; Kisan, Bhagaban; Perumal, A.

    2015-08-15

    We report systematic investigations of structural, vibrational, resonance and magnetic properties of nanoscale NiO powders prepared by ball milling process under different milling speeds for 30 hours of milling. Structural properties revealed that both pure NiO and as-milled NiO powders exhibit face centered cubic structure, but average crystallite size decreases to around 11 nm along with significant increase in strain with increasing milling speed. Vibrational properties show the enhancement in the intensity of one-phonon longitudinal optical (LO) band and disappearance of two-magnon band due to size reduction. In addition, two-phonon LO band exhibits red shift due to size-induced phonon confinement effect and surface relaxation. Pure NiO powder exhibit antiferromagnetic nature, which transforms into induced ferromagnetic after size reduction. The average magnetization at room temperature increases with decreasing the crystallite size and a maximum moment of 0.016 μ{sub B}/f.u. at 12 kOe applied field and coercivity of 170 Oe were obtained for 30 hours milled NiO powders at 600 rotation per minute milling speed. The change in the magnetic properties is also supported by the vibrational properties. Thermomagnetization measurements at high temperature reveal a well-defined magnetic phase transition at high temperature (T{sub C}) around 780 K due to induced ferromagnetic phase. Electron paramagnetic resonance (EPR) studies reveal a good agreement between the EPR results and magnetic properties. The observed results are described on the basis of crystallite size variation, defect density, large strain, oxidation/reduction of Ni and interaction between uncompensated surfaces and particle core with lattice expansion. The obtained results suggest that nanoscale NiO powders with high T{sub C} and moderate magnetic moment at room temperature with cubic structure would be useful to expedite for spintronic devices.

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

    SciTech Connect (OSTI)

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

    2013-06-07

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

  8. Probing the Mechanism of the Mycobacterium tuberculosis [beta]-Ketoacyl-Acyl Carrier Protein Synthase III mtFabH: Factors Influencing Catalysis and Substrate Specificity

    SciTech Connect (OSTI)

    Brown, Alistair K.; Sridharan, Sudharsan; Kremer, Laurent; Lindenberg, Sandra; Dover, Lynn G.; Sacchettini, James C.; Besra, Gurdyal S.

    2010-11-30

    Mycolic acids are the dominant feature of the Mycobacterium tuberculosis cell wall. These {alpha}-alkyl, {beta}-hydroxy fatty acids are formed by the condensation of two fatty acids, a long meromycolic acid and a shorter C{sub 24}-C{sub 26} fatty acid. The component fatty acids are produced via a combination of type I and II fatty acid synthases (FAS) with FAS-I products being elongated by FAS-II toward meromycolic acids. The {beta}-ketoacyl-acyl carrier protein (ACP) synthase III encoded by mtfabH (mtFabH) links FAS-I and FAS-II, catalyzing the condensation of FAS-I-derived acyl-CoAs with malonyl-acyl carrier protein (ACP). The acyl-CoA chain length specificity of mtFabH was assessed in vitro; the enzyme extended longer, physiologically relevant acyl-CoA primers when paired with AcpM, its natural partner, than with Escherichia coli ACP. The ability of the enzyme to use E. coli ACP suggests that a similar mode of binding is likely with both ACPs, yet it is clear that unique factors inherent to AcpM modulate the substrate specificity of mtFabH. Mutation of proposed key mtFabH residues was used to define their catalytic roles. Substitution of supposed acyl-CoA binding residues reduced transacylation, with double substitutions totally abrogating activity. Mutation of Arg{sup 46} revealed its more critical role in malonyl-AcpM decarboxylation than in the acyl-CoA binding role. Interestingly, this effect was suppressed intragenically by Arg{sup 161} {yields} Ala substitution. Our structural studies suggested that His{sup 258}, previously implicated in malonyl-ACP decarboxylation, also acts as an anchor point for a network of water molecules that we propose promotes deprotonation and transacylation of Cys{sup 122}.

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

    SciTech Connect (OSTI)

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

    2009-05-01

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

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

    SciTech Connect (OSTI)

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

    2013-11-07

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

  11. Identification of Highly Active Fe Sites in (Ni,Fe)OOH for Electrocatalytic

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

    Water Splitting | Stanford Synchrotron Radiation Lightsource Identification of Highly Active Fe Sites in (Ni,Fe)OOH for Electrocatalytic Water Splitting Thursday, April 30, 2015 Operando XAS showing structural changes at Fe dopants in Ni(OH)2/NiOOH host structure. Ni(OH)2 is oxidized into γ-NiOOH under OER operating conditions, inducing significant M-O bond contraction at both Ni and Fe sites. Theoretical modeling of site specific OER overpotentials using DFT+U reveals the origin of

  12. Modified Ni-Cu catalysts for ethanol steam reforming

    SciTech Connect (OSTI)

    Dan, M.; Mihet, M.; Almasan, V.; Borodi, G.; Katona, G.; Muresan, L.; Lazar, M. D.

    2013-11-13

    Three Ni-Cu catalysts, having different Cu content, supported on γ-alumina were synthesized by wet co-impregnation method, characterized and tested in the ethanol steam reforming (ESR) reaction. The catalysts were characterized for determination of: total surface area and porosity (N{sub 2} adsorption - desorption using BET and Dollimer Heal methods), Ni surface area (hydrogen chemisorption), crystallinity and Ni crystallites size (X-Ray Diffraction), type of catalytic active centers (Hydrogen Temperature Programmed Reduction). Total surface area and Ni crystallites size are not significantly influenced by the addition of Cu, while Ni surface area is drastically diminished by increasing of Cu concentration. Steam reforming experiments were performed at atmospheric pressure, temperature range 150-350°C, and ethanol - water molar ration of 1 at 30, using Ar as carrier gas. Ethanol conversion and hydrogen production increase by the addition of Cu. At 350°C there is a direct connection between hydrogen production and Cu concentration. Catalysts deactivation in 24h time on stream was studied by Transmission Electron Microscopy (TEM) and temperature-programmed reduction (TPR) on used catalysts. Coke deposition was observed at all studied temperatures; at 150°C amorphous carbon was evidenced, while at 350°C crystalline, filamentous carbon is formed.

  13. An Update on NiCE Support for BISON

    SciTech Connect (OSTI)

    McCaskey, Alex; Billings, Jay Jay; Deyton, Jordan H.; Wojtowicz, Anna

    2015-09-01

    The Nuclear Energy Advanced Modeling and Simulation program (NEAMS) from the Department of Energy s Office of Nuclear Energy has funded the development of a modeling and simulation workflow environment to support the various codes in its nuclear energy scientific computing toolkit. This NEAMS Integrated Computational Environment (NiCE) provides extensible tools and services that enable efficient code execution, input generation, pre-processing visualizations, and post-simulation data analysis and visualization for a large portion of the NEAMS Toolkit. A strong focus for the NiCE development team throughout FY 2015 has been support for the Multiphysics Object Oriented Simulation Environment (MOOSE) and the NEAMS nuclear fuel performance modeling application built on that environment, BISON. There is a strong desire in the program to enable and facilitate the use of BISON throughout nuclear energy research and industry. A primary result of this desire is the need for strong support for BISON in NiCE. This report will detail improvements to NiCE support for BISON. We will present a new and improved interface for interacting with BISON simulations in a variety of ways: (1) improved input model generation, (2) embedded mesh and solution data visualizations, and (3) local and remote BISON simulation launch. We will also show how NiCE has been extended to provide support for BISON code development.

  14. Superior performance of Ni-W-Ce mixed-metal oxide catalysts for ethanol steam reforming: Synergistic effects of W- and Ni-dopants

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

    Rodriguez, Jose A.; Liu, Zongyuan; Xu, Wenqian; Yao, Siyu; Johnson-Peck, Aaron C.; Zhao, Fuzhen; Michorczyk, Piotr; Kubacka, Anna; Stach, Eric A.; Fernandez-Garica, Marcos; et al

    2014-11-26

    The ethanol steam reforming (ESR) reaction was studied over a series of Ni-W-Ce oxide catalysts. The structures of the catalysts were characterized using in-situ techniques including X-ray diffraction, Pair Distribution Function, X-ray absorption fine structure and transmission electron microscopy; while possible surface intermediates for the ESR reaction were investigated by Diffuse Reflectance Infrared Fourier Transform Spectroscopy. In these materials, all the W and part of the Ni were incorporated into the CeO? lattice, with the remaining Ni forming highly dispersed nano NiO (moreThe Ni-W-Ce systeme exhibited a much larger lattice strain than those seen for Ni-Ce and W-Ce. Synergistic effects between Ni and W inside ceria produced a substantial amount of defects and O vacancies that led to high catalytic activity, selectivity and stability (i.e. resistance to coke formation) during ethanol steam reforming.less

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

    SciTech Connect (OSTI)

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

    2010-11-15

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

  16. Mitigation of Sulfur Poisoning of Ni/Zirconia SOFC Anodes by Antimony and Tin

    SciTech Connect (OSTI)

    Marina, Olga A.; Coyle, Christopher A.; Engelhard, Mark H.; Pederson, Larry R.

    2011-02-28

    Surface Ni/Sb and Ni/Sb alloys were found to efficiently minimize the negative effects of sulfur on the performance of Ni/zirconia anode-supported solid oxide fuel cells (SOFC). Prior to operating on fuel gas containing low concentrations of H2S, the nickel/zirconia anodes were briefly exposed to antimony or tin vapor, which only slightly affected the SOFC performance. During the subsequent exposures to 1 and 5 ppm H2S, increases in anodic polarization losses were minimal compared to those observed for the standard nickel/zirconia anodes. Post-test XPS analyses showed that Sb and Sn tended to segregate to the surface of Ni particles, and further confirmed a significant reduction of adsorbed sulfur on the Ni surface in Ni/Sn and Ni/Sb samples compared to the Ni. The effect may be the result of weaker sulfur adsorption on bimetallic surfaces, adsorption site competition between sulfur and Sb or Sn on Ni, or other factors. The use of dilute binary alloys of Ni-Sb or Ni-Sn in the place of Ni, or brief exposure to Sb or Sn vapor, may be effective means to counteract the effects of sulfur poisoning in SOFC anodes and Ni catalysts. Other advantages, including suppression of coking or tailoring the anode composition for the internal reforming, are also expected.

  17. Weldability of an Ni/sub 3/Al alloy

    SciTech Connect (OSTI)

    Santella, M.L.; David, S.A.; Horton, J.A.

    1986-01-01

    Since joining by conventional welding processes is an important means of fabricating structural components, weldability has become a key issue in the development of these new Ni/sub 3/Al alloys. Results of an initial evaluation of the weldability of Ni/sub 3/Al containing 0.1 at. % B and 0.5 at. % Hf are reported. Plates were prepared by conventional methods and used to make full penetration electron beam and gas tungsten arc welds. Initial results indicate that hafnium improves the weldability of Ni/sub 3/Al alloys although they are still susceptible to cracking. Examination of microstructures indicated that a distinct microsegregation pattern developed in the welds and affected the ordering behavior of fusion zones. Room temperature tensile testing suggested that welds can have strength and ductility values comparable to base materials, and that postweld heat treatment can improve tensile properties.

  18. Bimetallic Fe-Ni Oxygen Carriers for Chemical Looping Combustion

    SciTech Connect (OSTI)

    Bhavsar, Saurabh; Veser, Goetz

    2013-11-06

    The relative abundance, low cost, and low toxicity of iron make Fe-based oxygen carriers of great interest for chemical looping combustion (CLC), an emerging technology for clean and efficient combustion of fossil and renewable fuels. However, Fe also shows much lower reactivity than other metals (such as Ni and Cu). Here, we demonstrate strong improvement of Fe-based carriers by alloying the metal phase with Ni. Through a combination of carrier synthesis and characterization with thermogravimetric and fixed-bed reactor studies, we demonstrate that the addition of Ni results in a significant enhancement in activity as well as an increase in selectivity for total oxidation. Furthermore, comparing alumina and ceria as support materials highlights the fact that reducible supports can result in a strong increase in oxygen carrier utilization.

  19. Atomic and electronic structure of Ni-Nb metallic glasses

    SciTech Connect (OSTI)

    Yuan, C. C.; Yang, Y.-F. Xi, X. K.

    2013-12-07

    Solid state {sup 93}Nb nuclear magnetic resonance spectroscopy has been employed to investigate the atomic and electronic structures in Ni-Nb based metallic glass (MG) model system. {sup 93}Nb nuclear magnetic resonance (NMR) isotropic metallic shift of Ni{sub 60}Nb{sub 35}Sn{sub 5} has been found to be ∼100 ppm lower than that of Ni{sub 60}Nb{sub 35}Zr{sub 5} MG, which is correlated with their intrinsic fracture toughness. The evolution of {sup 93}Nb NMR isotropic metallic shifts upon alloying is clearly an electronic origin, as revealed by both local hyperfine fields analysis and first-principle computations. This preliminary result indicates that, in addition to geometrical considerations, atomic form factors should be taken into a description of atomic structures for better understanding the mechanical behaviors of MGs.

  20. Healing of graphene on single crystalline Ni(111) films

    SciTech Connect (OSTI)

    Zeller, Patrick; Wintterlin, Joost; Speck, Florian; Ostler, Markus; Weinl, Michael; Schreck, Matthias; Seyller, Thomas

    2014-11-10

    The annealing of graphene layers grown on 150?nm thick single crystal Ni(111) films was investigated in situ by low energy electron microscopy and photoemission electron microscopy. After growth, by means of chemical vapor deposition of ethylene, the graphene layers consist of several domains showing different orientations with respect to the underlying Ni surface and also of small bilayer areas. It is shown that, in a controlled process, the rotated domains can be transformed into lattice-aligned graphene, and the bilayer areas can be selectively dissolved, so that exclusively the aligned monolayer graphene is obtained. The ordering mechanism involves transport of C atoms across the surface and solution in the bulk.

  1. Local Metal and Deuterium Ordering in the Deuterated ZrTiNi C14...

    Office of Scientific and Technical Information (OSTI)

    Local Metal and Deuterium Ordering in the Deuterated ZrTiNi C14 Laves Phase Citation Details In-Document Search Title: Local Metal and Deuterium Ordering in the Deuterated ZrTiNi ...

  2. Latent instabilities in metallic LaNiO₃ films by strain control...

    Office of Scientific and Technical Information (OSTI)

    LaNiO films by strain control of Fermi-surface topology Prev Next Title: Latent instabilities in metallic LaNiO films by strain control of Fermi-surface topology ...

  3. Latent instabilities in metallic LaNiO₃ films by strain control...

    Office of Scientific and Technical Information (OSTI)

    Latent instabilities in metallic LaNiO films by strain control of Fermi-surface topology Prev Next Title: Latent instabilities in metallic LaNiO films by strain control ...

  4. Deformation behavior of Nb nanowires in TiNiCu shape memory alloy...

    Office of Scientific and Technical Information (OSTI)

    in TiNiCu shape memory alloy matrix This content will become publicly available on August 18, 2016 Title: Deformation behavior of Nb nanowires in TiNiCu shape memory alloy matrix ...

  5. Solid-solution CrCoCuFeNi high-entropy alloy thin films synthesized...

    Office of Scientific and Technical Information (OSTI)

    Solid-solution CrCoCuFeNi high-entropy alloy thin films synthesized by sputter deposition Title: Solid-solution CrCoCuFeNi high-entropy alloy thin films synthesized by sputter ...

  6. Fusion reactions of Ni 58 , 64 + Sn 124 (Journal Article) | SciTech...

    Office of Scientific and Technical Information (OSTI)

    Fusion reactions of Ni 58 , 64 + Sn 124 Citation Details In-Document Search Title: Fusion reactions of Ni 58 , 64 + Sn 124 Authors: Jiang, C. L. ; Stefanini, A. M. ; Esbensen, H. ; ...

  7. Coexistence of charge-density wave and ferromagnetism in Ni2MnGa...

    Office of Scientific and Technical Information (OSTI)

    Coexistence of charge-density wave and ferromagnetism in Ni2MnGa Citation Details In-Document Search Title: Coexistence of charge-density wave and ferromagnetism in Ni2MnGa ...

  8. Local structure study of Fe dopants in Ni-deficit Ni3Al alloys

    SciTech Connect (OSTI)

    V. N. Ivanovski; Umicevic, A.; Belosevic-Cavor, J.; Lei, Hechang; Li, Lijun; Cekic, B.; Koteski, V.; Petrovic, C.

    2015-08-24

    We found that the local electronic and magnetic structure, hyperfine interactions, and phase composition of polycrystalline Ni–deficient Ni 3-x FexAl (x = 0.18 and 0.36) were investigated by means of 57 Fe Mössbauer spectroscopy. The samples were characterized by X–ray diffraction and magnetization measurements. The ab initio calculations performed with the projector augmented wave method and the calculations of the energies of iron point defects were done to elucidate the electronic structure and site preference of Fe doped Ni 3 Al. Moreover, the value of calculated electric field gradient tensor Vzz=1.6 1021Vm-2 matches well with the results of Mössbauer spectroscopy and indicates that the Fe atoms occupy Ni sites.

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

    SciTech Connect (OSTI)

    Tanasa, Adrian; Vitale, Patrizia

    2010-03-15

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

  10. Superior performance of Ni-W-Ce mixed-metal oxide catalysts for ethanol steam reforming: Synergistic effects of W- and Ni-dopants

    SciTech Connect (OSTI)

    Rodriguez, Jose A.; Liu, Zongyuan; Xu, Wenqian; Yao, Siyu; Johnson-Peck, Aaron C.; Zhao, Fuzhen; Michorczyk, Piotr; Kubacka, Anna; Stach, Eric A.; Fernandez-Garica, Marcos; Senanayake, Sanjaya D.

    2014-11-26

    The ethanol steam reforming (ESR) reaction was studied over a series of Ni-W-Ce oxide catalysts. The structures of the catalysts were characterized using in-situ techniques including X-ray diffraction, Pair Distribution Function, X-ray absorption fine structure and transmission electron microscopy; while possible surface intermediates for the ESR reaction were investigated by Diffuse Reflectance Infrared Fourier Transform Spectroscopy. In these materials, all the W and part of the Ni were incorporated into the CeO? lattice, with the remaining Ni forming highly dispersed nano NiO (< 2 nm) outside the Ni-W-Ce oxide structure. The nano NiO was reduced to Ni under ESR conditions. The Ni-W-Ce systeme exhibited a much larger lattice strain than those seen for Ni-Ce and W-Ce. Synergistic effects between Ni and W inside ceria produced a substantial amount of defects and O vacancies that led to high catalytic activity, selectivity and stability (i.e. resistance to coke formation) during ethanol steam reforming.

  11. Phase stabilities of pyrite-related MTCh compounds (M=Ni, Pd, Pt; T=Si, Ge, Sn, Pb; Ch=S, Se, Te): A systematic DFT study

    SciTech Connect (OSTI)

    Bachhuber, Frederik; Krach, Alexander; Furtner, Andrea; Söhnel, Tilo; Peter, Philipp; Rothballer, Jan; Weihrich, Richard

    2015-03-15

    Pyrite-type and related systems appear for a wide range of binary and ternary combinations of transition metals and main group elements that form Zintl type dumbbell anion units. Those representatives with 20 valence electrons exhibit an extraordinary structural flexibility and interesting properties as low-gap semiconductors or thermoelectric and electrode materials. This work is devoted to the systematic exploration of novel compounds within the class of MTCh compounds (M=Ni, Pd, Pt; T=Si, Ge, Sn, Pb; Ch=S, Se, Te) by means of density functional calculations. Their preferred structures are predicted from an extended scheme of colored pyrites and marcasites. To determine their stabilities, competing binary MT{sub 2} and MCh{sub 2} boundary phases are taken into account as well as ternary M{sub 3}T{sub 2}Ch{sub 2} and M{sub 2}T{sub 3}Ch{sub 3} systems. Recently established stability diagrams are presented to account for MTCh ordering phenomena with a focus on a not-yet-reported ordering variant of the NiAs{sub 2} type. Due to the good agreement with experimental data available for several PtTCh systems, the predictions for the residual systems are considered sufficiently accurate. - Graphical abstract: Compositional and structural stability of MTCh compounds is investigated from first principle calculations. A conceptional approach is presented to study and predict novel stable and metastable compounds and structures of low gap semiconductors with TCh dumbbell units that are isoelectronic and structurally related to pyrite (FeS{sub 2}). - Highlights: • Study of compositional stability of MTCh vs. M{sub 3}T{sub 2}Ch{sub 2} and M{sub 2}T{sub 3}Ch{sub 3} compounds. • Study of structural stability of known and novel MTCh compounds. • Prediction of novel stable and metastable structures and compounds isoelectronic to pyrite, FeS{sub 2}.

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

    SciTech Connect (OSTI)

    Mackiewicz-Ludtka, G.; Sebright, J.

    2007-12-15

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

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

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

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

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

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

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

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

    SciTech Connect (OSTI)

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

    2004-09-30

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

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

    SciTech Connect (OSTI)

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

    1995-12-31

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

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

    SciTech Connect (OSTI)

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

    2014-11-01

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

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

    SciTech Connect (OSTI)

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

    2014-12-01

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

  19. Damage accumulation in ion-irradiated Ni-based concentrated solid-solution alloys

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

    Ullah, Mohammad W.; Aidhy, Dilpuneet S.; Zhang, Yanwen; Weber, William J.

    2016-01-01

    We investigate Irradiation-induced damage accumulation in Ni0.8Fe0.2 and Ni0.8Cr0.2 alloys by using molecular dynamics simulations to assess possible enhanced radiation-resistance in these face-centered cubic (fcc), single-phase, concentrated solid-solution alloys, as compared with pure fcc Ni.

  20. High Temperature coatings based on {beta}-NiAI

    SciTech Connect (OSTI)

    Severs, Kevin

    2012-07-10

    High temperature alloys are reviewed, focusing on current superalloys and their coatings. The synthesis, characerization, and oxidation performance of a NiAl–TiB{sub 2} composite are explained. A novel coating process for Mo–Ni–Al alloys for improved oxidation performance is examined. The cyclic oxidation performance of coated and uncoated Mo–Ni–Al alloys is discussed.

  1. High Tc YBCO superconductor deposited on biaxially textured Ni substrate

    DOE Patents [OSTI]

    Budai, John D.; Christen, David K.; Goyal, Amit; He, Qing; Kroeger, Donald M.; Lee, Dominic F.; List, III, Frederick A.; Norton, David P.; Paranthaman, Mariappan; Sales, Brian C.; Specht, Eliot D.

    1999-01-01

    A superconducting article includes a biaxially-textured Ni substrate, and epitaxial buffer layers of Pd (optional), CeO.sub.2 and YSZ, and a top layer of in-plane aligned, c-axis oriented YBCO having a critical current density (J.sub.c) in the range of at least 100,000 A/cm.sup.2 at 77 K.

  2. High strain rate deformation of NiAl

    SciTech Connect (OSTI)

    Maloy, S.A.; Gray, G.T. III; Darolia, R.

    1994-07-01

    NiAl is a potential high temperature structural material. Applications for which NiAl is being considered (such as rotating components in jet engines) requires knowledge of mechanical properties over a wide range of strain rates. Single crystal NiAl (stoichiometric and Ni 49.75Al 0.25Fe) has been deformed in compression along [100] at strain rates of 0.001, 0.1/s and 2000/s and temperatures of 76,298 and 773K. <111> slip was observed after 76K testing at a strain rate of 0.001/s and 298K testing at a strain rate of 2000/s. Kinking was observed after deformation at 298K and a strain rate of 0.001/s and sometimes at 298 K and a strain rate of 0.1/s. Strain hardening rates of 8200 and 4000 MPa were observed after 773 and 298K testing respectively, at a strain rate of 2000/s. Results are discussed in reference to resulting dislocation substructure.

  3. Electrochemical oxygen reduction catalysed by Ni3(hexaiminotriphenylene)2

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

    Miner, Elise M.; Fukushima, Tomohiro; Sheberla, Dennis; Sun, Lei; Surendranath, Yogesh; Dinca, Mircea

    2016-03-08

    Control over the architectural and electronic properties of heterogeneous catalysts poses a major obstacle in the targeted design of active and stable non-platinum group metal electrocatalysts for the oxygen reduction reaction. Here we introduce Ni3(HITP)2 (HITP=2, 3, 6, 7, 10, 11-hexaiminotriphenylene) as an intrinsically conductive metal-organic framework which functions as a well-defined, tunable oxygen reduction electrocatalyst in alkaline solution. Ni3(HITP)2 exhibits oxygen reduction activity competitive with the most active non-platinum group metal electrocatalysts and stability during extended polarization. The square planar Ni-N4 sites are structurally reminiscent of the highly active and widely studied non-platinum group metal electrocatalysts containing M-N4 units.more » Ni3(HITP)2 and analogues thereof combine the high crystallinity of metal-organic frameworks, the physical durability and electrical conductivity of graphitic materials, and the diverse yet well-controlled synthetic accessibility of molecular species. As a result, such properties may enable the targeted synthesis and systematic optimization of oxygen reduction electrocatalysts as components of fuel cells and electrolysers for renewable energy applications.« less

  4. FT-IR study of CO2 interaction with Na-rich montmorillonite

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

    Krukowski, Elizabeth G.; Goodman, Angela; Rother, Gernot; Ilton, Eugene S.; Guthrie, George; Bodnar, Robert J.

    2015-05-27

    Here, carbon capture, utilization and storage (CCUS) in saline reservoirs in sedimentary formations has the potential to reduce the impact of fossil fuel combustion on climate change by reducing CO2 emissions to the atmosphere and storing the CO2 in geologic formations in perpetuity. At pressure and temperature (PT) conditions relevant to CCUS, CO2 is less dense than the pre-existing brine in the formation, and the more buoyant CO2 will migrate to the top of the formation where it will be in contact with cap rock. Interactions between clay-rich shale cap rocks and CO2 are poorly understood at PT conditions appropriatemore » for CCUS in saline formations. In this study, the interaction of CO2 with clay minerals in the cap rock overlying a saline formation has been examined using Na+ exchanged montmorillonite (Mt) (Na+-STx-1) (Na+ Mt) as an analog for clay-rich shale. Attenuated Total Reflectance-Fourier Transform Infrared Spectroscopy (ATR-FTIR) was used to discern mechanistic information for CO2 interaction with hydrated (both one- and two-water layers) and relatively dehydrated (both dehydrated layers and one-water layers) Na+-STx-1 at 35 °C and 50 C and CO2 pressure from 0 5.9 MPa. CO2-induced perturbations associated with the water layer and Na+-STx-1 vibrational modes such as AlAlOH and AlMgOH were examined. Data indicate that CO2 is preferentially incorporated into the interlayer space, with relatively dehydrated Na+-STx-1 capable of incorporating more CO2 compared to hydrated Na+-STx-1. Spectroscopic data provide no evidence of formation of carbonate minerals or the interaction of CO2 with sodium cations in the Na+-STx-1 structure.« less

  5. Magnetic properties of Ni substituted Y-type barium ferrite

    SciTech Connect (OSTI)

    Won, Mi Hee; Kim, Chul Sung

    2014-05-07

    Y-type barium hexaferrite is attractive material for various applications, such as high frequency antennas and RF devices, because of its interesting magnetic properties. Especially, Ni substituted Y- type hexaferrites have higher magnetic ordering temperature than other Y-type. We have investigated macroscopic and microscopic properties of Y-type barium hexaferrite. Ba{sub 2}Co{sub 2−x}Ni{sub x}Fe{sub 12}O{sub 22} (x = 0, 0.5, 1.0, 1.5, and 2.0) samples are prepared by solid-state reaction method and studied by X-ray diffraction (XRD), vibrating sample magnetometer, and Mössbauer spectroscopy, as well as a network analyzer for high frequency characteristics. The XRD pattern is analyzed by Rietveld refinement method and confirms the hexagonal structure with R-3m. The hysteresis curve shows ferrimagnetic behavior. Saturation magnetization (M{sub s}) decreases with Ni contents. Ni{sup 2+}, which preferentially occupies the octahedral site with up-spin sub-lattice, has smaller spin value S of 1 than Co{sup 2+} having S = 3/2. The zero-field-cooled (ZFC) measurement of Ba{sub 2}Co{sub 1.5}Ni{sub 0.5}Fe{sub 12}O{sub 22} shows that Curie and spin transition temperatures are found to be 718 K and 209 K, respectively. The Curie temperature T{sub C} is increased with Ni contents, while T{sub S} is decreased with Ni. The Mössbauer spectra were measured at various temperatures and fitted by using a least-squares method with six sextet of six Lorentzian lines for Fe sites, corresponding to the 3b{sub VI}, 6c{sub IV}*, 6c{sub VI}, 18h{sub VI}, 6c{sub IV}, and 3a{sub IV} sites at below T{sub C}. From Mössbauer measurements, we confirmed the spin state of Fe ion to be Fe{sup 3+} and obtained the isomer shift (δ), magnetic hyperfine field (H{sub hf}), and the occupancy ratio of Fe ions at six sub-lattices. The complex permeability and permittivity are measured between 100 MHz and 4 GHz, suggesting that Y-type barium hexaferrite is promising for antenna

  6. 90° magnetic coupling in a NiFe/FeMn/biased NiFe multilayer spin valve component investigated by polarized neutron reflectometry

    SciTech Connect (OSTI)

    Callori, S. J. Bertinshaw, J.; Cortie, D. L.; Cai, J. W. Zhu, T.; Le Brun, A. P.; Klose, F.

    2014-07-21

    We have observed 90° magnetic coupling in a NiFe/FeMn/biased NiFe multilayer system using polarized neutron reflectometry. Magnetometry results show magnetic switching for both the biased and free NiFe layers, the latter of which reverses at low applied fields. As these measurements are only capable of providing information about the total magnetization within a sample, polarized neutron reflectometry was used to investigate the reversal behavior of the NiFe layers individually. Both the non-spin-flip and spin-flip neutron reflectometry signals were tracked around the free NiFe layer hysteresis loop and were used to detail the evolution of the magnetization during reversal. At low magnetic fields near the free NiFe coercive field, a large spin-flip signal was observed, indicating magnetization aligned perpendicular to both the applied field and pinned layer.

  7. First-principles investigations of Ni3Al(111) and NiAl(110) surfaces at metal dusting conditions

    SciTech Connect (OSTI)

    Saadi, Souheil

    2011-03-01

    We investigate the structure and surface composition of the {gamma}{prime}-Ni{sub 3}Al(111) and {beta}-NiAl(110) alloy surfaces at conditions relevant for metal dusting corrosion related to catalytic steam reforming of natural gas. In regular service as protective coatings, nickel-aluminum alloys are protected by an oxide scale, but in case of oxide scale spallation, the alloy surface may be directly exposed to the reactive gas environment and vulnerable to metal dusting. By means of density functional theory and thermochemical calculations for both the Ni{sub 3}Al and NiAl surfaces, the conditions under which CO and OH adsorption is to be expected and under which it is inhibited, are mapped out. Because CO and OH are regarded as precursors for nucleating graphite or oxide on the surfaces, phase diagrams for the surfaces provide a simple description of their stability. Specifically, this study shows how the CO and OH coverages depend on the steam to carbon ratio (S/C) in the gas and thereby provide a ranking of the carbon limits on the different surface phases.

  8. Engineering of high performance supercapacitor electrode based on Fe-Ni/Fe{sub 2}O{sub 3}-NiO core/shell hybrid nanostructures

    SciTech Connect (OSTI)

    Singh, Ashutosh K. E-mail: aksingh@bose.res.in; Mandal, Kalyan

    2015-03-14

    The present work reports on fabrication and supercapacitor applications of a core/shell Fe-Ni/Fe{sub 2}O{sub 3}-NiO hybrid nanostructures (HNs) electrode. The core/shell Fe-Ni/Fe{sub 2}O{sub 3}-NiO hybrid nanostructures have been fabricated through a two step method (nanowire fabrication and their controlled oxidation). The 1D hybrid nanostructure consists of highly porous shell layer (redox active materials NiO and Fe{sub 2}O{sub 3}) and the conductive core (FeNi nanowire). Thus, the highly porous shell layer allows facile electrolyte diffusion as well as faster redox reaction kinetics; whereas the conductive FeNi nanowire core provides the proficient express way for electrons to travel to the current collector, which helps in the superior electrochemical performance. The core/shell Fe-Ni/Fe{sub 2}O{sub 3}-NiO hybrid nanostructures electrode based supercapacitor shows very good electrochemical performances in terms of high specific capacitance nearly 1415?F g{sup ?1} at a current density of 2.5?A g{sup ?1}, excellent cycling stability and rate capability. The high quality electrochemical performance of core/shell hybrid nanostructures electrode shows its potential as an alternative electrode for forthcoming supercapacitor devices.

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

    SciTech Connect (OSTI)

    Saykally, Richard J.

    2015-01-22

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

  10. NiO nanoparticles induce apoptosis through repressing SIRT1 in human bronchial epithelial cells

    SciTech Connect (OSTI)

    Duan, Wei-Xia; He, Min-Di; Mao, Lin; Qian, Feng-Hua; Li, Yu-Ming; Pi, Hui-Feng; Liu, Chuan; Chen, Chun-Hai; Lu, Yong-Hui; Cao, Zheng-Wang; Zhang, Lei; Yu, Zheng-Ping; Zhou, Zhou

    2015-07-15

    With application of nano-sized nickel-containing particles (Nano-Ni) expanding, the health concerns about their adverse effects on the pulmonary system are increasing. However, the mechanisms for the pulmonary toxicity of these materials remain unclear. In the present study, we focused on the impacts of NiO nanoparticles (NiONPs) on sirtuin1 (SIRT1), a NAD-dependent deacetylase, and investigated whether SIRT1 was involved in NiONPs-induced apoptosis. Although the NiONPs tended to agglomerate in fluid medium, they still entered into the human bronchial epithelial cells (BEAS-2B) and released Ni{sup 2+} inside the cells. NiONPs at doses of 5, 10, and 20 μg/cm{sup 2} inhibited the cell viability. NiONPs' produced cytotoxicity was demonstrated through an apoptotic process, indicated by increased numbers of Annexin V positive cells and caspase-3 activation. The expression of SIRT1 was markedly down-regulated by the NiONPs, accompanied by the hyperacetylation of p53 (tumor protein 53) and overexpression of Bax (Bcl-2-associated X protein). However, overexpression of SIRT1 through resveratrol treatment or transfection clearly attenuated the NiONPs-induced apoptosis and activation of p53 and Bax. Our results suggest that the repression of SIRT1 may underlie the NiONPs-induced apoptosis via p53 hyperacetylation and subsequent Bax activation. Because SIRT1 participates in multiple biologic processes by deacetylation of dozens of substrates, this knowledge of the impact of NiONPs on SIRT1 may lead to an improved understanding of the toxic mechanisms of Nano-Ni and provide a molecular target to antagonize Nano-Ni toxicity. - Highlights: • NiONPs were taken up by BEAS-2B cells and released Ni{sup 2+}. • NiONPs produced cytotoxicity was demonstrated through an apoptotic process. • NiONPs repressed SIRT1 expression and activated p53 and Bax. • Overexpression of SIRT1 attenuated NiONPs-induced apoptosis via deacetylation p53.

  11. Temperature-induced sign change of the magnetic interlayer coupling in Ni/Ni{sub 25}Mn{sub 75}/Ni trilayers on Cu{sub 3}Au(001)

    SciTech Connect (OSTI)

    Shokr, Y. A.; Zhang, B.; Sandig, O.; Kuch, W.; Erkovan, M.; Wu, C.-B.

    2015-05-07

    We investigated the magnetic interlayer coupling between two ferromagnetic (FM) Ni layers through an antiferromagnetic (AFM) Ni{sub 25}Mn{sub 75} layer and the influence of this coupling on the exchange bias phenomenon. The interlayer coupling energy of an epitaxial trilayer of 14 atomic monolayers (ML) Ni/45 ML Ni{sub 25}Mn{sub 75}/16 ML Ni on Cu{sub 3}Au(001) was extracted from minor-loop magnetization measurements using in-situ magneto-optical Kerr effect. The interlayer coupling changes from ferromagnetic to antiferromagnetic when the temperature is increased above 300?K. This sign change is interpreted as the result of the competition between an antiparallel Ruderman-Kittel-Kasuya-Yosida (RKKY)-type interlayer coupling, which dominates at high temperature, and a stronger direct exchange coupling across the AFM layer, which is present only below the Nel temperature of the AFM layer.

  12. Searches for supersymmetry using the M$_{T2}$ variable in hadronic events produced in pp collisions at 8 TeV

    SciTech Connect (OSTI)

    Khachatryan, V.

    2015-05-15

    Searches for supersymmetry (SUSY) are performed using a sample of hadronic events produced in 8 TeV pp collisions at the CERN LHC. The searches are based on the M$_{T2}$ variable, which is a measure of the transverse momentum imbalance in an event. The data were collected with the CMS detector and correspond to an integrated luminosity of 19.5 fb1. Two related searches are performed. The first is an inclusive search based on signal regions defined by the value of the M$_{T2}$ variable, the hadronic energy in the event, the jet multiplicity, and the number of jets identified as originating from bottom quarks. The second is a search for a mass peak corresponding to a Higgs boson decaying to a bottom quark-antiquark pair, where the Higgs boson is produced as a decay product of a SUSY particle. For both searches, the principal backgrounds are evaluated with data control samples. No significant excess over the expected number of background events is observed, and exclusion limits on various SUSY models are derived.

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

    SciTech Connect (OSTI)

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

    2014-11-20

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

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

    DOE Patents [OSTI]

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

    2013-06-11

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

  15. Novel electrolyte chemistries for Mg-Ni rechargeable batteries.

    SciTech Connect (OSTI)

    Garcia-Diaz, Brenda; Kane, Marie; Au, Ming

    2010-10-01

    Commercial hybrid electric vehicles (HEV) and battery electric vehicles (BEV) serve as means to reduce the nation's dependence on oil. Current electric vehicles use relatively heavy nickel metal hydride (Ni-MH) rechargeable batteries. Li-ion rechargeable batteries have been developed extensively as the replacement; however, the high cost and safety concerns are still issues to be resolved before large-scale production. In this study, we propose a new highly conductive solid polymer electrolyte for Mg-Ni high electrochemical capacity batteries. The traditional corrosive alkaline aqueous electrolyte (KOH) is replaced with a dry polymer with conductivity on the order of 10{sup -2} S/cm, as measured by impedance spectroscopy. Several potential novel polymer and polymer composite candidates are presented with the best-performing electrolyte results for full cell testing and cycling.

  16. Intermixing in Cu/Ni multilayers induced by cold rolling

    SciTech Connect (OSTI)

    Wang, Z.; Perepezko, J. H.; Larson, D.; Reinhard, D.

    2015-04-28

    Repeated cold rolling was performed on multilayers of Cu60/Ni40 and Cu40/Ni60 foil arrays to study the details of driven atomic scale interfacial mixing. With increasing deformation, there is a significant layer refinement down to the nm level that leads to the formation of a solid solution phase from the elemental end members. Intriguingly, the composition of the solid solution is revealed by an oscillation in the composition profile across the multilayers, which is different from the smoothly varying profile due to thermally activated diffusion. During the reaction, Cu mixed into Ni preferentially compared to Ni mixing into Cu, which is also in contrast to the thermal diffusion behavior. This is confirmed by observations from X-ray diffraction, electron energy loss spectrum and atom probe tomography. The diffusion coefficient induced by cold rolling is estimated as 1.7 × 10{sup −17} m{sup 2}/s, which cannot be attributed to any thermal effect. The effective temperature due to the deformation induced mixing is estimated as 1093 K and an intrinsic diffusivity d{sub b}, which quantifies the tendency towards equilibrium in the absence of thermal diffusion, is estimated as 6.38 × 10{sup −18} m{sup 2}/s. The fraction of the solid solution phase formed is illustrated by examining the layer thickness distribution and is described by using an error function representation. The evolution of mixing in the solid solution phase is described by a simplified sinusoid model, in which the amplitude decays with increased deformation level. The promoted diffusion coefficient could be related to the effective temperature concept, but the establishment of an oscillation in the composition profile is a characteristic behavior that develops due to deformation.

  17. Precipitation in 18 wt% Ni maraging steel of grade 350

    SciTech Connect (OSTI)

    Tewari, R.; Mazumder, S.; Batra, I.S.; Dey, G.K.; Banerjee, S.

    2000-03-14

    The evolution of precipitates in maraging steel of grade 350 was studied using the complementary techniques of small angle X-ray scattering (SACS) and transmission electron microscopy (TEM). These investigations revealed that ageing the steel at 703 K involved a rhombohedral distortion of the supersaturated b.c.c. martensite accompanied by the appearance of diffuse {omega}-like structures. This was followed by the appearance of well-defined {omega} particles containing chemical order. At the ageing temperature of 783 K, Ni{sub 3}(Ti,Mo) precipitates were the first to appear with a growth exponent of 1/3. The values of the Pored exponent obtained from the SAXS profiles indicated that the {omega} particles, formed below 723 K, had diffuse interfaces up to an ageing time of 48 h. On the other hand, Ni{sub 3}(Ti,Mo) precipitates, formed above 723 K, developed sharp interfaces in just about an hour. Also, the steel exhibited scaling in phase separation both at 703 and 783 K, but only during the early stages. Through this study it was established that at temperatures of ageing less than 723 K, evolution of {omega} particles takes place through the collapse of the unstable b.c.c. lattice and, at temperatures above 723 K, precipitation of A{sub 3}B type of phases through the mechanism of clustering and ordering of atomic species. Sharp interfaces develop rather quickly when the mechanism of precipitation involves development and amplification of a concentration wave along as in the nucleation of Ni{sub 3}(Ti,Mo) at 783 K than when an interplay of both the displacement and concentration waves is required as in the evolution of {omega} at 703 K. These results indicate towards the possibility of existence of two separate time-temperature-transformation (TTT) curves, one for the evolution of {omega}-phase and another for nucleation and growth of Ni{sub 3}(Ti,Mo).

  18. Martensite transformation of epitaxial Ni-Ti films

    SciTech Connect (OSTI)

    Buschbeck, J.; Kozhanov, A.; Kawasaki, J. K.; James, R. D.; Palmstroem, C. J.

    2011-05-09

    The structure and phase transformations of thin Ni-Ti shape memory alloy films grown by molecular beam epitaxy are investigated for compositions from 43 to 56 at. % Ti. Despite the substrate constraint, temperature dependent x-ray diffraction and resistivity measurements reveal reversible, martensitic phase transformations. The results suggest that these occur by an in-plane shear which does not disturb the lattice coherence at interfaces.

  19. Intermetallic phase formation and breakdown of Mo diffusion barriers in Ni-Mo-Cu and Ni-Mo-Monel 400 diffusion triads

    SciTech Connect (OSTI)

    Shueh, Y.

    1988-01-01

    The purpose of this research was to study the kinetics of compound formation and the interdiffusion behavior of a sacrificial type diffusion barrier in a model system. Ni-Mo diffusion couples were annealed in an inert atmosphere at 950-1050{degree}C for 5-300 hours. Ni-Mo-Cu and Ni-Mo-Monel 400 diffusion triads with varied thicknesses of Mo layers sandwiched by Ni and C or Monel 400 disks were annealed under the same conditions. Parabolic growth of the intermetallic phase, {beta}, was observed at 1000{degree}C and 1050{degree}C in the semi-infinite Ni-Mo diffusion couple an din the Ni-Mo-Cu diffusion triad when a finite thickness of the Mo layer remained. The {beta} phase exhibited more or less planar morphology except in the case of some extremely rugged interfaces which were associated with grain boundaries adjacent to these interfaces. Dissociation and recession of the compound layer in Ni-Mo-Cu diffusion triads initiated when the Mo layer was nearly consumed. The product phases of the dissociation reaction are consistent with those predicted from the Ni-Mo-Cu ternary phase diagram. Numerical methods based on a finite difference technique, and an analytical solution based on diffusion controlled parabolic growth and quasi-steady-state approximation in the {beta} phase region were used to analyze the results.

  20. Auxiliary Ligand-Dependent Assembly of Several Ni/Ni-Cd Compounds with N2O2 Donor Tetradentate Symmetrical Schiff Base Ligand

    SciTech Connect (OSTI)

    Ge, Ying Ying; Li, Guo-Bi; Fang, Hua-Cai; Zhan, Xu Lin; Gu, Zhi-Gang; Chen, Jin Hao; Sun, Feng; Cai, Yue-Peng; Thallapally, Praveen K.

    2010-09-18

    Several low-dimensional Ni/Ni-Cd complexes containing N2O2 donor tetradentate symmetrical Schiff base ligand bis(acetylacetone)ethylene-diamine (sy-H2L2), namely, [Ni(sy-L2)]2?HLa?ClO4 (2), (HLa)2?(ClO4)?(NO3) (3), [Ni(sy-L2)X]2](4,4-bipy) (where La = 5,7-dimethyl-3,6-dihydro-2H-1,4-diazepine, X = ClO4 (4), X=NO3 (5), [Ni(sy-L2)Cd(SCN)2]n (6) and [Ni(sy-L2)?Cd(N3)2]n (7) have been synthesized from [Ni(sy-L2)]2?H2O (1). Complex 2, is three component discrete assembly generated from (HLa)+ moiety bridged with [Ni(sy-L2)] unit and ClO4- anion. A solution containing complex 2 and Cd(NO3)2 results in a mixture of 1 and 3. Further re-crystallization of 1 and 3 with various auxiliary ligands, provides coordination complexes 4 7 stabilized by weak hydrogen bonds in which 6 and 7 represent the first 1D heteronuclear complexes based on symmetric acacen-base Schiff base ligand.

  1. Ni(OH){sub 2} nanoflakes electrodeposited on Ni foam-supported vertically oriented graphene nanosheets for application in asymmetric supercapacitors

    SciTech Connect (OSTI)

    Wang, Xin; Liu, Jiyue; Wang, Yayu; Zhao, Cuimei; Zheng, Weitao

    2014-04-01

    Highlights: Ni(OH){sub 2}/vertically oriented graphene nanosheets (V-GNs) was prepared. Ni(OH){sub 2}/V-GNs had enhanced specific capacitance, cycling reversibility and stability. Performance of Ni(OH){sub 2}/GNs/NF-AC asymmetric supercapacitor was studied. - Abstract: Binderless Ni(OH){sub 2} nanoflakes grown on Ni foam (NF)-supported vertically oriented graphene nanosheets (V-GNs) has been fabricated as a positive electrode material for asymmetric supercapacitor (ASC), coupled with activated carbon (AC) as a counter electrode material. The introduction of V-GNs leads to dense growth of nanocrystalline ?-Ni(OH){sub 2} that is confirmed by X-ray diffraction, transmission electron microscopic and scanning electron microscopic analyses. The electrochemical performances of the Ni(OH){sub 2}/GNs/NF electrode are characterized by cyclic voltammetry and chargedischarge tests, which exhibit high specific capacitance of 2215 F g{sup ?1} at a scan current density of 2.3 A g{sup ?1}, enhanced cycling stability and high rate capability. The Ni(OH){sub 2}/GNs/NF-AC-based ASC can achieve a cell voltage of 1.4 V and a specific energy density of 11.11 Wh kg{sup ?1} at 0.5 mA cm{sup ?2} with a nearly 100% coulombic efficiency at room temperature.

  2. FT-IR study of CO2 interaction with Na-rich montmorillonite

    SciTech Connect (OSTI)

    Krukowski, Elizabeth G.; Goodman, Angela; Rother, Gernot; Ilton, Eugene S.; Guthrie, George; Bodnar, Robert J.

    2015-05-27

    Here, carbon capture, utilization and storage (CCUS) in saline reservoirs in sedimentary formations has the potential to reduce the impact of fossil fuel combustion on climate change by reducing CO2 emissions to the atmosphere and storing the CO2 in geologic formations in perpetuity. At pressure and temperature (PT) conditions relevant to CCUS, CO2 is less dense than the pre-existing brine in the formation, and the more buoyant CO2 will migrate to the top of the formation where it will be in contact with cap rock. Interactions between clay-rich shale cap rocks and CO2 are poorly understood at PT conditions appropriate for CCUS in saline formations. In this study, the interaction of CO2 with clay minerals in the cap rock overlying a saline formation has been examined using Na+ exchanged montmorillonite (Mt) (Na+-STx-1) (Na+ Mt) as an analog for clay-rich shale. Attenuated Total Reflectance-Fourier Transform Infrared Spectroscopy (ATR-FTIR) was used to discern mechanistic information for CO2 interaction with hydrated (both one- and two-water layers) and relatively dehydrated (both dehydrated layers and one-water layers) Na+-STx-1 at 35 °C and 50 C and CO2 pressure from 0 5.9 MPa. CO2-induced perturbations associated with the water layer and Na+-STx-1 vibrational modes such as AlAlOH and AlMgOH were examined. Data indicate that CO2 is preferentially incorporated into the interlayer space, with relatively dehydrated Na+-STx-1 capable of incorporating more CO2 compared to hydrated Na+-STx-1. Spectroscopic data provide no evidence of formation of carbonate minerals or the interaction of CO2 with sodium cations in the Na+-STx-1 structure.

  3. Facile approach to prepare hollow coreshell NiO microspherers for supercapacitor electrodes

    SciTech Connect (OSTI)

    Han, Dandan; Xu, Pengcheng; Jing, Xiaoyan; Wang, Jun; Song, Dalei; Liu, Jingyuan; Zhang, Milin

    2013-07-15

    A facile lamellar template method (see image) has been developed for the preparation of uniform hollow coreshell structure NiO (HCSNiO) with a nanoarchitectured wall structure. The prepared NiO was found to be highly crystalline in uniform microstructures with high specific surface area and pore volume. The results indicated that ethanol interacted with trisodium citrate played an important role for the formation of hollow coreshell spheres. On the basis of the analysis of the composition and the morphology, a possible formation mechanism was investigated. NiO microspheres with hollow coreshell showed excellent capacitive properties. The exceptional cyclic, structural and electrochemical stability with ?95% coulombic efficiency, and very low ESR value from impedance measurements promised good utility value of hollow coreshell NiO material in fabricating a wide range of high-performance electrochemical supercapacitors. - The hollow coreshell NiO was prepared with a facile lamellar template method. The prepared NiO show higher capacitance, lower ion diffusion resistance and better electroactive surface utilization for Faradaic reactions. - Highlights: Formation of hollow coreshell NiO via a novel and facile precipitation route. Exhibited uniform feature sizes and high surface area of hollow coreshell NiO. Synthesized NiO has high specific capacitance ( 448 F g{sup 1}) and very low ESR value. Increased 20% of long life cycles capability after 500 chargedischarge cycles.

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

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

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

    2015-08-10

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

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

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

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

    2016-05-20

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

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

    SciTech Connect (OSTI)

    Zhang, Ding; Han, Xiaoyan; Newaz, Golam

    2014-02-18

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

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

    SciTech Connect (OSTI)

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

    2015-10-15

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

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

    SciTech Connect (OSTI)

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

    2008-08-31

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

  9. Low temperature spin dynamics in Cr{sub 7}Ni-Cu-Cr{sub 7}Ni coupled molecular rings

    SciTech Connect (OSTI)

    Bordonali, L.; Furukawa, Y.; Mariani, M.; Sabareesh, K. P. V.; Garlatti, E.; Borsa, F.

    2014-05-07

    Proton Nuclear Magnetic Resonance (NMR) relaxation measurements have been performed down to very low temperature (50 mK) to determine the effect of coupling two Cr{sub 7}Ni molecular rings via a Cu{sup 2+} ion. No difference in the spin dynamics was found from nuclear spin lattice relaxation down to 1.5 K. At lower temperature, the {sup 1}H-NMR line broadens dramatically indicating spin freezing. From the plot of the line width vs. magnetization, it is found that the freezing temperature is higher (260 mK) in the coupled ring with respect to the single Cr{sub 7}Ni ring (140 mK)

  10. Room temperature synthesis of Ni-based alloy nanoparticles by radiolysis.

    SciTech Connect (OSTI)

    Nenoff, Tina Maria; Berry, Donald T.; Lu, Ping; Leung, Kevin; Provencio, Paula Polyak; Stumpf, Roland Rudolph; Huang, Jian Yu; Zhang, Zhenyuan

    2009-09-01

    Room temperature radiolysis, density functional theory, and various nanoscale characterization methods were used to synthesize and fully describe Ni-based alloy nanoparticles (NPs) that were synthesized at room temperature. These complementary methods provide a strong basis in understanding and describing metastable phase regimes of alloy NPs whose reaction formation is determined by kinetic rather than thermodynamic reaction processes. Four series of NPs, (Ag-Ni, Pd-Ni, Co-Ni, and W-Ni) were analyzed and characterized by a variety of methods, including UV-vis, TEM/HRTEM, HAADF-STEM and EFTEM mapping. In the first focus of research, AgNi and PdNi were studied. Different ratios of Ag{sub x}- Ni{sub 1-x} alloy NPs and Pd{sub 0.5}- Ni{sub 0.5} alloy NP were prepared using a high dose rate from gamma irradiation. Images from high-angle annular dark-field (HAADF) show that the Ag-Ni NPs are not core-shell structure but are homogeneous alloys in composition. Energy filtered transmission electron microscopy (EFTEM) maps show the homogeneity of the metals in each alloy NP. Of particular interest are the normally immiscible Ag-Ni NPs. All evidence confirmed that homogeneous Ag-Ni and Pd-Ni alloy NPs presented here were successfully synthesized by high dose rate radiolytic methodology. A mechanism is provided to explain the homogeneous formation of the alloy NPs. Furthermore, studies of Pd-Ni NPs by in situ TEM (with heated stage) shows the ability to sinter these NPs at temperatures below 800 C. In the second set of work, CoNi and WNi superalloy NPs were attempted at 50/50 concentration ratios using high dose rates from gamma irradiation. Preliminary results on synthesis and characterization have been completed and are presented. As with the earlier alloy NPs, no evidence of core-shell NP formation occurs. Microscopy results seem to indicate alloying occurred with the CoNi alloys. However, there appears to be incomplete reduction of the Na{sub 2}WO{sub 4} to form the W

  11. PT AND PT/NI "NEEDLE" ELETROCATALYSTS ON CARBON NANOTUBES WITH HIGH ACTIVITY FOR THE ORR

    SciTech Connect (OSTI)

    Colon-Mercado, H.

    2011-11-10

    Platinum and platinum/nickel alloy electrocatalysts supported on graphitized (gCNT) or nitrogen doped carbon nanotubes (nCNT) are prepared and characterized. Pt deposition onto carbon nanotubes results in Pt 'needle' formations that are 3.5 nm in diameter and {approx}100 nm in length. Subsequent Ni deposition and heat treatment results in PtNi 'needles' with an increased diameter. All Pt and Pt/Ni materials were tested as electrocatalysts for the oxygen reduction reaction (ORR). The Pt and Pt/Ni catalysts showed excellent performance for the ORR, with the heat treated PtNi/gCNT (1.06 mA/cm{sup 2}) and PtNi/nCNT (0.664 mA/cm{sup 2}) showing the highest activity.

  12. Prompt Proton Decay and Deformed Bands in 56Ni

    SciTech Connect (OSTI)

    Johansson, E. K.; Rudolph, D.; Andersson, L. L.; Torres, D. A.; Ragnarsson, I.; Andreoiu, C.; Baktash, Cyrus; Carpenter, M. P.; Charity, R. J.; Chiara, C. J.; Ekman, J.; Fahlander, C.; Hoel, C.; Pechenaya, O. L.; Reviol, W.; du Rietz, R.; Sarantites, D. G.; Seweryniak, D.; Sobotka, L. G.; Yu, Chang-Hong; Zhu, S.

    2008-06-01

    High-spin states in the doubly magic N=Z nucleus {sup 56}Ni have been investigated with three fusion-evaporation reaction experiments. New {gamma}-ray transitions are added, and a confirmation of a previously suggested prompt proton decay from a rotational band in {sup 56}Ni into the ground state of {sup 55}Co is presented. The rotational bands in {sup 56}Ni are discussed within the framework of cranked Nilsson-Strutinsky calculations.

  13. Structural and Mssbauer spectroscopic study of Fe-Ni alloy nanoparticles

    SciTech Connect (OSTI)

    Kumar, Asheesh; Banerjee, S. Sudarsan, V.; Meena, S. S.

    2014-04-24

    Nano-crystalline Fe-Ni alloys have been synthesized in ethylene glycol medium. Based on XRD studies it is confirmed that, in these alloys Fe atoms are incorporated at Ni site to form Ni-Fe solid solutions. Mssbauer studies have established that for alloy particles having smaller size there is significant concentration of two different types of paramagnetic Fe species and their relative concentration decreased with increase in particle size.

  14. Effect of Cu addition on the martensitic transformation of powder metallurgy processed Ti–Ni alloys

    SciTech Connect (OSTI)

    Kim, Yeon-wook; Choi, Eunsoo

    2014-10-15

    Highlights: • M{sub s} of Ti{sub 50}Ni{sub 50} powders is 22 °C, while M{sub s} of SPS-sintered porous bulk increases up to 50 °C. • M{sub s} of Ti{sub 50}Ni{sub 40}Cu{sub 20} porous bulk is only 2 °C higher than that of the powders. • Recovered stain of porous TiNi and TiNiCu alloy is more than 1.5%. - Abstract: Ti{sub 50}Ni{sub 50} and Ti{sub 50}Ni{sub 30}Cu{sub 20} powders were prepared by gas atomization and their transformation behaviors were examined by means of differential scanning calorimetry and X-ray diffraction. One-step B2–B19’ transformation occurred in Ti{sub 50}Ni{sub 50} powders, while Ti{sub 50}Ni{sub 30}Cu{sub 20} powders showed B2–B19 transformation behavior. Porous bulks with 24% porosity were fabricated by spark plasma sintering. The martensitic transformation start temperature (50 °C) of Ti{sub 50}Ni{sub 50} porous bulk is much higher than that (22 °C) of the as-solidified powders. However, the martensitic transformation start temperature (35 °C) of Ti{sub 50}Ni{sub 30}Cu{sub 20} porous bulk is almost the same as that (33 °C) of the powders. When the specimens were compressed to the strain of 8% and then unloaded, the residual strains of Ti{sub 50}Ni{sub 50} and Ti{sub 50}Ni{sub 30}Cu{sub 20} alloy bulks were 3.95 and 3.7%, respectively. However, these residual strains were recovered up to 1.7% after heating by the shape memory phenomenon.

  15. Self-assembled Ni/TiO{sub 2} nanocomposite anodes synthesized...

    Office of Scientific and Technical Information (OSTI)

    Ni(core)TiOsub 2(shell) nanocomposite anodes were fabricated on three-dimensional, self-assembled nanotemplates of Tobacco mosaic virus using atomic layer deposition, exhibiting ...

  16. Simple route for the synthesis of supercapacitive Co-Ni mixed hydroxide thin films

    SciTech Connect (OSTI)

    Dubal, D.P.; Department of Materials Science and Engineering, Gwangju Institute of Science and Technology, 261 Cheomdan-gwagiro, Buk-gu, Gwangju 500-712 ; Jagadale, A.D.; Patil, S.V.; Lokhande, C.D.

    2012-05-15

    Highlights: Black-Right-Pointing-Pointer Novel method for deposition of Co-Ni mixed hydroxide. Black-Right-Pointing-Pointer Nanoparticle network of Co-Ni hydroxide. Black-Right-Pointing-Pointer High specific capacitance of 672 F g{sup -1}. Black-Right-Pointing-Pointer High discharge/charge rates. -- Abstract: Facile synthesis of Co-Ni mixed hydroxides films with interconnected nanoparticles networks through two step route is successfully established. These films have been characterized by X-ray diffraction (XRD), Fourier transform infrared technique (FTIR), scanning electron microscopy (SEM) and wettability test. Co-Ni film formation is confirmed from XRD and FTIR study. SEM shows that the surface of Co-Ni films is composed of interconnected nanoparticles. Contact angle measurement revealed the hydrophilic nature of films which is feasible for the supercapacitor. The electrochemical performance of the film is evaluated by cyclic voltammetry, and constant-current charge/discharge cycling techniques. Specific capacitance of the Co-Ni mixed hydroxide electrode achieved 672 F g{sup -1}. Impedance analysis shows that Co-Ni mixed hydroxide electrode provides less resistance for the intercalation and de-intercalation of ions. The Co-Ni mixed electrode exhibited good charge/discharge rate at different current densities. The results demonstrated that Co-Ni mixed hydroxide composite is very promising for the next generation high performance electrochemical supercapacitors.

  17. Ductile Ni.sub.3 Al alloys as bonding agents for ceramic materials

    DOE Patents [OSTI]

    Tiegs, Terry N.; McDonald, Robert R.

    1990-01-01

    An improved ceramic-metal composite comprising a mixture of a ceramic material with a ductile intermetallic alloy, preferably Ni.sub.3 Al.

  18. Ductile Ni[sub 3]Al alloys as bonding agents for ceramic materials in cutting tools

    DOE Patents [OSTI]

    Tiegs, T.N.; McDonald, R.R.

    1991-05-14

    An improved ceramic-metal composite comprising a mixture of a ceramic material with a ductile intermetallic alloy, preferably Ni[sub 3]Al is disclosed. 2 figures.

  19. Ductile Ni.sub.3 Al alloys as bonding agents for ceramic materials in cutting tools

    DOE Patents [OSTI]

    Tiegs, Terry N.; McDonald, Robert R.

    1991-01-01

    An improved ceramic-metal composite comprising a mixture of a ceramic material with a ductile intermetallic alloy, preferably Ni.sub.3 Al.

  20. Ductile Ni[sub 3]Al alloys as bonding agents for ceramic materials

    DOE Patents [OSTI]

    Tiegs, T.N.; McDonald, R.R.

    1990-04-24

    An improved ceramic-metal composite is described comprising a mixture of a ceramic material with a ductile intermetallic alloy, preferably Ni[sub 3]Al. 2 figs.

  1. SF6432-NI Fixed Price Contracts with the Newly Independent States...

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

    ... SITES (a) Permission to enter U.S. Government sites shall ... SF 6432-NI Title: Standard Terms & Conditions for Fixed ... premises are subject to search. (e) Contractor will ...

  2. SF6432-NI Fixed Price Contracts with the Newly Independent States...

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

    ... SITES Permission to enter U.S. Government sites shall ... premises are subject to search. (e) Contractor will ... Control : SF 6432-NI Title: Standard Terms & Conditions for ...

  3. Interfacial engineering of solution-processed Ni nanochain-SiOx...

    Office of Scientific and Technical Information (OSTI)

    Title: Interfacial engineering of solution-processed Ni ... 03755, USA Department of Chemical and Materials ... Type: Publisher's Accepted Manuscript Journal Name: Journal ...

  4. NiSource Energy Technologies Inc.: System Integration of Distributed Power for Complete Building Systems

    SciTech Connect (OSTI)

    Not Available

    2003-10-01

    Summarizes NiSource Energy Technologies' work under contract to DOE's Distribution and Interconnection R&D. Includes studying distributed generation interconnection issues and CHP system performance.

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

    SciTech Connect (OSTI)

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

    2005-01-15

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

  6. Blending Cr2O3 into a NiO-Ni electrocatalyst for sustained water splitting

    SciTech Connect (OSTI)

    Gong, Ming; Zhou, Wu; Kenney, Michael James; Kapusta, Rich; Cowley, Sam; Wu, Yingpeng; Lu, Bingan; Lin, Meng -Chang; Wang, Di -Yan; Yang, Jiang; Hwang, Bing -Joe; Dai, Hongjie

    2015-08-24

    The rising H2 economy demands active and durable electrocatalysts based on low-cost, earth-abundant materials for water electrolysis/photolysis. Here we report nanoscale Ni metal cores over-coated by a Cr2O3-blended NiO layer synthesized on metallic foam substrates. The Ni@NiO/Cr2O3 triphase material exhibits superior activity and stability similar to Pt for the hydrogen-evolution reaction in basic solutions. The chemically stable Cr2O3 is crucial for preventing oxidation of the Ni core, maintaining abundant NiO/Ni interfaces as catalytically active sites in the heterostructure and thus imparting high stability to the hydrogen-evolution catalyst. The highly active and stable electrocatalyst enables an alkaline electrolyzer operating at 20 mA cm2 at a voltage lower than 1.5 V, lasting longer than 3 weeks without decay. Thus, the non-precious metal catalysts afford a high efficiency of about 15 % for light-driven water splitting using GaAs solar cells.

  7. Hydrogen production via reforming of biogas over nanostructured Ni/Y catalyst: Effect of ultrasound irradiation and Ni-content on catalyst properties and performance

    SciTech Connect (OSTI)

    Sharifi, Mahdi; Haghighi, Mohammad; Abdollahifar, Mozaffar

    2014-12-15

    Highlights: • Synthesis of nanostructured Ni/Y catalyst by sonochemical and impregnation methods. • Enhancement of size distribution and active phase dispersion by employing sonochemical method. • Evaluation of biogas reforming over Ni/Y catalyst with different Ni-loadings. • Preparation of highly active and stable catalyst with low Ni content for biogas reforming. • Getting H{sub 2}/CO very close to equilibrium ratio by employing sonochemical method. - Abstract: The effect of ultrasound irradiation and various Ni-loadings on dispersion of active phase over zeolite Y were evaluated in biogas reforming for hydrogen production. X-ray diffraction, field emission scanning electron microscopy, energy dispersive X-ray, Brunauer–Emmett–Teller, Fourier transform infrared analysis and TEM analysis were employed to observe the characteristics of nanostructured catalysts. The characterizations implied that utilization of ultrasound irradiation enhanced catalyst physicochemical properties including high dispersion of Ni on support, smallest particles size and high catalyst surface area. The reforming reactions were carried out at GHSV = 24 l/g.h, P = 1 atm, CH{sub 4}/CO{sub 2} = 1 and temperature range of 550–850 °C. Activity test displayed that ultrasound irradiated Ni(5 wt.%)/Y had the best performance and the activity remained stable during 600 min. Furthermore, the proposed reaction mechanism showed that there are three major reaction channels in biogas reforming.

  8. Investigation of defect clusters in ion-irradiated Ni and NiCo using diffuse X-ray scattering and electron microscopy

    SciTech Connect (OSTI)

    Olsen, Raina J.; Jin, Ke; Lu, Chenyang; Beland, Laurent K.; Wang, Lumin M.; Bei, Hongbin; Specht, Eliot D.; Larson, Bennett C.

    2016-01-01

    The nature of defect clusters in Ni and Ni$_{50}$Co$_{50}$ (NiCo) irradiated at room temperature with 2–16 MeV Ni ions is studied using asymptotic diffuse X-ray scattering and transmission electron microscopy (TEM). Analysis of the scattering data provides separate size distributions for vacancy and interstitial type defect clusters, showing that both types of defect clusters have a smaller size and higher density in NiCo than in Ni. Diffuse scattering results show good quantitative agreement with TEM results for cluster sizes greater than 4 nm diameter, but find that the majority of vacancy clusters are under 2 nm in NiCo, which, if not detected, would lead to the conclusion that defect density was actually lower in the alloy. Interstitial dislocation loops and stacking fault tetrahedra are identified by TEM. Lastly comparison of diffuse scattering lineshapes to those calculated for dislocation loops and SFTs indicates that most of the vacancy clusters are SFTs.

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

    SciTech Connect (OSTI)

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

    2015-11-23

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

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

    SciTech Connect (OSTI)

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

    2007-11-30

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

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

    SciTech Connect (OSTI)

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

    2012-05-01

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

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

    SciTech Connect (OSTI)

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

    2009-05-04

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

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

    SciTech Connect (OSTI)

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

    1995-12-31

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

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

    SciTech Connect (OSTI)

    Joan Thomas; Michael Kelley

    2007-06-18

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

  15. Improved synthesis and crystal structure of the flexible pillared layer porous coordination polymer: Ni(1,2-bis(4-pyridyl)ethylene)[Ni(CN)4

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

    Wong-Ng, W.; Culp, J. T.; Chen, Y. S.; Zavalij, P.; Espinal, L.; Siderius, D. W.; Allen, A. J.; Scheins, S.; Matranga, C.

    2013-01-01

    This paper reports our synthesis of flexible coordination polymer, Ni(L)[Ni(CN)4], (L = 1,2-bis(4-pyridyl)ethylene (nicknamed bpene)), and its structural characterization using synchrotron single crystal X-ray diffraction. The structure of the purplish crystals has been determined to be monoclinic, space group P21/m, a = 13.5941(12) Å, b = 14.3621(12) Å, c = 14.2561(12) Å, β = 96.141(2)°, V = 2767.4(4) Å3, Z = 4, Dc = 1.46 g cm-1. Ni(bpene)[Ni(CN)4] assumes a pillared layer structure with layers defined by Ni[Ni(CN)4]n nets and bpene ligands acting as pillars. With the present crystallization technique which involves the use of concentrated ammonium hydroxide solution andmore » dimethyl sulfoxide (DMSO), disordered free bpene ligands and solvents of crystallization (DMSO and water molecules) occupy the pores, resulting in a formula of Ni(bpene)[Ni(CN)4](1/2)bpene∙DMSO2H2O, or Ni2N7C24H25SO3. Without the inclusion of free bpene ligands and solvent molecules, the free volume is approximately 61% of the total volume; this free volume fraction is reduced to 50% with the free ligands present. Pores without the free ligands were found to have a local diameter of 5.7 Å and a main aperture of 3.5 Å. Based on the successful crystal synthesis, we also devised a new bulk synthetic technique which yielded a polycrystalline material with a significantly improved CO2 uptake as compared to the originally reported powder material. The improved synthetic technique yielded a polycrystalline material with 40% higher CO2 uptake compared to the previously reported powder material. An estimated 14.4 molecules of CO2 per unit cell was obtained.« less

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

    SciTech Connect (OSTI)

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

    2013-01-01

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

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

    SciTech Connect (OSTI)

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

    2014-06-20

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

  18. Effect of the accumulation of excess Ni atoms in the crystal structure of the intermetallic semiconductor n-ZrNiSn

    SciTech Connect (OSTI)

    Romaka, V. A.; Rogl, P.; Romaka, V. V.; Stadnyk, Yu. V.; Hlil, E. K.; Krajovskii, V. Ya.; Horyn, A. M.

    2013-07-15

    The crystal structure, electron density distribution, and energy, kinetic, and magnetic properties of the n-ZrNiSn intermetallic semiconductor heavily doped with a Ni impurity are investigated. The effect of the accumulation of an excess number of Ni{sub 1+x} atoms in tetrahedral interstices of the crystal structure of the semiconductor is found and the donor nature of such structural defects that change the properties of the semiconductor is established. The results obtained are discussed within the Shklovskii-Efros model of a heavily doped and strongly compensated semiconductor.

  19. Improved oxidation sulfidation resistance of Fe-Cr-Ni alloys

    DOE Patents [OSTI]

    Natesan, K.; Baxter, D.J.

    1983-07-26

    High temperature resistance of Fe-Cr-Ni alloy compositions to oxidative and/or sulfidative conditions is provided by the incorporation of about 1 to 8 wt % of Zr or Nb and results in a two-phase composition having an alloy matrix as the first phase and a fine grained intermetallic composition as the second phase. The presence and location of the intermetallic composition between grains of the matrix provides mechanical strength, enhanced surface scale adhesion, and resistance to corrosive attack between grains of the alloy matrix at temperatures of 500 to 1000/sup 0/C.

  20. Oxidation sulfidation resistance of Fe-Cr-Ni alloys

    DOE Patents [OSTI]

    Natesan, Ken; Baxter, David J.

    1984-01-01

    High temperature resistance of Fe-Cr-Ni alloy compositions to oxidative and/or sulfidative conditions is provided by the incorporation of about 1-8 wt. % of Zr or Nb and results in a two-phase composition having an alloy matrix as the first phase and a fine grained intermetallic composition as the second phase. The presence and location of the intermetallic composition between grains of the matrix provides mechanical strength, enhanced surface scale adhesion, and resistance to corrosive attack between grains of the alloy matrix at temperatures of 500.degree.-1000.degree. C.

  1. Cu-Ni-Fe anodes having improved microstructure

    DOE Patents [OSTI]

    Bergsma, S. Craig; Brown, Craig W.

    2004-04-20

    A method of producing aluminum in a low temperature electrolytic cell containing alumina dissolved in an electrolyte. The method comprises the steps of providing a molten electrolyte having alumina dissolved therein in an electrolytic cell containing the electrolyte. A non-consumable anode and cathode is disposed in the electrolyte, the anode comprised of Cu--Ni--Fe alloys having single metallurgical phase. Electric current is passed from the anode, through the electrolyte to the cathode thereby depositing aluminum on the cathode, and molten aluminum is collected from the cathode.

  2. Stable atomic structure of NiTi austenite

    SciTech Connect (OSTI)

    Zarkevich, Nikolai A; Johnson, Duane D

    2014-08-01

    Nitinol (NiTi), the most widely used shape-memory alloy, exhibits an austenite phase that has yet to be identified. The usually assumed austenitic structure is cubic B2, which has imaginary phonon modes, hence it is unstable. We suggest a stable austenitic structure that on average has B2 symmetry (observed by x-ray and neutron diffraction), but it exhibits finite atomic displacements from the ideal B2 sites. The proposed structure has a phonon spectrum that agrees with that from neutron scattering, has diffraction spectra in agreement with x-ray diffraction, and has an energy relative to the ground state that agrees with calorimetry data.

  3. Visualizing the Surface Infrastructure Used to Move 2 MtCO2/year from the Dakota Gasification Company to the Weyburn CO2 Enhanced Oil Recovery Project: Version of July 1, 2009

    SciTech Connect (OSTI)

    Dooley, James J.

    2009-07-09

    Google Earth Pro has been employed to create an interactive flyover of the world’s largest operational carbon dioxide capture and storage project. The visualization focuses on the transport and storage of 2 MtCO2/year which is captured from the Dakota Gasification Facility (Beula, North Dakota) and transported 205 miles and injected into the Weyburn oil field in Southeastern Saskatchewan.

  4. Mo{sub 2}NiB{sub 2}-type (Gd, Tb, Dy){sub 2}Ni{sub 2.35}Si{sub 0.65} and La{sub 2}Ni{sub 3}-type (Dy, Ho){sub 2}Ni{sub 2.5}Si{sub 0.5} compounds: Crystal structure and magnetic properties

    SciTech Connect (OSTI)

    Morozkin, A.V.; Isnard, O.; Nirmala, R.; Malik, S.K.

    2015-05-15

    The crystal structure of new Mo{sub 2}NiB{sub 2}-type (Gd, Tb, Dy){sub 2}Ni{sub 2.35}Si{sub 0.65} (Immm, No. 71, oI10) and La{sub 2}Ni{sub 3}-type (Dy, Ho){sub 2}Ni{sub 2.5}Si{sub 0.5} (Cmce No. 64, oC20) compounds has been established using powder X-ray diffraction studies. Magnetization measurements show that the Mo{sub 2}NiB{sub 2}-type Gd{sub 2}Ni{sub 2.35}Si{sub 0.65} undergoes a ferromagnetic transition at ~66 K, whereas isostructural Tb{sub 2}Ni{sub 2.35}Si{sub 0.65} shows an antiferromagnetic transition at ~52 K and a field-induced metamagnetic transition at low temperatures. Neutron diffraction study shows that, in zero applied field, Tb{sub 2}Ni{sub 2.35}Si{sub 0.65} exhibits c-axis antiferromagnetic order with propagation vector K=[1/2, 0, 1/2] below its magnetic ordering temperature and Tb magnetic moment reaches a value of 8.32(5) μ{sub B} at 2 K. The La{sub 2}Ni{sub 3}-type Dy{sub 2}Ni{sub 2.5}Si{sub 0.5} exhibits ferromagnetic like transition at ~42 K with coexisting antiferromagnetic interactions and field induced metamagnetic transition below ~17 K. The magnetocaloric effect of Gd{sub 2}Ni{sub 2.35}Si{sub 0.65}, Tb{sub 2}Ni{sub 2.35}Si{sub 0.65} and Dy{sub 2}Ni{sub 2.5}Si{sub 0.5} is calculated in terms of isothermal magnetic entropy change and it reaches a maximum value of −14.3 J/kg K, −5.3 J/kg K and −10.3 J/kg K for a field change of 50 kOe near 66 K, 52 K and 42 K, respectively. Low temperature magnetic ordering with enhanced anisotropic effects in Tb{sub 2}Ni{sub 2.35}Si{sub 0.65} and Dy{sub 2}Ni{sub 2.35}Si{sub 0.65} is accompanied by a positive magnetocaloric effect with isothermal magnetic entropy changes of +12.8 J/kg K and ~+9.9 J/kg K, respectively at 7 K for a field change of 50 kOe. - Graphical abstract: The (Gd, Tb, Dy){sub 2}Ni{sub 2.35}Si{sub 0.65} supplement the series of Mo{sub 2}NiB{sub 2}-type rare earth compounds, whereas the (Dy, Ho){sub 2}Ni{sub 2.5}Si{sub 0.5} supplement the series of La{sub 2}Ni{sub 3}-type rare

  5. Deformations and magnetic rotations in the {sup 60}Ni nucleus

    SciTech Connect (OSTI)

    Torres, D. A.; Cristancho, F.; Andersson, L.-L.; Johansson, E. K.; Rudolph, D.; Fahlander, C.; Ekman, J.; Rietz, R. du; Andreoiu, C.; Carpenter, M. P.; Seweryniak, D.; Zhu, S.; Charity, R. J.; Chiara, C. J.; Hoel, C.; Pechenaya, O. L.; Reviol, W.; Sarantites, D. G.; Sobotka, L. G.; Baktash, C.

    2008-11-15

    Data from three experiments using the heavy-ion fusion evaporation-reaction {sup 36}Ar+{sup 28}Si have been combined to study high-spin states in the residual nucleus {sup 60}Ni, which is populated via the evaporation of four protons from the compound nucleus {sup 64}Ge. The GAMMASPHERE array was used for all the experiments in conjunction with a 4{pi} charged-particle detector arrays (MICROBALL, LUWUSIA) and neutron detectors (NEUTRON SHELL) to allow for the detection of {gamma} rays in coincidence with the evaporated particles. An extended {sup 60}Ni level scheme is presented, comprising more than 270{gamma}-ray transitions and 110 excited states. Their spins and parities have been assigned via directional correlations of {gamma} rays emitted from oriented states. Spherical shell-model calculations in the fp-shell characterize some of the low-spin states, while the experimental results of the rotational bands are analyzed with configuration-dependent cranked Nilsson-Strutinsky calculations.

  6. Doubly-magic nature of {sup 56}Ni: Measurement of the ground state nuclear magnetic dipole moment of {sup 55}Ni

    SciTech Connect (OSTI)

    Berryman, J. S.; Crawford, H. L.; Mantica, P. F.; Stoker, J. B.; Minamisono, K.; Grinyer, G. F.; Rogers, W. F.; Brown, B. A.; Towner, I. S.

    2009-06-15

    The nuclear magnetic moment of the ground state of {sup 55}Ni (I{sup {pi}}=3/2{sup -}, T{sub 1/2}=204 ms) has been deduced to be |{mu}({sup 55}Ni)|=(0.976{+-}0.026) {mu}{sub N} using the {beta}-ray detecting nuclear magnetic resonance technique. Results of a shell model calculation in the full fp shell model space with the GXPF1 interaction reproduce the experimental value. Together with the known magnetic moment of the mirror partner {sup 55}Co, the isoscalar spin expectation value was extracted as <{sigma}{sigma}{sub z}>=0.91{+-}0.07. The <{sigma}{sigma}{sub z}> shows a trend similar to that established in the sd shell. The present theoretical interpretations of both {mu}({sup 55}Ni) and <{sigma}{sigma}{sub z}> for the T=1/2, A=55 mirror partners support the softness of the {sup 56}Ni core.

  7. Method For Making Electronic Circuits Having Nial And Ni3al Substrates

    DOE Patents [OSTI]

    Deevi, Seetharama C.; Sikka, Vinod K.

    2001-01-30

    A method for making electronic circuit component having improved mechanical properties and thermal conductivity comprises steps of providing NiAl and/or Ni.sub.3 Al, and forming an alumina layer thereupon prior to applying the conductive elements. Additional layers of copper-aluminum alloy or copper further improve mechanical strength and thermal conductivity.

  8. Features of primary damage by high energy displacement cascades in concentrated Ni-based alloys

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

    Béland, Laurent Karim; Lu, Chenyang; Osetskiy, Yuri N.; Samolyuk, German D.; Caro, Alfredo; Wang, Lumin; Stoller, Roger E.

    2016-02-25

    Alloying of Ni with Fe or Co reduces primary damage production under ion irradiation. Similar results have been obtained from classical molecular dynamics simulations of 1, 10, 20, and 40 keV collision cascades in Ni, NiFe, and NiCo. In all cases, a mix of imperfect stacking fault tetrahedra, faulted loops with a 1/3 {111} Burgers vector, and glissile interstitial loops with a 1/2 {110} Burgers vector were formed, along with small sessile point defect complexes and clusters. Primary damage reduction occurs by three mechanisms. First, Ni-Co, Ni-Fe, Co-Co, and Fe-Fe short-distance repulsive interactions are stiffer than Ni-Ni interactions, which leadmore » to a decrease in damage formation during the transition from the supersonic ballistic regime to the sonic regime. This largely controls final defect production. Second, alloying decreases thermal conductivity, leading to a longer thermal spike lifetime. The associated annealing reduces final damage production. These two mechanisms are especially important at cascades energies less than 40 keV. Third, at the higher energies, the production of large defect clusters by subcascades is inhibited in the alloys. A number of challenges and limitations pertaining to predictive atomistic modeling of alloys under high-energy particle irradiation are discussed.« less

  9. Nanoscale compositional analysis of NiTi shape memory alloy films deposited by DC magnetron sputtering

    SciTech Connect (OSTI)

    Sharma, S. K.; Mohan, S.; Bysakh, S.; Kumar, A.; Kamat, S. V.

    2013-11-15

    The formation of surface oxide layer as well as compositional changes along the thickness for NiTi shape memory alloy thin films deposited by direct current magnetron sputtering at substrate temperature of 300 °C in the as-deposited condition as well as in the postannealed (at 600 °C) condition have been thoroughly studied by using secondary ion mass spectroscopy, x-ray photoelectron spectroscopy, and scanning transmission electron microscopy-energy dispersive x-ray spectroscopy techniques. Formation of titanium oxide (predominantly titanium dioxide) layer was observed in both as-deposited and postannealed NiTi films, although the oxide layer was much thinner (8 nm) in as-deposited condition. The depletion of Ti and enrichment of Ni below the oxide layer in postannealed films also resulted in the formation of a graded microstructure consisting of titanium oxide, Ni{sub 3}Ti, and B2 NiTi. A uniform composition of B2 NiTi was obtained in the postannealed film only below a depth of 200–250 nm from the surface. Postannealed film also exhibited formation of a ternary silicide (Ni{sub x}Ti{sub y}Si) at the film–substrate interface, whereas no silicide was seen in the as-deposited film. The formation of silicide also caused a depletion of Ni in the film in a region ∼250–300 nm just above the film substrate interface.

  10. Effect of Co/Ni ratios in cobalt nickel mixed oxide catalysts on methane combustion

    SciTech Connect (OSTI)

    Lim, Tae Hwan; Cho, Sung June; Yang, Hee Sung; Engelhard, Mark H.; Kim, Do Heui

    2015-07-31

    A series of cobalt nickel mixed oxide catalysts with the varying ratios of Co to Ni, prepared by co-precipitation method, were applied to methane combustion. Among the various ratios, cobalt nickel mixed oxides having the ratios of Co to Ni of (50:50) and (67:33) demonstrate the highest activity for methane combustion. Structural analysis obtained from X-ray diffraction (XRD) and extended X-ray absorption fine structure (EXAFS) evidently demonstrates that CoNi (50:50) and (67:33) samples consist of NiCo2O4and NiO phase and, more importantly, NiCo2O4spinel structure is largely distorted, which is attributed to the insertion of Ni2+ions into octahedral sites in Co3O4spinel structure. Such structural dis-order results in the enhanced portion of surface oxygen species, thus leading to the improved reducibility of the catalysts in the low temperature region as evidenced by temperature programmed reduction by hydrogen (H2TPR) and X-ray photoelectron spectroscopy (XPS) O 1s results. They prove that structural disorder in cobalt nickel mixed oxides enhances the catalytic performance for methane combustion. Thus, it is concluded that a strong relationship between structural property and activity in cobalt nickel mixed oxide for methane combustion exists and, more importantly, distorted NiCo2O4spinel structure is found to be an active site for methane combustion.

  11. Structure of the NiFe2O4(001) surface in contact with gaseous...

    Office of Scientific and Technical Information (OSTI)

    Structure of the NiFe2O4(001) surface in contact with gaseous O2 and water vapor Citation ... Title: Structure of the NiFe2O4(001) surface in contact with gaseous O2 and water vapor ...

  12. Crystallization study of amorphous sputtered NiTi bi-layer thin film

    SciTech Connect (OSTI)

    Mohri, Maryam; Nili-Ahmadabadi, Mahmoud; Chakravadhanula, Venkata Sai Kiran

    2015-05-15

    The crystallization of Ni-rich/NiTiCu bi-layer thin film deposited by magnetron sputtering from two separate alloy targets was investigated. To achieve the shape memory effect, the NiTi thin films deposited at room temperature with amorphous structure were annealed at 773 K for 15, 30, and 60 min for crystallization. Characterization of the films was carried out by differential scanning calorimetry to indicate the crystallization temperature, grazing incidence X-ray diffraction to identify the phase structures, atomic force microscopy to evaluate surface morphology, scanning transmission electron microscopy to study the cross section of the thin films. The results show that the structure of the annealed thin films strongly depends on the temperature and time of the annealing. Crystalline grains nucleated first at the surface and then grew inward to form columnar grains. Furthermore, the crystallization behavior was markedly affected by composition variations. - Highlights: • A developed bi-layer Ni45TiCu5/Ni50.8Ti was deposited on Si substrate and crystallized. • During crystallization, The Ni{sub 45}TiCu{sub 5} layer is thermally less stable than the Ni-rich layer. • The activation energy is 302 and 464 kJ/mol for Cu-rich and Ni-rich layer in bi-layer, respectively.

  13. Ferromagnetic interactions and martensitic transformation in Fe doped Ni-Mn-In shape memory alloys

    SciTech Connect (OSTI)

    Lobo, D. N.; Priolkar, K. R.; Emura, S.; Nigam, A. K.

    2014-11-14

    The structure, magnetic, and martensitic properties of Fe doped Ni-Mn-In magnetic shape memory alloys have been studied by differential scanning calorimetry, magnetization, resistivity, X-ray diffraction (XRD), and EXAFS. While Ni{sub 2}MnIn{sub 1?x}Fe{sub x} (0???x???0.6) alloys are ferromagnetic and non martensitic, the martensitic transformation temperature in Ni{sub 2}Mn{sub 1.5}In{sub 1?y}Fe{sub y} and Ni{sub 2}Mn{sub 1.6}In{sub 1?y}Fe{sub y} increases for lower Fe concentrations (y???0.05) before decreasing sharply for higher Fe concentrations. XRD analysis reveals presence of cubic and tetragonal structural phases in Ni{sub 2}MnIn{sub 1?x}Fe{sub x} at room temperature with tetragonal phase content increasing with Fe doping. Even though the local structure around Mn and Ni in these Fe doped alloys is similar to martensitic Mn rich Ni-Mn-In alloys, presence of ferromagnetic interactions and structural disorder induced by Fe affect Mn-Ni-Mn antiferromagnetic interactions resulting in suppression of martensitic transformation in these Fe doped alloys.

  14. Fundamental studies of high-temperature corrosion reactions. Sixth annual progress report. [Cu-6% Ni

    SciTech Connect (OSTI)

    Rapp, R.A.

    1981-02-01

    Research was conducted on the sulfidation of pure Mo by sulfur gases at 700 to 950/sup 0/C and on the in-situ oxidation of metals and alloys in the hot-stage SEM. Results on the in-situ oxidation of Cu, Ni, Fe, and Cu-6% Ni up to 930/sup 0/C are reported in detail. 21 figures.

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

    SciTech Connect (OSTI)

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

    2006-06-01

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

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

    SciTech Connect (OSTI)

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

    2015-08-26

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

  17. Flower-like NiO structures: Controlled hydrothermal synthesis and electrochemical characteristic

    SciTech Connect (OSTI)

    Chai, Hui; Chen, Xuan; Key Laboratory of Advanced Functional Materials, Institute of Applied Chemistry, Xinjiang University, Urumqi 830046, Xinjiang ; Jia, Dianzeng; Key Laboratory of Advanced Functional Materials, Institute of Applied Chemistry, Xinjiang University, Urumqi 830046, Xinjiang ; Bao, Shujuan; Key Laboratory of Advanced Functional Materials, Institute of Applied Chemistry, Xinjiang University, Urumqi 830046, Xinjiang ; Zhou, Wanyong

    2012-12-15

    Graphical abstract: Flower-like porous NiO was obtained via thermal decomposition of the precursor prepared by a hydrothermal process using hexamethylenetetramine and polyethylene glycol as hydrolysis-controlling agent and surfactant, respectively. The morphology and microstructure of as-synthesized NiO were characterized by X-ray diffraction (XRD), BrunauerEmmettTeller (BET), scanning electron microscopy (SEM) and transmission electron microscopy (TEM). The results of electrochemical measurements demonstrated that the flower-like porous NiO has high capacity (340 F g{sup ?1}) with excellent cycling performance as electrode materials of electrochemical capacitors (ECs), which may be attributed to the unique microstrcture of NiO. Data analyses indicated that NiO with novel porous structure attractive for practical and large-scale applications in electrochemical capacitors. Display Omitted Highlights: ? Synthesis and characterization of NiO with novel porous structure is presented in this work. ? The electrochemical performance of product was examined. ? NiO with excellent performance as electrode materials may be due to the unique microstrcture. ? NiO with novel porous structure attractive for practical with high capacity (340 F g{sup ?1}). -- Abstract: Flower-like porous NiO was obtained by thermal decomposition of the precursor prepared by a hydrothermal process with hexamethylenetetramine and polyethylene glycol as hydrolysis-controlling agent and surfactant, respectively. The morphology and microstructure of as-synthesized NiO were characterized by X-ray diffraction (XRD), BrunauerEmmettTeller (BET), scanning electron microscopy (SEM) and transmission electron microscopy (TEM). The resulting structures of NiO exhibited porous like petal building blocks. The electrochemical measurements results demonstrated that flower-like porous NiO has high capacity (340 F g{sup ?1}) with excellent cycling performance as electrode materials for electrochemical capacitors

  18. Direct synthesis of porous NiO nanowall arrays on conductive substrates for supercapacitor application

    SciTech Connect (OSTI)

    Zhu, Jianhui; Jiang, Jian; Liu, Jingping; Ding, Ruimin; Ding, Hao; Feng, Yamin; Wei, Guangming; Huang, Xintang

    2011-03-15

    Porous NiO nanowall arrays (NWAs) grown on flexible Fe-Co-Ni alloy have been successfully synthesized by using nullaginite (Ni{sub 2}(OH){sub 2}CO{sub 3}) as precursor and investigated as supercapacitor electrodes. In details, we adopted a simple hydrothermal method to realize Ni{sub 2}(OH){sub 2}CO{sub 3} NWAs and examined their robust mechanical adhesion to substrate via a long-time ultrasonication test. Porous NiO NWAs were then obtained by a post-calcination towards precursors at 500 {sup o}C in nitrogen atmosphere. Electrochemical properties of as-synthesized NiO NWAs were evaluated by cyclic voltammetry and galvanostatic charge/discharge; porous NiO NWAs electrode delivered a specific capacitance of 270 F/g (0.67 A/g); even at high current densities, the electrode could still deliver a high capacitance up to 236 F/g (13.35 A/g). Meanwhile, it exhibited excellent cycle lifetime with {approx}93% specific capacitance kept after 4000 cycles. These results suggest that as-made porous NiO NWAs electrode is a promising candidate for future thin-film supercapacitors and other microelectronic systems. -- Graphical abstract: Porous NiO nanowall arrays (NWAs) grown on alloy substrate have been made using nullaginite as precursor and studied as supercapacitor electrodes. Porous nanowalls interconnected with each other resulting in the formation of extended-network architectures and exhibited excellent capacitor properties. NiO NWAs electrode delivered a capacitance of 270 F/g (0.67 A/g); even at high current density, the electrode could still deliver a high capacitance up to 236 F/g (13.35 A/g). Besides, it exhibited excellent cycle lifetime with {approx}93% capacitance kept after 4000 cycles. These remarkable results made it possible for mass production of NiO NWAs and future thin-film microelectronic applications. Display Omitted Research highlights: {yields} Large-scale nullaginite (Ni{sub 2}(OH){sub 2}CO{sub 3}) nanowall arrays (NWAs) have been synthesized on

  19. Correlating Extent of PtNi Bond Formation with Low-temperature Hydrogenation of Benzene and 1,3-butadiene over Supported Pt/Ni Bimetallic Catalysts

    SciTech Connect (OSTI)

    Lonergan, W.; Vlachos, D; Chen, J

    2010-01-01

    Low-temperature hydrogenation of benzene and 1,3-butadiene on supported Pt/Ni catalysts have been used as probe reactions to correlate hydrogenation activity with the extent of Pt-Ni bimetallic bond formation. Pt/Ni bimetallic and Pt and Ni monometallic catalysts were supported on {gamma}-Al{sub 2}O{sub 3} using incipient wetness impregnation. Two sets of bimetallic catalysts were synthesized: one set to study the effect of metal atomic ratio and the other to study the effect of impregnation sequence. Fourier transform infrared spectroscopy (FTIR) CO adsorption studies were performed to characterize the surface composition of the bimetallic nanoparticles, and transmission electron microscopy (TEM) was utilized to characterize the particle size distribution. Batch reactor studies with FTIR demonstrated that all bimetallic catalysts outperformed monometallic catalysts for both benzene and 1,3-butadiene hydrogenation. Within the two sets of bimetallic catalysts, it was found that catalysts with a smaller Pt:Ni ratio possessed higher hydrogenation activity and that catalysts synthesized using co-impregnation had greater activity than sequentially impregnated catalysts. Extended X-ray absorption fine structure (EXAFS) measurements were performed in order to verify the extent of Pt-Ni bimetallic bond formation, which was found to correlate with the hydrogenation activity.

  20. Investigation of defect clusters in ion-irradiated Ni and NiCo using diffuse X-ray scattering and electron microscopy

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

    Olsen, Raina J.; Jin, Ke; Lu, Chenyang; Beland, Laurent K.; Wang, Lumin M.; Bei, Hongbin; Specht, Eliot D.; Larson, Bennett C.

    2016-01-01

    The nature of defect clusters in Ni and Nimore » $$_{50}$$Co$$_{50}$$ (NiCo) irradiated at room temperature with 2–16 MeV Ni ions is studied using asymptotic diffuse X-ray scattering and transmission electron microscopy (TEM). Analysis of the scattering data provides separate size distributions for vacancy and interstitial type defect clusters, showing that both types of defect clusters have a smaller size and higher density in NiCo than in Ni. Diffuse scattering results show good quantitative agreement with TEM results for cluster sizes greater than 4 nm diameter, but find that the majority of vacancy clusters are under 2 nm in NiCo, which, if not detected, would lead to the conclusion that defect density was actually lower in the alloy. Interstitial dislocation loops and stacking fault tetrahedra are identified by TEM. Lastly comparison of diffuse scattering lineshapes to those calculated for dislocation loops and SFTs indicates that most of the vacancy clusters are SFTs.« less

  1. Growth of c-axis oriented YBaCuO films on oxidized textured Ni sheets and on (100) and (110) oriented NiO single crystals

    SciTech Connect (OSTI)

    Ginsbach, A.; Schneider, R.; Grueninger, H.W.; Grabe, G. )

    1991-03-01

    This paper reports on YBaCuO films grown on oxidized textured Ni sheets and on (100) and (110) oriented NiO single crystals by magnetron sputter deposition from a stoichiometric tubular target. The properties of the YBaCuO films are investigated as function of various preparation parameters (oxidation procedure of the sheets, substrate temperature T{sub s}, HTSC film thickness). At T{sub s} = 780{degrees} C and for film thickness larger than 200 nm, the films have T{sub c} values around 80K. The textures of the Ni sheets, NiO layers and YBaCuO films are determined using X-ray diffraction in Bragg-Brentano geometry and scanning electron microscopy. It is remarkable, that on textured oxidized Ni the YBaCuO films grow c-axis oriented. For comparison the properties of films on differently oriented NiO single crystals are investigated. It is found that the film properties are better on (100) than on (110) surfaces.

  2. Hybrid Composite Ni(OH)(2)@NiCo2O4 Grown on Carbon Fiber Paper for High-Performance Supercapacitors

    SciTech Connect (OSTI)

    Huang, L; Chen, DC; Ding, Y; Wang, ZL; Zeng, ZZ; Liu, ML

    2013-11-13

    We have successfully fabricated and tested the electrochemical performance of supercapacitor electrodes consisting of Ni(OH)(2) nanosheets coated on NiCo2O4 nanosheets grown on carbon fiber paper (CFP) current collectors. When the NiCo2O4 nanosheets are replaced by Co3O4 nanosheets, however, the energy and power density as well as the rate capability of the electrodes are significantly reduced, most likely due to the lower conductivity of Co3O4 than that of NiCo2O4. The 3D hybrid composite Ni(OH)(2)/ NiCo2O4/CFP electrodes demonstrate a high areal capacitance of 5.2 F/cm(2) at a cycling current density of 2 rnA/cm(2), with a capacitance retention of 79% as the cycling current density was increased from 2 to 50 mA/cm(2). The remarkable performance of these hybrid composite electrodes implies that supercapacitors based on them have potential for many practical applications.

  3. Monodisperse core/shell Ni/FePt nanoparticles and their con-version to Ni/Pt to catalyze oxygen reduction

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

    Zhang, Sen; Hao, Yizhou; Su, Dong; Doan-Nguyen, Vicky V. T.; Wu, Yaoting; Li, Jing; Sun, Shouheng; Murray, Christopher B.

    2014-10-28

    We report a size-controllable synthesis of monodisperse core/shell Ni/FePt nanoparticles (NPs) via a seed-mediated growth and their subsequent conversion to Ni/Pt NPs. Preventing surface oxidation of the Ni seeds is essential for the growth of uniform FePt shells. These Ni/FePt NPs have a thin (≈ 1 nm) FePt shell, and can be converted to Ni/Pt by acetic acid wash to yield active catalysts for oxygen reduction reaction (ORR). Tuning the core size allow for optimization of their electrocatalytic activity. The specific activity and mass activity of 4.2 nm/0.8 nm core/shell Ni/FePt reach 1.95 mA/cm² and 490 mA/mgPt at 0.9 Vmore » (vs. reversible hydrogen electrode, RHE), which are much higher than those of benchmark commercial Pt catalyst (0.34 mA/cm² and 92 mA/mgPt at 0.9 V). Our studies provide a robust approach to monodisperse core/shell NPs with non-precious metal core, making it possible to develop advanced NP catalysts with ultralow Pt content for ORR and many other heterogeneous reactions.« less

  4. Monodisperse core/shell Ni/FePt nanoparticles and their con-version to Ni/Pt to catalyze oxygen reduction

    SciTech Connect (OSTI)

    Zhang, Sen; Hao, Yizhou; Su, Dong; Doan-Nguyen, Vicky V. T.; Wu, Yaoting; Li, Jing; Sun, Shouheng; Murray, Christopher B.

    2014-10-28

    We report a size-controllable synthesis of monodisperse core/shell Ni/FePt nanoparticles (NPs) via a seed-mediated growth and their subsequent conversion to Ni/Pt NPs. Preventing surface oxidation of the Ni seeds is essential for the growth of uniform FePt shells. These Ni/FePt NPs have a thin (≈ 1 nm) FePt shell, and can be converted to Ni/Pt by acetic acid wash to yield active catalysts for oxygen reduction reaction (ORR). Tuning the core size allow for optimization of their electrocatalytic activity. The specific activity and mass activity of 4.2 nm/0.8 nm core/shell Ni/FePt reach 1.95 mA/cm² and 490 mA/mgPt at 0.9 V (vs. reversible hydrogen electrode, RHE), which are much higher than those of benchmark commercial Pt catalyst (0.34 mA/cm² and 92 mA/mgPt at 0.9 V). Our studies provide a robust approach to monodisperse core/shell NPs with non-precious metal core, making it possible to develop advanced NP catalysts with ultralow Pt content for ORR and many other heterogeneous reactions.

  5. Monodisperse core/shell Ni/FePt nanoparticles and their con-version to Ni/Pt to catalyze oxygen reduction

    SciTech Connect (OSTI)

    Zhang, Sen; Su, Dong; Doan-Nguyen, Vicky V. T.; Wu, Yaoting; Li, Jing; Sun, Shouheng; Murray, Christopher B.; Hao, Yizhou

    2014-11-12

    We report a size-controllable synthesis of monodisperse core/shell Ni/FePt nanoparticles (NPs) via a seed-mediated growth and their subsequent conversion to Ni/Pt NPs. Preventing surface oxidation of the Ni seeds is essential for the growth of uniform FePt shells. These Ni/FePt NPs have a thin (? 1 nm) FePt shell, and can be converted to Ni/Pt by acetic acid wash to yield active catalysts for oxygen reduction reaction (ORR). Tuning the core size allow for optimization of their electrocatalytic activity. The specific activity and mass activity of 4.2 nm/0.8 nm core/shell Ni/FePt reach 1.95 mA/cm and 490 mA/mgPt at 0.9 V (vs. reversible hydrogen electrode, RHE), which are much higher than those of benchmark commercial Pt catalyst (0.34 mA/cm and 92 mA/mgPt at 0.9 V). Our studies provide a robust approach to monodisperse core/shell NPs with non-precious metal core, making it possible to develop advanced NP catalysts with ultralow Pt content for ORR and many other heterogeneous reactions.

  6. Thermal plasma synthesis of Fe{sub 1?x}Ni{sub x} alloy nanoparticles

    SciTech Connect (OSTI)

    Raut, Suyog A.; Kanhe, Nilesh S.; Bhoraskar, S. V.; Mathe, V. L.; Das, A. K.

    2014-04-24

    Fe-Ni alloy nanoparticles are of great interest because of diverse practical applications in the fields such as magnetic fluids, high density recording media, catalysis and medicine. We report the synthesis of Fe-Ni nanoparticles via thermal plasma route. Thermal plasma assisted synthesis is a high temperature process and gives high yields of production. Here, we have used direct arc thermal plasma plume of 6kw as a source of energy at operating pressure 500 Torr. The mixture of Fe-Ni powder in required proportion (Fe{sub 1?x}Ni{sub x}; x=0.30, 0.32, 0.34, 0.36, 0.38 and 0.40) was made to evaporate simultaneously from the graphite anode in thermal plasma reactor to form Fe-Ni bimetallic nanoparticles. The as synthesized particles were characterized by X-Ray Diffraction (XRD), Thermo-Gravimetric Analysis/Differential Scanning Calorimtry (TGA/DSC)

  7. Near-barrier fusion and barrier distribution of {sup 58}Ni+{sup 54}Fe

    SciTech Connect (OSTI)

    Stefanini, A. M.; Corradi, L.; Fioretto, E.; Silvestri, R.; Singh, Pushpendra P.; Montagnoli, G.; Mason, P.; Scarlassara, F.; Courtin, S.; Goasduff, A.; Haas, F.; Szilner, S.

    2010-03-15

    Near- and sub-barrier fusion cross sections have been measured for the system {sup 58}Ni+{sup 54}Fe, and the fusion barrier distribution has been extracted. The measured cross sections cover the range from approx =1 mub up to around 500 mb. Close analogies are found between the extracted barrier distribution and the available data on {sup 58}Ni+{sup 60}Ni, indicating the dominating influence of complex surface vibrations on the fusion of {sup 58}Ni+{sup 54}Fe. The present data on {sup 58}Ni+{sup 54}Fe are well reproduced by standard coupled-channels calculations in the measured energy range, including quadrupole and octupole phonons in both colliding nuclei.

  8. Ethanol assisted reduction and nucleation of ferromagnetic Co and Ni nanocrystalline particles

    SciTech Connect (OSTI)

    Huba, ZJ; Carpenter, EE

    2013-01-01

    In this report, we demonstrate the ability of ethanol to act as a solvent and reducing agent to nucleate nanocrystalline Co and Ni particles. Under solvothermal conditions, Co and Ni particles can be produced at 200 degrees C. The Ni and Co particles crystallized into FCC and a mixture of FCC and HCP crystal phases, respectively. Ni particles possessed a spherical morphology with diameters in the range of 200 nm to 300 nm. Co particles took on an ellipsoidal morphology, with diameters greater than 500 nm. Magnetizations for the Ni and Co particles were commensurate with bulk values, showing their high crystallinity and the presence of little oxide impurity. By finding inexpensive solvents with a lowered environmental impact, steps towards a "greener" synthetic process for ferromagnetic nanoparticles can be established.

  9. Eutectic bonding of a Ti sputter coated, carbon aerogel wafer to a Ni foil

    SciTech Connect (OSTI)

    Jankowski, A.F.; Hayes, J.P.; Kanna, R.L.

    1994-06-01

    The formation of high energy density, storage devices is achievable using composite material systems. Alternate layering of carbon aerogel wafers and Ni foils with rnicroporous separators is a prospective composite for capacitor applications. An inherent problem exists to form a physical bond between Ni and the porous carbon wafer. The bonding process must be limited to temperatures less than 1000{degrees}C, at which point the aerogel begins to degrade. The advantage of a low temperature eutectic in the Ni-Ti alloy system solves this problem. Ti, a carbide former, is readily adherent as a sputter deposited thin film onto the carbon wafer. A vacuum bonding process is then used to join the Ni foil and Ti coating through eutectic phase formation. The parameters required for successfld bonding are described along with a structural characterization of the Ni foil-carbon aerogel wafer interface.

  10. Hydrothermal synthesis and electrochemical performance of NiO microspheres with different nanoscale building blocks

    SciTech Connect (OSTI)

    Wang Ling; Hao Yanjing; Zhao Yan; Lai Qiongyu; Xu Xiaoyun

    2010-11-15

    NiO microspheres were successfully obtained by calcining the Ni(OH){sub 2} precursor, which were synthesized via the hydrothermal reaction of nickel chloride, glucose and ammonia. The products were characterized by TGA, XRD and SEM. The influences of glucose and reaction temperature on the morphologies of NiO samples were investigated. Moreover, the possible growth mechanism for the spherical morphology was proposed. The charge/discharge test showed that the as-prepared NiO microspheres composed of nanoparticles can serve as an ideal electrode material for supercapacitor due to the spherical hollow structure. -- Graphical Abstract: Fig. 5 is the SEM image of NiO that was prepared in the different hydrothermal reaction temperatures. It showed that reaction temperature played a crucial role for the morphology of products.

  11. Fabrication of NiO thin film electrode for supercapacitor applications

    SciTech Connect (OSTI)

    Mali, V. V.; Navale, S. T.; Chougule, M. A.; Khuspe, G. D.; Godse, P. R.; Patil, V. B.; Pawar, S. A.

    2014-04-24

    Nanocrystalline NiO electrode is successfully electrosynthesized for supercapacitor application. The nanocrystalline NiO electrode is characterized using scanning electron microscope (SEM). Nickel oxide is a highly porous and the film surface looked smooth and composed of fine elongated particles. The supercapacitive performance of NiO electrode is tested using cyclic voltammetry (C-V) technique in 0.5M Na{sub 2}S{sub 2}O{sub 3} electrolyte within potential range of ?1.2 to +1.2 V. The effect of scan rate on the capacitance of NiO electrode is studied. The highest specific capacitance of 439 Fg{sup ?1} at the voltage scan rate of 50mVs{sup ?1} is achieved. Additionally stability and chargingdischarging of NiO electrode are studied.

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

    SciTech Connect (OSTI)

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

    1997-02-01

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

  13. Investigation of the second discharge plateau of the {beta}(III)-NiOOH/{beta}(II)-Ni(OH){sub 2} system

    SciTech Connect (OSTI)

    Leger, C.; Tessier, C.; Menetrier, M.; Denage, C.; Delmas, C. |

    1999-03-01

    The galvanostatic reduction of the nickel hydroxide electrode is known to proceed at two successive potentials without this phenomenon being well understood. In this paper the authors prove that this second discharge plateau is unrelated to oxygen reduction and that it can be observed in the absence of the {gamma}-NiOOH hydrated phase. Some earlier studies have connected it to the phase diagram of the {beta}(III)/{beta}(II) system. Using highly precise X-ray measurements, the authors demonstrate that the latter is quite different from the one commonly used. They then interpret the unusual shapes of potential relaxation curves during the lower discharge plateau. Measurements over a wide range of current density (four orders of magnitude) yield experimental clues for an original interpretation of the second discharge plateau based on the dynamics of the discharge process. They suggest that the second plateau is due to the existence of a phase close to Ni(OH){sub 2}, which is not ionically conductive but (poorly) electronically conductive, in the vicinity of the current collector.

  14. Microstructure and thermal conductivity of surfactant-free NiO nanostructures

    SciTech Connect (OSTI)

    Sahoo, Pranati; Misra, Dinesh K.; Salvador, Jim; Makongo, Julien P.A.; Chaubey, Girija S.; Takas, Nathan J.; Wiley, John B.; Poudeu, Pierre F.P.

    2012-06-15

    High purity, nanometer sized surfactant-free nickel oxide (NiO) particles were produced in gram scale using a solution combustion method and characterized by X-ray diffraction (XRD), transmission electron microscopy (TEM), gas pycnometry and gas adsorption analysis (BET). The average particle size of the as-synthesized NiO increases significantly with the preheating temperature of the furnace, while the specific surface area decreases. A BET specific surface area of {approx}100 m{sup 2}/g was obtained for NiO nanoparticles with size as small as 3 nm synthesized at 300 Degree-Sign C. The thermal conductivity ({kappa}) of pressed pellets of the synthesized NiO nanoparticles obtained using spark plasma sintering (SPS) and uniaxial hot pressing is drastically decreased ({approx}60%) compared to that of NiO single crystal. This strong reduction in {kappa} with particle size suggests the suitability of the synthesized surfactant-free NiO nanoparticles for use as nanoinclusions when designing high performance materials for waste heat recovery. - Graphical abstract: Highly efficient phonon scattering by surfactant-free NiO nanostructures obtained by solution combustion of a mixture of nickel (II) nitrate hexahydrate (oxidizer) and urea (fuel) at various temperatures. Highlights: Black-Right-Pointing-Pointer Fast synthesis of surfactant-free NiO nanoparticles with controllable size. Black-Right-Pointing-Pointer High specific surface area for NiO nanoparticles with size range from 3 to 7 nm. Black-Right-Pointing-Pointer Strong reduction of the thermal conductivity with decreasing particle size. Black-Right-Pointing-Pointer NiO as nanoinclusions in high performance materials for energy conversion.

  15. High Temperature Oxidation Behavior of gamma-Ni+gamma'-Ni3Al Alloys and Coatings Modified with Pt and Reactive Elements

    SciTech Connect (OSTI)

    Nan Mu

    2007-12-01

    Materials for high-pressure turbine blades must be able to operate in the high-temperature gases (above 1000 C) emerging from the combustion chamber. Accordingly, the development of nickel-based superalloys has been constantly motivated by the need to have improved engine efficiency, reliability and service lifetime under the harsh conditions imposed by the turbine environment. However, the melting point of nickel (1455 C) provides a natural ceiling for the temperature capability of nickel-based superalloys. Thus, surface-engineered turbine components with modified diffusion coatings and overlay coatings are used. Theses coatings are capable of forming a compact and adherent oxide scale, which greatly impedes the further transport of reactants between the high-temperature gases and the underlying metal and thus reducing attack by the atmosphere. Typically, these coatings contain {beta}-NiAl as a principal constituent phase in order to have sufficient aluminum content to form an Al{sub 2}O{sub 3} scale at elevated temperatures. The drawbacks to the currently-used {beta}-based coatings, such as phase instabilities, associated stresses induced by such phase instabilities, and extensive coating/substrate interdiffusion, are major motivations in this study to seek next-generation coatings. The high-temperature oxidation resistance of novel Pt + Hf-modified {gamma}-Ni + {gamma}-Ni{sub 3}Al-based alloys and coatings were investigated in this study. Both early-stage and 4-days isothermal oxidation behavior of single-phase {gamma}-Ni and {gamma}{prime}-Ni{sub 3}Al alloys were assessed by examining the weight changes, oxide-scale structures, and elemental concentration profiles through the scales and subsurface alloy regions. It was found that Pt promotes Al{sub 2}O{sub 3} formation by suppressing the NiO growth on both {gamma}-Ni and {gamma}{prime}Ni{sub 3}Al single-phase alloys. This effect increases with increasing Pt content. Moreover, Pt exhibits this effect even at

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

    SciTech Connect (OSTI)

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

    2015-07-17

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

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

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

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

    2015-07-17

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

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

    SciTech Connect (OSTI)

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

    2013-04-15

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

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

    SciTech Connect (OSTI)

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

    2003-08-31

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

  20. Properties of Ni-Al under shock loading

    SciTech Connect (OSTI)

    Koskelo, A. C.; McClellan, K. J.; Brooks, J. D.; Paisley, Dennis L.; Swift, D. C.

    2002-01-01

    New models for the dynamic response of materials will be based increasingly on better understanding and representation of processes occurring at the microstructural level. These developments require advances in diagnostics and models which can be applied explicitly to microstructural response. Various phenomena occur at the microstructural level which are generally ignored or averaged out in continuum-level models. One example of such 'irregular hydrodynamics' is the roughness imparted to a shock wave as it propagates through a polycrystalline material. We have developed imaging techniques to study spatial variations in shock propagation through polycrystalline materials. In order to interpret spatially-resolved data from polycrystal samples, we need to compare with simulations which represent the microstructure. Here we describe work undertaken to develop a model of the dynamic response of individual grains. The material chosen was Ni-Al alloy, because it exhibits a relatively large degree of elastic anisotropy, and it is relatively easy to manufacture.

  1. Low Temperature Scaling of the Susceptibility of Ni Films

    SciTech Connect (OSTI)

    Song, X. H.; Zhang, Xiaoguang; Fan, J.; Jin, Y. R.; Su, S. K.; Zhang, D. L.

    2008-03-01

    Measurement of low field ac susceptibility of Ni thin films over the temperature range 5-300K reveals a surprising power law scaling. The temperature dependent part of the normalized susceptibility, $\\chi_\\parallel/M_S-\\chi_{\\rm rot}/M_S$, where $\\chi_\\parallel$ is the initial susceptibility for in-plane magnetization, $\\chi_{\\rm rot}$ is the domain rotation contribution, and $M_S$ is the saturation magnetization, scales with the nonlinear reduced temperature as $t^{-2}$ over the entire temperature range, where $t=(T-T_C)/(T+T_C)$ and $T_C$ is the Curie temperature. Thickness and reduced temperature dependences are completely decoupled. This result implies that domain wall motion does not contribute to the low field susceptibility.

  2. In situ carbonyl extraction of Ni from gaseous diffusion cells

    SciTech Connect (OSTI)

    Visnapuu, A. [USBM Salt Lake Research Center, Salt Lake City, UT (United States); Hollenberg, G.W. [Battelle Pacific Northwest Lab., Richland, WA (United States); Bundy, R.D. [Battelle Memorial Institute, Oak Ridge, TN (United States)

    1995-12-31

    This paper discusses the use of carbonyl processing technology for recovery of nickel from uranium isotope separation diffusion cells, and potential applications to recover nickel, iron, chromium, cobalt, and other carbonyl forming metals from nuclear waste while reducing the volume of the high level residue for more economic disposal. Nickel powder was carbonylated under static and dynamic conditions using only carbon monoxide to determine if the nickel powder would react rapidly enough to require no promoter. Nickel to Ni(CO){sub 4} conversion was realized in all cases and nickel metal was vapor deposited in the thermal decomposer, but the conversion rates in all cases the reaction were too slow for practical recovery. Addition of hydrogen sulfide gas as a promoter increased the conversion rate more than 500-fold over conversion with no promoter. Test summaries are provided in the paper; results indicate that promoter activated carbonylation is a viable approach for recovery of nickel from uranium isotope diffusion cells.

  3. Undercooled and rapidly quenched Ni-Mo alloys

    SciTech Connect (OSTI)

    Tewari, S.N.; Glasgow, T.K.

    1986-01-01

    Hypoeutectic, eutectic, and hypereutectic nickel-molybdenum alloys were rapidly solidified by both bulk undercooling and melt spinning techniques. Alloys were undercooled in both electromagnetic levitation and differential thermal analysis equipment. The rate of recalescence depended upon the degree of initial undercooling and the nature (faceted or nonfaceted) of the primary nucleating phase. Alloy melts were observed to undercool more in the presence of primary Beta (NiMo intermetallic) phase than in gamma (fcc solid solution) phase. Melt spinning resulted in an extension of molybdenum solid solubility in gamma nickel, from 28 to 37.5 at % Mo. Although the microstructures observed by undercooling and melt spinning were similar the microsegregation pattern across the gamma dendries was different. The range of microstructures evolved was analyzed in terms of the nature of the primary phase to nucleate, its subsequent dendritic growth, coarsening and fragmentation, and final solidification of interfenderitic liquid.

  4. A semisynthetic strategy leads to alteration of the backbone amidate ligand in the NiSOD active site

    SciTech Connect (OSTI)

    Campeciño, Julius O.; Dudycz, Lech W.; Tumelty, David; Berg, Volker; Cabelli, Diane E.; Maroney, Michael J.

    2015-07-01

    Computational investigations have implicated the amidate ligand in nickel superoxide dismutase (NiSOD) in stabilizing Ni-centered redox catalysis and in preventing cysteine thiolate ligand oxidation. To test these predictions, we have used an experimental approach utilizing a semisynthetic scheme that employs native chemical ligation of a pentapeptide (HCDLP) to recombinant S. coelicolor NiSOD lacking these N-terminal residues, NΔ5-NiSOD. Wild-type enzyme produced in this manner exhibits the characteristic spectral properties of recombinant WT-NiSOD and is as catalytically active. The semisynthetic scheme was also employed to construct a variant where the amidate ligand was converted to a secondary amine, H1*-NiSOD, a novel strategy that retains a backbone N-donor atom. The H1*-NiSOD variant was found to have only ~1% of the catalytic activity of the recombinant wild-type enzyme, and had altered spectroscopic properties. X-ray absorption spectroscopy reveals a four-coordinate planar site with N2S2-donor ligands, consistent with electronic absorption spectroscopic results indicating that the Ni center in H1*-NiSOD is mostly reduced in the as-isolated sample, as opposed to 50:50 Ni(II)/Ni(III) mixture that is typical for the recombinant wild-type enzyme. The EPR spectrum of as-isolated H1*-NiSOD accounts for ~11% of the Ni in the sample and is similar to WT-NiSOD, but more axial, with gz < gx,y. 14N-hyperfine is observed on gzNi(III) complex. As a result, the altered electronic properties and implications for redox catalysis are discussed in light of predictions based on synthetic and computational models.

  5. A semisynthetic strategy leads to alteration of the backbone amidate ligand in the NiSOD active site

    SciTech Connect (OSTI)

    Campecio, Julius O.; Dudycz, Lech W.; Tumelty, David; Berg, Volker; Cabelli, Diane E.; Maroney, Michael J.

    2015-07-01

    Computational investigations have implicated the amidate ligand in nickel superoxide dismutase (NiSOD) in stabilizing Ni-centered redox catalysis and in preventing cysteine thiolate ligand oxidation. To test these predictions, we have used an experimental approach utilizing a semisynthetic scheme that employs native chemical ligation of a pentapeptide (HCDLP) to recombinant S. coelicolor NiSOD lacking these N-terminal residues, N?5-NiSOD. Wild-type enzyme produced in this manner exhibits the characteristic spectral properties of recombinant WT-NiSOD and is as catalytically active. The semisynthetic scheme was also employed to construct a variant where the amidate ligand was converted to a secondary amine, H1*-NiSOD, a novel strategy that retains a backbone N-donor atom. The H1*-NiSOD variant was found to have only ~1% of the catalytic activity of the recombinant wild-type enzyme, and had altered spectroscopic properties. X-ray absorption spectroscopy reveals a four-coordinate planar site with N2S2-donor ligands, consistent with electronic absorption spectroscopic results indicating that the Ni center in H1*-NiSOD is mostly reduced in the as-isolated sample, as opposed to 50:50 Ni(II)/Ni(III) mixture that is typical for the recombinant wild-type enzyme. The EPR spectrum of as-isolated H1*-NiSOD accounts for ~11% of the Ni in the sample and is similar to WT-NiSOD, but more axial, with gz < gx,y. 14N-hyperfine is observed on gzNi(III) complex. As a result, the altered electronic properties and implications for redox catalysis are discussed in light of predictions based on synthetic and computational models.

  6. Searches for supersymmetry using the M$$_{T2}$$ variable in hadronic events produced in pp collisions at 8 TeV

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

    Khachatryan, V.

    2015-05-15

    Searches for supersymmetry (SUSY) are performed using a sample of hadronic events produced in 8 TeV pp collisions at the CERN LHC. The searches are based on the Mmore » $$_{T2}$$ variable, which is a measure of the transverse momentum imbalance in an event. The data were collected with the CMS detector and correspond to an integrated luminosity of 19.5 fb1. Two related searches are performed. The first is an inclusive search based on signal regions defined by the value of the M$$_{T2}$$ variable, the hadronic energy in the event, the jet multiplicity, and the number of jets identified as originating from bottom quarks. The second is a search for a mass peak corresponding to a Higgs boson decaying to a bottom quark-antiquark pair, where the Higgs boson is produced as a decay product of a SUSY particle. For both searches, the principal backgrounds are evaluated with data control samples. No significant excess over the expected number of background events is observed, and exclusion limits on various SUSY models are derived.« less

  7. On characterisation of wire-arc-plasma-sprayed Ni on alumina substrate

    SciTech Connect (OSTI)

    Laik, A.; Chakravarthy, D.P.; Kale, G.B. . E-mail: gbkale@apsara.barc.ernet.in

    2005-08-15

    A study was carried out on metal-ceramic bonding produced by the technique of wire-arc-plasma spraying of Ni on Al{sub 2}O{sub 3} substrate. The Ni layer and the Ni/Al{sub 2}O{sub 3} interface were characterised using optical and electro-optic techniques. The plasma-deposited Ni layer shows a uniform lamellar microstructure throughout the cross-section. The metal-ceramic interface was found to be well bonded with no pores, flaws or cracks in the as-sprayed condition. The optical metallography and concentration profiles established with the help of an electron probe microanalyser confirmed the absence of any intermediate phase at the interface. An annealing treatment at 1273 K for 24 h on the plasma-coated samples did not result in formation of any intermetallic compound or spinel at the Ni/Al{sub 2}O{sub 3} interface. This indicates that the oxygen picked up by Ni during the spraying operation is less than the threshold value required to form the spinel NiAl{sub 2}O{sub 4}.

  8. Phase relations and structural features in the system Ni-Zn-B

    SciTech Connect (OSTI)

    Malik, Z.; Grytsiv, A.; Rogl, P.; Giester, G.; Bursik, J.

    2013-02-15

    Phase relations for the system Ni-Zn-B have been established in the isothermal section at 800 Degree-Sign C based on X-ray powder diffraction and electron microprobe analyses of about 60 samples, which have been prepared by hot pressing of pre-annealed powder compacts of arc-melted master alloys Ni{sub x}B{sub y} and Zn-filings. Six ternary compounds (labeled {tau}{sub 1} to {tau}{sub 6}) were found to exist, which in some cases exhibit considerable mutual solid solubilities mostly as an exchange of Ni-Zn at constant B-content, but in the case of the so-called {tau}-phase {tau}{sub 1}-(Ni{sub 1-x}Zn{sub x}){sub 21}[Zn{sub 1-y-z}{open_square}{sub y}(B{sub 4}){sub z}]{sub 2}B{sub 6} (0.07{<=}x{<=}0.11, 0.07{<=}y{<=}0.53, 0{<=}z{<=}0.3) also with Zn/B substitution. Single crystal X-ray data analysis for the composition x=0.07, y=0.125, z=0.30, and a=1.05800(3) nm confirmed the Cr{sub 23}C{sub 6} type with space group Fm3{sup Macron }m, but revealed partial replacement of Zn-atoms by B{sub 4}-tetrahedra (R{sub F}=0.014). Whereas Ni/Zn exchange (at constant B-content) ranges at about 4-5 at% for {tau}{sub 4}-Ni{sub 3}ZnB{sub 2} and {tau}{sub 5}-Ni{sub 48}Zn{sub 32}B{sub 20}, it is below 3 at% for {tau}{sub 2}-Ni{sub 12}ZnB{sub 8-x} (x=0.43), {tau}{sub 3}-Ni{sub 21}Zn{sub 2}B{sub 20} and {tau}{sub 6}-Ni{sub 47}Zn{sub 23}B{sub 30}. The crystal structures of {tau}{sub 2}-Ni{sub 12}ZnB{sub 8-x} (x=0.43; Ni{sub 12}AlB{sub 8} type), {tau}{sub 3}-Ni{sub 21}Zn{sub 2}B{sub 20} (own type) and {tau}{sub 4}-Ni{sub 3}ZnB{sub 2} (own type) have been determined in our foregoing paper [8]. Due to the non-availability of suitable single crystals, the crystal structures of {tau}{sub 5}-Ni{sub 48}Zn{sub 32}B{sub 20} (body-centered orthorhombic; a=1.6(2) nm, b=0.63(7) nm, and c=0.27(0) nm, determined from TEM) and of {tau}{sub 6}-Ni{sub 47}Zn{sub 23}B{sub 30} have not been elucidated yet. Phase equilibria at 800 Degree-Sign C are dominated by a large three-phase field ({beta}B)+Ni{sub 2}Zn

  9. NREL Improves Hole Transport in Sensitized CdS-NiO Nanoparticle Photocathodes (Fact Sheet)

    SciTech Connect (OSTI)

    Not Available

    2012-01-01

    Significantly improved charge-collection efficiencies result from a general chemical approach to synthesizing photocathodes. It has been reported that a dye-sensitized nickel oxide (NiO) photocathode, when coupled to a dye-sensitized photoanode, could significantly increase overall solar conversion efficiency. However, the conversion efficiencies of these cells are still low. There has been much effort to improve the conversion efficiency by fabricating films with improved properties and developing more effective sensitizing dyes for p-type NiO. One of the factors limiting the use of NiO for solar cell application is the low hole conductivity in p-NiO. A team of researchers from the National Renewable Energy Laboratory (NREL) developed a general chemical approach to synthesize NiO-cadmium sulfide (CdS) core-shell nanoparticle films as photocathodes for p-type semiconductor-sensitized solar cells. Compared to dye-sensitized NiO photocathodes, the CdS-sensitized NiO cathodes exhibited two orders of magnitude faster hole transport (attributable to the passivation of surface traps by the CdS) and almost 100% charge-collection efficiencies.

  10. (001) Oriented piezoelectric films prepared by chemical solution deposition on Ni foils

    SciTech Connect (OSTI)

    Yeo, Hong Goo Trolier-McKinstry, Susan

    2014-07-07

    Flexible metal foil substrates are useful in some microelectromechanical systems applications including wearable piezoelectric sensors or energy harvesters based on Pb(Zr,Ti)O₃ (PZT) thin films. Full utilization of the potential of piezoelectrics on metal foils requires control of the film crystallographic texture. In this study, (001) oriented PZT thin films were grown by chemical solution deposition (CSD) on Ni foil and Si substrates. Ni foils were passivated using HfO₂ grown by atomic layer deposition in order to suppress substrate oxidation during subsequent thermal treatment. To obtain the desired orientation of PZT film, strongly (100) oriented LaNiO₃ films were integrated by CSD on the HfO₂ coated substrates. A high level of (001) LaNiO₃ and PZT film orientation were confirmed by X-ray diffraction patterns. Before poling, the low field dielectric permittivity and loss tangents of (001) oriented PZT films on Ni are near 780 and 0.04 at 1 kHz; the permittivity drops significantly on poling due to in-plane to out-of-plane domain switching. (001) oriented PZT film on Ni displayed a well-saturated hysteresis loop with a large remanent polarization ~36 μC/cm², while (100) oriented PZT on Si showed slanted P-E hysteresis loops with much lower remanent polarizations. The |e{sub 31,f}| piezoelectric coefficient was around 10.6 C/m² for hot-poled (001) oriented PZT film on Ni.

  11. Fabrication of hollow mesoporous NiO hexagonal microspheres via hydrothermal process in ionic liquid

    SciTech Connect (OSTI)

    Zhao, Jinbo; School of Materials Science and Engineering, Shandong University, 250061, Jinan ; Wu, Lili; School of Materials Science and Engineering, Shandong University, 250061, Jinan ; Zou, Ke; School of Materials Science and Engineering, Shandong University, 250061, Jinan

    2011-12-15

    Highlights: Black-Right-Pointing-Pointer Ni(OH){sub 2} precursors were synthesized in ionic liquid and water solution by hydrothermal method. Black-Right-Pointing-Pointer NiO hollow microspheres were prepared by thermal treatment of Ni(OH){sub 2} precursors. Black-Right-Pointing-Pointer NiO hollow microspheres were self-assembled by mesoporous cubic and hexagonal nanocrystals with high specific surface area. Black-Right-Pointing-Pointer The mesoporous structure is stable at 773 K. Black-Right-Pointing-Pointer The ionic liquid absorbed on the O-terminate surface of the crystals to form hydrogen bond and played key roles in determining the final shape of the NiO novel microstructure. -- Abstract: The novel NiO hexagonal hollow microspheres have been successfully prepared by annealing Ni(OH){sub 2}, which was synthesized via an ionic liquid-assisted hydrothermal method. The samples were characterized by X-ray diffraction (XRD), field emission scanning electron microscope (FE-SEM), transmission electron microscopy (TEM), N{sub 2} adsorption-desorption and Fourier transform infrared spectrometer (FTIR). The results show that the hollow NiO microstructures are self-organized by mesoporous cubic and hexagonal nanocrystals. The mesoporous structure possessed good thermal stability and high specific surface area (ca. 83 m{sup 2}/g). The ionic liquid 1-butyl-3methylimidazolium tetrafluoroborate ([Bmim][BF{sub 4}]) was found to play a key role in controlling the morphology of NiO microstructures during the hydrothermal process. The special hollow mesoporous architectures will have potential applications in many fields, such as catalysts, absorbents, sensors, drug-delivery carriers, acoustic insulators and supercapacitors.

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

    SciTech Connect (OSTI)

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

    2014-04-01

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

  13. Structure Analysis of a Precipitate Phase in an Ni-Rich High Temperature NiTiHf Shape Memory Alloy

    SciTech Connect (OSTI)

    Yang, Fan; Coughlin, D. R.; Phillips, Patrick J.; Yang, L.; Devaraj, Arun; Kovarik, Libor; Noebe, Ronald D.; Mills, M. J.

    2013-03-22

    Thermal aging of the high temperature shape memory alloy 50.3Ni-29.7Ti-20Hf (at.%) introduces a novel precipitate phase, which plays an important role in improving shape memory properties. The precipitate phase was investigated by conventional electron diffraction, high resolution scanning transmission electron microscopy (STEM) and three dimensional atom probe tomography. An unrelaxed orthorhombic atomic structural model is proposed based on these observations. This model was subsequently relaxed by ab initio calculations. As a result of the relaxation, atom shuffle displacements occur, which in turn yields improved agreement with the STEM images. The relaxed structure, which is termed the “H-phase”, has also been verified to be thermodymanically stable at 0 K.

  14. Improved synthesis and crystal structure of the flexible pillared layer porous coordination polymer: Ni(1,2-bis(4-pyridyl)ethylene)[Ni(CN)4

    SciTech Connect (OSTI)

    Wong-Ng, W.; Culp, J. T.; Chen, Y. S.; Zavalij, P.; Espinal, L.; Siderius, D. W.; Allen, A. J.; Scheins, S.; Matranga, C.

    2013-01-01

    This paper reports our synthesis of flexible coordination polymer, Ni(L)[Ni(CN)4], (L = 1,2-bis(4-pyridyl)ethylene (nicknamed bpene)), and its structural characterization using synchrotron single crystal X-ray diffraction. The structure of the purplish crystals has been determined to be monoclinic, space group P21/m, a = 13.5941(12) Å, b = 14.3621(12) Å, c = 14.2561(12) Å, β = 96.141(2)°, V = 2767.4(4) Å3, Z = 4, Dc = 1.46 g cm-1. Ni(bpene)[Ni(CN)4] assumes a pillared layer structure with layers defined by Ni[Ni(CN)4]n nets and bpene ligands acting as pillars. With the present crystallization technique which involves the use of concentrated ammonium hydroxide solution and dimethyl sulfoxide (DMSO), disordered free bpene ligands and solvents of crystallization (DMSO and water molecules) occupy the pores, resulting in a formula of Ni(bpene)[Ni(CN)4](1/2)bpene∙DMSO2H2O, or Ni2N7C24H25SO3. Without the inclusion of free bpene ligands and solvent molecules, the free volume is approximately 61% of the total volume; this free volume fraction is reduced to 50% with the free ligands present. Pores without the free ligands were found to have a local diameter of 5.7 Å and a main aperture of 3.5 Å. Based on the successful crystal synthesis, we also devised a new bulk synthetic technique which yielded a polycrystalline material with a significantly improved CO2 uptake as compared to the originally reported powder material. The improved synthetic technique yielded a polycrystalline material with 40% higher CO2 uptake compared to the previously reported powder material. An estimated 14.4 molecules of CO2 per unit cell was obtained.

  15. Method for measurement of diffusivity: Calorimetric studies of Fe/Ni multilayer thin films

    SciTech Connect (OSTI)

    Liu, JX; Barmak, K

    2015-07-15

    A calorimetric method for the measurement of diffusivity in thin film multilayers is introduced and applied to the Fe Ni system. Using this method, the diffusivity in [Fe (25 nm)/Ni (25 nm)](20) multilayer thin films is measured as 4 x 10(-3)exp(-1.6 +/- 0.1 eV/ k(B)T) cm(2)/s, respectively. The diffusion mechanism in the multilayers and its relevance to laboratory synthesis of L1(0) ordered FeNi are discussed. (C) 2015 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

  16. Phonon densities of states of face-centered-cubic Ni-Fe alloys

    SciTech Connect (OSTI)

    Lucas, Matthew; Mauger, L; Munoz, Jorge A.; Halevy, I; Horwath, J; Semiatin, S L; Leontsev, S. O.; Stone, Matthew B; Abernathy, Douglas L; Xiao, Yuming; Chow, P; Fultz, B.

    2013-01-01

    Inelastic neutron scattering and nuclear resonant inelastic x-ray scattering were used to determine the phonon densities of states of face-centered-cubic Ni-Fe alloys. Increasing Fe concentration results in an average softening of the phonon modes. Chemical ordering of the Ni0.72Fe0.28 alloy results in a reduction of the partial vibrational entropy of the Fe atoms but does not significantly change the partial vibrational entropy of the Ni atoms. Changes in the phonon densities of states with composition and chemical ordering are discussed and analyzed with a cluster expansion method.

  17. Effects of anode materials on resistive characteristics of NiO thin films

    SciTech Connect (OSTI)

    Jia, Ze; Wang, Linkai; Zhang, Naiwen; Ren, Tianling; Liou, Juin J.

    2013-01-28

    This letter shows that the NiO-based structure with different anodes has different resistive switching properties. A conical conductive filament (CF) model is proposed for oxygen vacancies distributed in NiO films. Modeling analysis reveals much larger dissolution velocity of CF near anodes than near cathodes during the reset process. Different interfaces shown in Auger electron spectroscopy can be bound with the model to reveal that CF is dissolved in the structure with Pt or Au as anodes, while CF remains constant if the anode material is Ti or Al, which can explain whether switching properties occur in the specific NiO-based structures.

  18. AB INITIO STUDIES OF COKE FORMATION ON NI CATALYSTS DURING METHANE REFORMING

    SciTech Connect (OSTI)

    David S. Sholl

    2003-09-25

    The atomic-scale processes that control the formation of carbon deposits on Ni catalysts in reforming applications are poorly understood. Ab initio Density Functional Theory calculations have been used to examine several key elementary steps in the complex network of chemical reactions that precedes carbon formation on practical catalysts. Attention has been focused on the disproportionation of CO. A comparative study of this reaction on flat and stepped crystal planes of Ni has provided the first direct evidence that surface carbon formation is driven by elementary reactions occurring at defect sites on Ni catalysts.

  19. Observation of spectral evolution during the formation of a Ni2 kondo molecule

    SciTech Connect (OSTI)

    Madhavan, V.; Jamneala, T.; Nagaoka, K.; Chen, W.; Li, Je-Luen; Louie, Steven G.; Crommie, M.F.

    2002-04-15

    We have used atomic manipulation and scanning tunneling spectroscopy to study the evolution in electronic properties that occurs as two Ni atoms are merged into a single magnetic molecule on Au(111). We observe energetic shifting of molecular d-orbitals and a strong decrease in the molecular Kondo temperature as Ni-Ni separation is reduced to 3.4+ or -0.3Angstroms. These results are qualitatively explained by a combination of spin-1/2-s-d model and density-functional calculations.

  20. Implications of NiMH Hysteresis on HEV Battery Testing and Performance

    SciTech Connect (OSTI)

    Motloch, Chester George; Belt, Jeffrey R; Hunt, Gary Lynn; Ashton, Clair Kirkendall; Murphy, Timothy Collins; Miller, Ted J.; Coates, Calvin; Tataria, H. S.; Lucas, Glenn E.; Duong, T.Q.; Barnes, J.A.; Sutula, Raymond

    2002-08-01

    Nickel Metal-Hydride (NiMH) is an advanced high-power battery technology that is presently employed in Hybrid Electric Vehicles (HEVs) and is one of several technologies undergoing continuing research and development by FreedomCAR. Unlike some other HEV battery technologies, NiMH exhibits a strong hysteresis effect upon charge and discharge. This hysteresis has a profound impact on the ability to monitor state-of-charge and battery performance. Researchers at the Idaho National Engineering and Environmental Laboratory (INEEL) have been investigating the implications of NiMH hysteresis on HEV battery testing and performance. Experimental results, insights, and recommendations are presented.

  1. CASL - Mixing and non-stoichiometry in Fe-Ni-Cr-Zn-O spinel compounds:

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

    Density functional theory calculations Mixing and non-stoichiometry in Fe-Ni-Cr-Zn-O spinel compounds: Density functional theory calculations Mixing and non-stoichiometry in Fe-Ni-Cr-Zn-O spinel compounds: Density functional theory calculations D.A. Andersson and C.R. Stanek Materials Science and Technology Division Los Alamos National Laboratory Density functional theory (DFT) calculations have been employed to better understand the thermodynamic properties of AB2O4 (where A=Fe2+, Ni2+ or

  2. Structural evolution in Ti-Cu-Ni metallic glasses during heating

    SciTech Connect (OSTI)

    Gargarella, P.; Pauly, S.; Stoica, M.; Khn, U.; Vaughan, G.; Afonso, C. R. M.; Eckert, J.

    2015-01-01

    The structural evolution of Ti{sub 50}Cu{sub 43}Ni{sub 7} and Ti{sub 55}Cu{sub 35}Ni{sub 10} metallic glasses during heating was investigated by in-situ synchrotron X-ray diffraction. The width of the most intense diffraction maximum of the glassy phase decreases slightly during relaxation below the glass transition temperature. Significant structural changes only occur above the glass transition manifesting in a change in the respective peak positions. At even higher temperatures, nanocrystals of the shape memory B2-Ti(Cu,Ni) phase precipitate, and their small size hampers the occurrence of a martensitic transformation.

  3. Effects of aging on the characteristics of TiNiPd shape memory alloy thin films

    SciTech Connect (OSTI)

    Zhang Congchun

    2008-07-15

    TiNiPd thin films have been deposited on glass substrate using R.F. magnetron sputtering. Effects of annealing and aging on the microstructure, phase transformation behaviors and shape memory effects of these thin films have been studied by X-ray diffractometry, differential scanning calorimeter, tensile tests and internal friction characteristics. The TiNiPd thin films annealed at 750 deg. C exhibit uniform martensite/austenite transformations and shape memory effect. Aging at 450 deg. C for 1 h improved the uniformity of transformations and shape memory effect. Long time aging decreased transformation temperatures and increased the brittleness of TiNiPd thin films.

  4. Unoccupied electronic structure of Ni2MnGa ferromagnetic shape memory alloy

    SciTech Connect (OSTI)

    Maniraj, M.; D?Souza, S. W.; Rai, Abhishek; Schlagel, D. L.; Lograsso, T. A.; Chakrabarti, Aparna; Barman, S. R.

    2015-08-20

    Momentum resolved inverse photoemission spectroscopy measurements show that the dispersion of the unoccupied bands of Ni2MnGa is significant in the austenite phase. Furthermore, in the martensite phase, it is markedly reduced, which is possibly related to the structural transition to an incommensurate modulated state in the martensite phase. Finally, based on the first principle calculations of the electronic structure of NiMnGa, we show that the modification of the spectral shape with surface composition is related to change in the hybridization between the Mn 3d and Ni 3d-like states that dominate the unoccupied conduction band.

  5. Features of a priori heavy doping of the n-TiNiSn intermetallic semiconductor

    SciTech Connect (OSTI)

    Romaka, V. A.; Rogl, P.; Romaka, V. V.; Hlil, E. K.; Stadnyk, Yu. V.; Budgerak, S. M.

    2011-07-15

    The crystal structure, the distribution of electron density, and the energy, kinetic, and magnetic properties of the n-TiNiSn intermetallic semiconductor are investigated. It is shown that a priori doping of n-TiNiSn with donors originates from partial, up to 0.5 at %, redistribution of Ti and Ni atoms in crystallographic sites of Ti atoms. The correlation is established between the donor concentration, amplitude of modulation of the continuous energy bands, and degree of filling of low-scale fluctuation potential wells with charge carriers. The results obtained are discussed within the Shklovskii-Efros model of a heavily doped and compensated semiconductor.

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

    SciTech Connect (OSTI)

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

    2012-10-01

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

  7. Significant Reduction in NiO Band Gap upon Formation of LixNi1?xO Alloys: Applications to Solar Energy Conversion

    SciTech Connect (OSTI)

    Alidoust, Nima; Toroker, Maytal; Keith, John A.; Carter, Emily A.

    2014-01-01

    Long-term sustainable solar energy conversion relies on identifying economical and versatile semiconductor materials with appropriate band structures for photovoltaic and photocatalytic applications (e.g., band gaps of ?1.52.0 eV). Nickel oxide (NiO) is an inexpensive yet highly promising candidate. Its charge-transfer character may lead to longer carrier lifetimes needed for higher efficiencies, and its conduction band edge is suitable for driving hydrogen evolution via water-splitting. However, NiOs large band gap (?4 eV) severely limits its use in practical applications. Our first-principles quantum mechanics calculations show band gaps dramatically decrease to ?2.0 eV when NiO is alloyed with Li2O. We show that LixNi1?xO alloys (with x=0.125 and 0.25) are p-type semiconductors, contain states with no impurity levels in the gap and maintain NiOs desirable charge-transfer character. Lastly, we show that the alloys have potential for photoelectrochemical applications, with band edges well-placed for photocatalytic hydrogen production and CO2 reduction, as well as in tandem dye-sensitized solar cells as a photocathode.

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

    SciTech Connect (OSTI)

    Emelin, M Yu; Ryabikin, M Yu

    2013-03-31

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

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

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

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

    2015-12-08

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

  10. A semisynthetic strategy leads to alteration of the backbone amidate ligand in the NiSOD active site

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

    Campeciño, Julius O.; Dudycz, Lech W.; Tumelty, David; Berg, Volker; Cabelli, Diane E.; Maroney, Michael J.

    2015-07-01

    Computational investigations have implicated the amidate ligand in nickel superoxide dismutase (NiSOD) in stabilizing Ni-centered redox catalysis and in preventing cysteine thiolate ligand oxidation. To test these predictions, we have used an experimental approach utilizing a semisynthetic scheme that employs native chemical ligation of a pentapeptide (HCDLP) to recombinant S. coelicolor NiSOD lacking these N-terminal residues, NΔ5-NiSOD. Wild-type enzyme produced in this manner exhibits the characteristic spectral properties of recombinant WT-NiSOD and is as catalytically active. The semisynthetic scheme was also employed to construct a variant where the amidate ligand was converted to a secondary amine, H1*-NiSOD, a novel strategymore » that retains a backbone N-donor atom. The H1*-NiSOD variant was found to have only ~1% of the catalytic activity of the recombinant wild-type enzyme, and had altered spectroscopic properties. X-ray absorption spectroscopy reveals a four-coordinate planar site with N2S2-donor ligands, consistent with electronic absorption spectroscopic results indicating that the Ni center in H1*-NiSOD is mostly reduced in the as-isolated sample, as opposed to 50:50 Ni(II)/Ni(III) mixture that is typical for the recombinant wild-type enzyme. The EPR spectrum of as-isolated H1*-NiSOD accounts for ~11% of the Ni in the sample and is similar to WT-NiSOD, but more axial, with gz < gx,y. 14N-hyperfine is observed on gz« less

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

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

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

    2014-12-15

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

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

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

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

    2015-11-11

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

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

    SciTech Connect (OSTI)

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

    2015-05-07

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

  14. Pressure-Induced Structural Phase Transition in CeNi: X-ray and...

    Office of Scientific and Technical Information (OSTI)

    Pressure-Induced Structural Phase Transition in CeNi: X-ray and Neutron Scattering Studies and First-Principles Calculations Citation Details In-Document Search Title: ...

  15. Thickness dependence of hydrogen permeability for Ni-BaCe{sub...

    Office of Scientific and Technical Information (OSTI)

    Journal Article: Thickness dependence of hydrogen permeability for Ni-BaCesub 0.8Ysub 0.2Osub 3-delta. Citation Details In-Document Search Title: Thickness dependence of ...

  16. Unoccupied electronic structure of Ni2MnGa ferromagnetic shape...

    Office of Scientific and Technical Information (OSTI)

    shape memory alloy This content will become publicly available on August 20, 2016 Prev Next Title: Unoccupied electronic structure of Ni2MnGa ferromagnetic shape memory alloy ...

  17. Microstructural evaluation of NiTi-based films deposited by magnetron sputtering

    SciTech Connect (OSTI)

    Crăciunescu, Corneliu M. Mitelea, Ion Budău, Victor; Ercuţa, Aurel

    2014-11-24

    Shape memory alloy films belonging to the NiTi-based systems were deposited on heated and unheated substrates, by magnetron sputtering in a custom made system, and their structure and composition was analyzed using electron microscopy. Several substrates were used for the depositions: glass, Cu-Zn-Al, Cu-Al-Ni and Ti-NiCu shape memory alloy ribbons and kapton. The composition of the Ti-Ni-Cu films showed limited differences, compared to the one of the target and the microstructure for the DC magnetron sputtering revealed crystallized structure with features determined on peel off samples from a Si wafer. Both inter and transcrystalline fractures were observed and related to the interfacial stress developed on cooling from deposition temperature.

  18. Microstructure and Mechanical Properties of Two-Phase Fe30Ni20Mn20Al30...

    Office of Scientific and Technical Information (OSTI)

    Title: Microstructure and Mechanical Properties of Two-Phase Fe30Ni20Mn20Al30 Alloy Authors: Wu, Xiaolan 1 ; Baker, Ian 1 ; Wu, H 1 ; Miller, Michael K 2 ; More, Karren ...

  19. Thermal properties of Ni-substituted LaCoO{sub 3} perovskite

    SciTech Connect (OSTI)

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

    2014-04-24

    With the objective of exploring the unknown thermodynamic behavior of LaCo{sub 1?x}Ni{sub x}O{sub 3} family, we present here an investigation of the temperature-dependent (10K ? T ? 300K) thermodynamic properties of LaCo{sub 1?x}Ni{sub x}O{sub 3} (x=0.1, 0.3, 0.5). The specific heat of LaCoO3 with Ni doping in the perovskite structure at B-site has been studied by means of a Modified Rigid Ion Model (MRIM). This replacement introduces large cation variance at B-site hence the specific heat increases appreciably. We report here probably for the first time the cohesive energy, Reststrahlen frequency (?) and Debye temperature (?{sub D}) of LaCo{sub 1?x}Ni{sub x}O{sub 3} compounds.

  20. AB INITIO STUDIES OF COKE FORMATION ON NI CATALYSTS DURING METHANE REFORMING

    SciTech Connect (OSTI)

    David S. Sholl

    2004-09-25

    The atomic-scale processes that control the formation of carbon deposits on Ni catalysts in reforming applications are poorly understood. Ab initio Density Functional Theory calculations have been used to examine several key elementary steps in the complex network of chemical reactions that precedes carbon formation on practical catalysts. Attention has been focused on the disproportionation of CO. A comparative study of this reaction on flat and stepped crystal planes of Ni has provided the first direct evidence that surface carbon formation is driven by elementary reactions occurring at defect sites on Ni catalysts. The adsorption and diffusion of atomic H on several flat and stepped Ni surfaces has also been characterized experimentally.

  1. Ab Initio Studies of Coke Formation on Ni Catalysts During Methane Reforming

    SciTech Connect (OSTI)

    David S. Sholl

    2006-03-05

    The atomic-scale processes that control the formation of carbon deposits on Ni catalysts in reforming applications are poorly understood. Ab initio Density Functional Theory calculations have been used to examine several key elementary steps in the complex network of chemical reactions that precedes carbon formation on practical catalysts. Attention has been focused on the disproportionation of CO. A comparative study of this reaction on flat and stepped crystal planes of Ni has provided the first direct evidence that surface carbon formation is driven by elementary reactions occurring at defect sites on Ni catalysts. The adsorption and diffusion of atomic H on several flat and stepped Ni surfaces has also been characterized experimentally.

  2. A pseudo binary y-Gd solidification diagram for Ni-Cr-Mo-Gd alloys...

    Office of Scientific and Technical Information (OSTI)

    Title: A pseudo binary y-Gd solidification diagram for Ni-Cr-Mo-Gd alloys. No abstract prepared. Authors: Dupont, John Neuman 1 ; Minicozzi, Michael J. 1 ; Robino, Charles ...

  3. Thermodynamic modeling and experimental validation of the Fe-Al-Ni-Cr-Mo alloy system

    SciTech Connect (OSTI)

    Teng, Zhenke; Zhang, F; Miller, Michael K; Liu, Chain T; Huang, Shenyan; Chou, Y.T.; Tien, R; Chang, Y A; Liaw, Peter K

    2012-01-01

    NiAl-type precipitate-strengthened ferritic steels have been known as potential materials for the steam turbine applications. In this study, thermodynamic descriptions of the B2-NiAl type nano-scaled precipitates and body-centered-cubic (BCC) Fe matrix phase for four alloys based on the Fe-Al-Ni-Cr-Mo system were developed as a function of the alloy composition at the aging temperature. The calculated phase structure, composition, and volume fraction were validated by the experimental investigations using synchrotron X-ray diffraction and atom probe tomography. With the ability to accurately predict the key microstructural features related to the mechanical properties in a given alloy system, the established thermodynamic model in the current study may significantly accelerate the alloy design process of the NiAl-strengthened ferritic steels.

  4. Structure and magnetic properties of Ce₃(Ni/Al/Ga)₁₁-A...

    Office of Scientific and Technical Information (OSTI)

    ...AlGa)-A new phase with the LaAl structure type Prev Next Title: Structure and magnetic properties of Ce(NiAlGa)-A new phase with the ...

  5. Microsoft Word - chapter FeNiCrMo_ver4.doc

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

    The carbon and alloy steel categories selected for the Technical Reference for Hydrogen ... Since a full range of data is not available for each steel, data for all Ni-Cr-Mo steels ...

  6. Electronic Structure and Lattice Dynamics of the Magnetic Shape Memory Alloy Co2NiGa

    SciTech Connect (OSTI)

    Siewert, M.; Shapiro, S.; Gruner, M.E.; Dannenberg, A.; Hucht, A.; Xu, G.; Schlagel, D.L.; Lograsso, T.A.; Entel1, P.

    2010-08-20

    In addition to the prototypical Ni-Mn-based Heusler alloys, the Co-Ni-Ga systems have recently been suggested as another prospective materials class for magnetic shape-memory applications. We provide a characterization of the dynamical properties of this material and their relation to the electronic structure within a combined experimental and theoretical approach. This relies on inelastic neutron scattering to obtain the phonon dispersion while first-principles calculations provide the link between dynamical properties and electronic structure. In contrast to Ni{sub 2}MnGa, where the softening of the TA{sub 2} phonon branch is related to Fermi-surface nesting, our results reveal that the respective anomalies are absent in Co-Ni-Ga, in the phonon dispersions as well as in the electronic structure.

  7. Modeling and Characterization of the Magnetocaloric Effect in Ni2MnGa Materials

    SciTech Connect (OSTI)

    Nicholson, Don M; Odbadrakh, Khorgolkhuu; Rios, Orlando; Hodges, Jason P; Ludtka, Gerard Michael; Porter, Wallace D; Sefat, A. S.; Rusanu, Aurelian; Evans III, Boyd Mccutchen

    2012-01-01

    Magnetic shape memory alloys have great promise as magneto-caloric effect refrigerant materials due to their combined magnetic and structural transitions. Computational and experimental research is reported on the Ni2MnGa material system. The magnetic states of this system have been explored using the Wang-Landau statistical approach in conjunction with the Locally Self-consistent Multiple-Scattering (LSMS) method to explore the magnetic states responsible for the magnet-caloric effect in this material. The effects of alloying agents on the transition temperatures of the Ni2MnGa alloy were investigated using differential scanning calorimetry (DSC) and superconducting quantum interference device (SQUID). Neutron scattering experiments were performed to observe the structural and magnetic phase transformations at the Spallation Neutron Source (SNS) at Oak Ridge National Laboratory (ORNL) on alloys of Ni-Mn-Ga and Ni-Mn-Ga-Cu-Fe. Data from the observations are discussed in comparison with the computational studies.

  8. Enhanced Thermal Stability of W-Ni-Al2O3 Cermet-Based Spectrally...

    Office of Scientific and Technical Information (OSTI)

    Solar Absorbers with Tungsten Infrared Reflectors Citation Details In-Document Search Title: Enhanced Thermal Stability of W-Ni-Al2O3 Cermet-Based Spectrally Selective Solar ...

  9. Contact-induced spin polarization of monolayer hexagonal boron nitride on Ni(111)

    SciTech Connect (OSTI)

    Ohtomo, Manabu; Entani, Shiro; Matsumoto, Yoshihiro; Naramoto, Hiroshi; Sakai, Seiji; Yamauchi, Yasushi; Kuzubov, Alex A.; Eliseeva, Natalya S.; Avramov, Pavel V.

    2014-02-03

    Hexagonal boron nitride (h-BN) is a promising barrier material for graphene spintronics. In this Letter, spin-polarized metastable de-excitation spectroscopy (SPMDS) is employed to study the spin-dependent electronic structure of monolayer h-BN/Ni(111). The extreme surface sensitivity of SPMDS enables us to elucidate a partial filling of the in-gap states of h-BN without any superposition of Ni 3d signals. The in-gap states are shown to have a considerable spin polarization parallel to the majority spin of Ni. The positive spin polarization is attributed to the π-d hybridization and the effective spin transfer to the nitrogen atoms at the h-BN/Ni(111) interface.

  10. Ni-Si Alloys for the S-I Reactor-Hydrogen Production Process Interface

    SciTech Connect (OSTI)

    Joseph W. Newkirk; Richard K. Brow

    2010-01-21

    The overall goal of this project was to develop Ni-Si alloys for use in vessels to contain hot, pressurized sulfuric acid. The application was to be in the decomposition loop of the thermochemical cycle for production of hydrogen.

  11. Hydrogen absorption characteristics of amorphous LaNi[sub 5. 0] films prepared by reactive sputtering

    SciTech Connect (OSTI)

    Sakaguchi, H.; Tsujimoto, T.; Adachi, Ginya (Osaka University, Suita (Japan))

    1993-01-01

    Amorphous LaNi[sub 5] thin films are expected to be one of the promising materials for use in hydrogen separation and battery electrodes, because the durability of the films is great in regard to the hydrogen absorption-desorption cycling process and the films have excellent resistance to harmful impurities in the hydrogen gas in comparison with the crystalline bulk material. An amorphous LaNi[sub 5.0] film having high hydrogen density and low hydrogen-induced stress was obtained by means of a reactive sputtering method using an Ar-H[sub 2] gas mixture. Pressure-composition isotherms show that the amount of hydrogen (H/LaNi[sub 5.0]) taken up by a formula weight of LaNi[sub 5.0] is about 1.5 times larger for the reactive sputtered film than for the conventional sputtered film prepared by using Ar gas. 18 refs., 1 fig, 1 tabs.

  12. Experimental determination of band offsets of NiO-based thin film heterojunctions

    SciTech Connect (OSTI)

    Kawade, Daisuke; Sugiyama, Mutsumi, E-mail: mutsumi@rs.noda.tus.ac.jp [Faculty of Science and Technology/Research Institute for Science and Technology, Tokyo University of Science, 2641 Yamazaki, Noda 278-8510 (Japan); Chichibu, Shigefusa F. [Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, 2-1-1 Katahira, Aoba, Sendai 9808577 (Japan)

    2014-10-28

    The energy band diagrams of NiO-based solar cell structures that use various n-type oxide semiconductors such as ZnO, Mg{sub 0.3}Zn{sub 0.7}O, Zn{sub 0.5}Sn{sub 0.5}O, In{sub 2}O{sub 3}:Sn (ITO), SnO{sub 2}, and TiO{sub 2} were evaluated by photoelectron yield spectroscopy. The valence band discontinuities were estimated to be 1.6?eV for ZnO/NiO and Mg{sub 0.3}Zn{sub 0.7}O/NiO, 1.7?eV for Zn{sub 0.5}Sn{sub 0.5}O/NiO and ITO/NiO, and 1.8?eV for SnO{sub 2}/NiO and TiO{sub 2}/NiO heterojunctions. By using the valence band discontinuity values and corresponding energy bandgaps of the layers, energy band diagrams were developed. Judging from the band diagram, an appropriate solar cell consisting of p-type NiO and n-type ZnO layers was deposited on ITO, and a slight but noticeable photovoltaic effect was obtained with an open circuit voltage (V{sub oc}) of 0.96?V, short circuit current density (J{sub sc}) of 2.2??A/cm{sup 2}, and fill factor of 0.44.

  13. Heat treatment of NiCrFe alloy 600 to optimize resistance to intergranular stress corrosion

    DOE Patents [OSTI]

    Steeves, A.F.; Bibb, A.E.

    A process of producing a NiCrFe alloy having a high resistance to stress corrosion cracking comprises heating a NiCrFe alloy to a temperature sufficient to enable the carbon present in the alloy body in the form of carbide deposits to enter into solution, rapidly cooling the alloy body, and heating the cooled body to a temperature between 1100 to 1500/sup 0/F for about 1 to 30 hours.

  14. Heat treatment of NiCrFe alloy to optimize resistance to intergrannular stress corrosion

    DOE Patents [OSTI]

    Steeves, Arthur F.; Bibb, Albert E.

    1984-01-01

    A process of producing a NiCrFe alloy having a high resistance to stress corrosion cracking comprising heating a NiCrFe alloy to a temperature sufficient to enable the carbon present in the alloy body in the form of carbide deposits to enter into solution, rapidly cool the alloy body, and heat the cooled body to a temperature between 1100.degree. to 1500.degree. F. for about 1 to 30 hours.

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

    SciTech Connect (OSTI)

    Connelley, Michael S.; Greene, Thomas P.

    2014-06-01

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

  16. Experimental determination and thermodynamic modeling of the Ni-Re binary system

    SciTech Connect (OSTI)

    Yaqoob, Khurram; Joubert, Jean-Marc

    2012-12-15

    The phase diagram of the Ni-Re binary system has been partially reinvestigated by chemical, structural and thermal characterization of the arc melted alloys. The experimental results obtained during the present investigation were combined with the literature data and a new phase diagram of the Ni-Re binary system is proposed. In comparison with the Ni-Re phase diagram proposed by Nash et al. in 1985 [1], significant differences in the homogeneity domains, freezing ranges and peritectic reaction temperature were evidenced. On the other hand, thermodynamic modeling of the studied system by using the new experimental information has also been carried out with the help of the CALPHAD method. The calculated Ni-Re phase diagram showed a good agreement with the selected experimental information. - Graphical abstract: Ni-Re phase diagram according to the present study. Highlights: Black-Right-Pointing-Pointer Re-investigation of the Ni-Re phase diagram. Black-Right-Pointing-Pointer Extended phase field of the hcp phase. Black-Right-Pointing-Pointer Different freezing ranges and peritectic reaction temperature. Black-Right-Pointing-Pointer Thermodynamic modeling of the studied system by using the CALPHAD method.

  17. An Update on Improvements to NiCE Support for RELAP-7

    SciTech Connect (OSTI)

    McCaskey, Alex; Wojtowicz, Anna; Deyton, Jordan H.; Patterson, Taylor C.; Billings, Jay Jay

    2015-01-01

    The Multiphysics Object-Oriented Simulation Environment (MOOSE) is a framework that facilitates the development of applications that rely on finite-element analysis to solve a coupled, nonlinear system of partial differential equations. RELAP-7 represents an update to the venerable RELAP-5 simulator that is built upon this framework and attempts to model the balance-of-plant concerns in a full nuclear plant. This report details the continued support and integration of RELAP-7 and the NEAMS Integrated Computational Environment (NiCE). RELAP-7 is fully supported by the NiCE due to on-going work to tightly integrate NiCE with the MOOSE framework, and subsequently the applications built upon it. NiCE development throughout the first quarter of FY15 has focused on improvements, bug fixes, and feature additions to existing MOOSE-based application support. Specifically, this report will focus on improvements to the NiCE MOOSE Model Builder, the MOOSE application job launcher, and the 3D Nuclear Plant Viewer. This report also includes a comprehensive tutorial that guides RELAP-7 users through the basic NiCE workflow: from input generation and 3D Plant modeling, to massively parallel job launch and post-simulation data visualization.

  18. Diversity, Function and Evolution of Genes Coding for Putative Ni-Containing Superoxide Dismutases

    SciTech Connect (OSTI)

    Dupont,C.; Neupane, K.; Shearer, J.; Palenik, B.

    2008-01-01

    We examined the phylogenetic distribution, functionality and evolution of the sodN gene family, which has been shown to code for a unique Ni-containing isoform of superoxide dismutase (Ni-SOD) in Streptomyces. Many of the putative sodN sequences retrieved from public domain genomic and metagenomic databases are quite divergent from structurally and functionally characterized Ni-SOD. Structural bioinformatics studies verified that the divergent members of the sodN protein family code for similar three-dimensional structures and identified evolutionarily conserved amino acid residues. Structural and biochemical studies of the N-terminus 'Ni-hook' motif coded for by the putative sodN sequences confirmed both Ni (II) ligating and superoxide dismutase activity. Both environmental and organismal genomes expanded the previously noted phylogenetic distribution of sodN, and the sequences form four well-separated clusters, with multiple subclusters. The phylogenetic distribution of sodN suggests that the gene has been acquired via horizontal gene transfer by numerous organisms of diverse phylogenetic background, including both Eukaryotes and Prokaryotes. The presence of sodN correlates with the genomic absence of the gene coding for Fe-SOD, a structurally and evolutionarily distinct isoform of SOD. Given the low levels of Fe found in the marine environment from where many sequences were attained, we suggest that the replacement of Fe-SOD with Ni-SOD may be an evolutionary adaptation to reduce iron requirements.

  19. Metallic glass alloys of Zr, Ti, Cu and Ni

    DOE Patents [OSTI]

    Lin, Xianghong; Peker, Atakan; Johnson, William L.

    1997-01-01

    At least quaternary alloys form metallic glass upon cooling below the glass transition temperature at a rate less than 10.sup.3 K/s. Such alloys comprise titanium from 19 to 41 atomic percent, an early transition metal (ETM) from 4 to 21 atomic percent and copper plus a late transition metal (LTM) from 49 to 64 atomic percent. The ETM comprises zirconium and/or hafnium. The LTM comprises cobalt and/or nickel. The composition is further constrained such that the product of the copper plus LTM times the atomic proportion of LTM relative to the copper is from 2 to 14. The atomic percentage of ETM is less than 10 when the atomic percentage of titanium is as high as 41, and may be as large as 21 when the atomic percentage of titanium is as low as 24. Furthermore, when the total of copper and LTM are low, the amount of LTM present must be further limited. Another group of glass forming alloys has the formula (ETM.sub.1-x Ti.sub.x).sub.a Cu.sub.b (Ni.sub.1-y Co.sub.y).sub.c wherein x is from 0.1 to 0.3, y.cndot.c is from 0 to 18, a is from 47 to 67, b is from 8 to 42, and c is from 4 to 37. This definition of the alloys has additional constraints on the range of copper content, b.

  20. Magnetic viscosity in Ni/Cu compositionally-modulated alloys

    SciTech Connect (OSTI)

    Bennett, L.H.; Swartzendruber, L.J.; Ettedgui, H.; Atzmony, U.; Lashmore, D.S; Watson, R.E.; Brookhaven National Lab., Upton, NY )

    1989-01-01

    The existence of a magnetic aftereffect ( magnetic viscosity'') in Ni/Cu multilayered alloys was established using a vibrating sample magnetometer at room temperature and at 86 K. It was shown that the effect is strongly dependent on the step field, H{sub 2} (i.e., the value the field is reduced to after the magnetic moment has been aligned in high field) and exhibits a maximum relaxation rate for values of H{sub 2} around the reverse coercive field, {minus}H{sub c}. Aftereffect behavior of this type has been observed in other materials, though most often for systems composed of superparamagnetic particles, where the relaxation freezes out at low temperatures. In contrast, the relaxation in the CMA was shown to be enhanced at 86 K over its value at room temperature. New measurements over a wider temperature range show that the enhancement in this sample reaches a maximum near 120 K, but below that temperature the relaxation does freeze out. The temperature of maximum enhancement varies from sample to sample. 6 refs.

  1. Electrochemical Testing of Ni-Cr-Mo-Gd Alloys

    SciTech Connect (OSTI)

    T. E. Lister; R. E. Mizia; H. Tian

    2005-10-01

    The waste package site recommendation design specified a boron-containing stainless steel, Neutronit 976/978, for fabrication of the internal baskets that will be used as a corrosion-resistant neutron-absorbing material. Recent corrosion test results gave higher-than-expected corrosion rates for this material. The material callout for these components has been changed to a Ni-Cr-Mo-Gd alloy (ASTM-B 932-04, UNS N06464) that is being developed at the Idaho National Laboratory. This report discusses the results of initial corrosion testing of this material in simulated in-package environments that could contact the fuel baskets after breach of the waste package outer barrier. The corrosion test matrix was executed using the potentiodynamic and potentiostatic electrochemical test techniques. The alloy performance shows low rates of general corrosion after initial removal of a gadolinium-rich second phase that intersects the surface. The high halide-containing test solutions exhibited greater tendencies toward initiation of crevice corrosion.

  2. Interplay between out-of-plane anisotropic L1{sub 1}-type CoPt and in-plane anisotropic NiFe layers in CoPt/NiFe exchange springs

    SciTech Connect (OSTI)

    Saravanan, P.; Hsu, Jen-Hwa Tsai, C. L.; Tsai, C. Y.; Lin, Y. H.; Kuo, C. Y.; Wu, J.-C.; Lee, C.-M.

    2014-06-28

    Films of L1{sub 1}-type CoPt/NiFe exchange springs were grown with different NiFe (Permalloy) layer thickness (t{sub NiFe} = 0–10 nm). X-ray diffraction analysis reveals that the characteristic peak position of NiFe(111) is not affected by the CoPt-layer—confirming the absence of any inter-diffusion between the CoPt and NiFe layers. Magnetic studies indicate that the magnetization orientation of NiFe layer can be tuned through varying t{sub NiFe} and the perpendicular magnetic anisotropy of L1{sub 1}-type CoPt/NiFe films cannot sustain for t{sub NiFe} larger than 3.0 nm due to the existence of exchange interaction at the interface of L1{sub 1}-CoPt and NiFe layers. Magnetic force microscopy analysis on the as-grown samples shows the changes in morphology from maze-like domains with good contrast to hazy domains when t{sub NiFe} ≥ 3.0 nm. The three-dimensional micro-magnetic simulation results demonstrate that the magnetization orientation in NiFe layer is not uniform, which continuously increases from the interface to the top of NiFe layer. Furthermore, the tilt angle of the topmost NiFe layers can be changed over a very wide range from a small number to about 75° by varying t{sub NiFe} from 1 to 10 nm. It is worth noting that there is an abrupt change in the magnetization direction at the interface, for all the t{sub NiFe} investigated. The results of present study demonstrate that the tunable tilted exchange springs can be realized with L1{sub 1}-type CoPt/NiFe bilayers for future applications in three-axis magnetic sensors or advanced spintronic devices demanding inclined magnetic anisotropy.

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

    Broader source: Energy.gov [DOE]

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

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

    SciTech Connect (OSTI)

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

    2015-07-01

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

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

    SciTech Connect (OSTI)

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

    2012-09-06

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

  6. Insulating and metallic spin glass in Ni-doped KxFe2-ySe? single crystals

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

    Ryu, Hyejin; Abeykoon, Milinda; Wang, Kefeng; Lei, Hechang; Lazarevic, N.; Warren, J. B.; Bozin, E. S.; Popovic, Z. V.; Petrovic, C.

    2015-05-04

    We report electron doping effects by Ni in KxFe2-?-yNiySe? (0.06 ? y ? 1.44) single crystal alloys. A rich ground state phase diagram is observed. A small amount of Ni (~ 4%) suppressed superconductivity below 1.8 K, inducing insulating spin glass magnetic ground state for higher Ni content. With further Ni substitution, metallic resistivity is restored. For high Ni concentration in the lattice the unit cell symmetry is high symmetry I4/mmm with no phase separation whereas both I4/m + I4/mmm space groups were detected in the phase separated crystals when concentration of Ni morewith the absence of crystalline Fe vacancy order.less

  7. Insulating and metallic spin glass in Ni-doped K x Fe 2 - y Se 2 single crystals

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

    Ryu, Hyejin; Abeykoon, Milinda; Wang, Kefeng; Lei, Hechang; Lazarevic, N.; Warren, J. B.; Bozin, E. S.; Popovic, Z. V.; Petrovic, C.

    2015-05-04

    We report electron doping effects by Ni in KxFe2-δ-yNiySe₂(0.06≤y≤1.44) single-crystal alloys. A rich ground-state phase diagram is observed. A small amount of Ni (~4%) suppressed superconductivity below 1.8 K, inducing insulating spin-glass magnetic ground state for higher Ni content. With further Ni substitution, metallic resistivity is restored. For high Ni concentration in the lattice the unit cell symmetry is high symmetry I4/mmm with no phase separation whereas both I4/m+I4/mmm space groups were detected in the phase separated crystals when concentration of Ni < Fe. The absence of superconductivity coincides with the absence of crystalline Fe vacancy order.

  8. Observation of Precipitation Evolution in Fe-Ni-Mn-Ti-Al Maraging Steel using Atom Probe Tomography

    SciTech Connect (OSTI)

    Pereloma, E. V.; Stohr, R A; Miller, Michael K; Ringer, S. P.

    2009-01-01

    We describe the full decomposition sequence in an Fe-Ni-Mn-Ti-Al maraging steel during isothermal annealing at 550 C. Following significant pre-precipitation clustering reactions within the supersaturated martensitic solid solution, (Ni,Fe){sub 3}Ti and (Ni,Fe){sub 3}(Al,Mn) precipitates eventually form after isothermal aging for {approx}60 seconds. The morphology of the (Ni,Fe){sub 3}Ti particles changes gradually during aging from predominantly plate-like to rod-like, and, importantly, Mn and Al were observed to segregate to these precipitate/matrix interfaces. The (Ni,Fe){sub 3}(Al,Mn) precipitates occurred at two main locations: uniformly within the matrix and at the periphery of the (Ni,Fe){sub 3}Ti particles. We relate this latter mode of precipitation to the Mn-Al segregation.

  9. Magnetic structures of R5Ni2In4 and R 11Ni4In9 ( R = Tb and Ho): strong hierarchy in the temperature dependence of the magnetic ordering in the multiple rare-earth sublattices

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

    Ritter, C.; Provino, A.; Manfrinetti, P.; Pecharsky, V. K.; Gschneidner, K. A.; Dhar, S. K.

    2015-11-09

    The magnetic properties and magnetic structures of the R5Ni2In4 and the microfibrous R 11Ni4In9 compounds with R = Tb and Ho have been examined using magnetization, heat capacity, and neutron diffraction data. Rare earth atoms occupy three and five symmetrically inequivalent rare earth sites in R5Ni2In4 and R 11Ni4In9 compounds, respectively. As a result of the intra- and inter-magnetic sublattice interactions, the magnetic exchange interactions are different for various rare earth sites; this leads to a cascade of magnetic transitions with a strong hierarchy in the temperature dependence of the magnetic orderings.

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

    SciTech Connect (OSTI)

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

    2012-02-01

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

  11. Study on the reduction of atmospheric mercury emissions from mine waste enriched soils through native grass cover in the Mt. Amiata region of Italy

    SciTech Connect (OSTI)

    Fantozzi, L.; Dini, F.; Tamburello, L.; Pirrone, N.; Sprovieri, F.

    2013-08-15

    Atmospheric mercury emissions from mine-waste enriched soils were measured in order to compare the mercury fluxes of bare soils with those from other soils covered by native grasses. Our research was conducted near Mt. Amiata in central Italy, an area that was one of the largest and most productive mining centers in Europe up into the 1980s. To determine in situ mercury emissions, we used a Plexiglas flux chamber connected to a portable mercury analyzer (Lumex RA-915+). This allowed us to detect, in real time, the mercury vapor in the air, and to correlate this with the meteorological parameters that we examined (solar radiation, soil temperature, and humidity). The highest mercury flux values (8000 ng m{sup −2} h{sup −1}) were observed on bare soils during the hours of maximum insulation, while lower values (250 ng m{sup −2} h{sup −1}) were observed on soils covered by native grasses. Our results indicate that two main environmental variables affect mercury emission: solar radiation intensity and soil temperature. The presence of native vegetation, which can shield soil surfaces from incident light, reduced mercury emissions, a result that we attribute to a drop in the efficiency of mercury photoreduction processes rather than to decreases in soil temperature. This finding is consistent with decreases in mercury flux values down to 3500 ng m{sup −2} h{sup −1}, which occurred under cloudy conditions despite high soil temperatures. Moreover, when the soil temperature was 28 °C and the vegetation was removed from the experimental site, mercury emissions increased almost four-fold. This increase occurred almost immediately after the grasses were cut, and was approximately eight-fold after 20 h. Thus, this study demonstrates that enhancing wild vegetation cover could be an inexpensive and effective approach in fostering a natural, self-renewing reduction of mercury emissions from mercury-contaminated soils. -- Highlights: ► Mercury air/surface exchange

  12. Exploring the influence of transfer channels on fusion reactions: The case of 40 Ca + 58,64 Ni

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

    Bourgin, D.; Courtin, S.; Haas, F.; Goasduff, A.; Stefanini, A. M.; Montagnoli, G.; Montanari, D.; Corradi, L.; Huiming, J.; Scarlassara, F.; et al

    2015-01-29

    Fusion cross sections have been measured in the 40Ca + 58Ni and 40Ca + 64Ni systems at beam energies ranging from Elab = 104.75 MeV to 153.5 MeV using the Laboratori Nazionali di Legnaro electrostatic deflector. Distributions of barriers have been extracted from the experimental data. Preliminary coupled channel calculations were performed and hints of effects of neutron transfers on the fusion below the barrier in the 40Ca + 64Ni are discussed.

  13. In Situ Time-Resolved Characterization of Ni-MoO2 Catalysts for the Water-Gas Shift Reaction

    SciTech Connect (OSTI)

    Wen,W.; Calderon, J.; Brito, J.; Marinkovic, N.; Hanson, J.; Rodriquez, J.

    2008-01-01

    Active catalysts for the water-gas shift (WGS, CO + H2O ? H2 + CO2) reaction were synthesized from nickel molybdates ({beta}-NiMoO4 and nH2O{center_dot}NiMoO4) as precursors, and their structural transformations were monitored using in situ time-resolved X-ray diffraction and X-ray absorption near-edge spectroscopy. In general, the nickel molybdates were not stable and underwent partial reduction in the presence of CO or CO/H2O mixtures at high temperatures. The interaction of {beta}-NiMoO4 with the WGS reactants at 500 C led to the formation of a mixture of Ni (24 nm particle size) and MoO2 (10 nm particle size). These Ni-MoO2 systems displayed good catalytic activity at 350, 400, and 500 C. At 350 and 400 C, catalytic tests revealed that the Ni-MoO2 system was much more active than isolated Ni (some activity) or isolated MoO2 (negligible activity). Thus, cooperative interactions between the admetal and oxide support were probably responsible for the high WGS activity of Ni-MoO2. In a second synthetic approach, the NiMoO4 hydrate was reduced to a mixture of metallic Ni, NiO, and amorphous molybdenum oxide by direct reaction with H2 gas at 350 C. In the first pass of the water-gas shift reaction, MoO2 appeared gradually at 500 C with a concurrent increase of the catalytic activity. For these catalysts, the particle size of Ni (4 nm) was much smaller than that of the MoO2 (13 nm). These systems were found to be much more active WGS catalysts than Cu-MoO2, which in turn is superior to commercial low-temperature Cu-ZnO catalysts.

  14. Metallic glass alloys of Zr, Ti, Cu and Ni

    DOE Patents [OSTI]

    Lin, X.; Peker, A.; Johnson, W.L.

    1997-04-08

    At least quaternary alloys form metallic glass upon cooling below the glass transition temperature at a rate less than 10{sup 3} K/s. Such alloys comprise titanium from 19 to 41 atomic percent, an early transition metal (ETM) from 4 to 21 atomic percent and copper plus a late transition metal (LTM) from 49 to 64 atomic percent. The ETM comprises zirconium and/or hafnium. The LTM comprises cobalt and/or nickel. The composition is further constrained such that the product of the copper plus LTM times the atomic proportion of LTM relative to the copper is from 2 to 14. The atomic percentage of ETM is less than 10 when the atomic percentage of titanium is as high as 41, and may be as large as 21 when the atomic percentage of titanium is as low as 24. Furthermore, when the total of copper and LTM are low, the amount of LTM present must be further limited. Another group of glass forming alloys has the formula (ETM{sub 1{minus}x}Ti{sub x}){sub a} Cu{sub b} (Ni{sub 1{minus}y}Co{sub y}){sub c} wherein x is from 0.1 to 0.3, y{center_dot}c is from 0 to 18, a is from 47 to 67, b is from 8 to 42, and c is from 4 to 37. This definition of the alloys has additional constraints on the range of copper content, b. 2 figs.

  15. 119Sn-NMR investigations on superconducting Ca3Ir4Sn13: Evidence for multigap superconductivity

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

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

    2015-09-25

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

  16. Kinetic study of hydrogen evolution reaction on Ni{sub 30} Mo{sub 70}, Co{sub 30}Mo{sub 70}, Co{sub 30}Ni{sub 70} and Co{sub 10}Ni{sub 20}Mo{sub 70} alloy electrodes

    SciTech Connect (OSTI)

    Dominguez-Crespo, M.A.; Plata-Torres, M.; Torres-Huerta, A.M.; Arce-Estrada, E.M. . E-mail: earce@ipn.mx; Hallen-Lopez, J.M.

    2005-07-15

    The hydrogen evolution reaction on nanocrystalline Ni{sub 30}Mo{sub 70}, Co{sub 30}Mo{sub 70}, Co{sub 30}Ni{sub 70}, and Co{sub 10}Ni{sub 20}Mo{sub 70}, metallic powders prepared by mechanical alloying was investigated with linear polarization and ac impedance methods, in 30 wt.% KOH aqueous solution at room temperature. The formation process and structural properties of these nanocrystalline materials were characterized by X-ray diffraction and transmission electron microscopy. Alloyed powders showed the presence of two phases: an fcc solid solution and intermetallic compounds of Ni, Co and Mo. Based on polarization and ac impedance measurements, an improved electrocatalytic activity for hydrogen evolution reaction was observed in mechanically alloyed Co{sub 30}Ni{sub 70} powders, which is slightly higher than milled metallic Ni powders.

  17. Reducing the deactivation of Ni-metal during the catalytic partial oxidation of a surrogate diesel fuel mixture

    SciTech Connect (OSTI)

    Haynes, Daniel J.; Campos, Andrew; Smith, Mark W.; Berry, David A.; Shekhawat, Dushyant; Spivey, James J.

    2010-09-01

    Ni catalysts are active and selective for the conversion of hydrocarbon into synthesis gas. However, conventional supported Ni catalysts rapidly deactivate at the high temperatures required for partial oxidation of diesel fuel by sintering and metal vaporization, as well as by carbon deposition and sulfur poisoning. Thus, to reduce deactivation Ni (3 wt%) was substituted into the structures of Ba-hexaaluminate (BNHA) and La–Sr–Zr pyrochlore (LSZN), and their activity was compared to a supported Ni/Al2O3 for the catalytic partial oxidation (CPOX) of a surrogate diesel fuel. Characterization by XRD showed a single phase -alumina for the hexaaluminate, while LSZN had a pyrochlore structure with a defect SrZrO3 perovskite phase. Temperature programmed reduction experiments confirmed Ni was reducible in all catalysts. XANES results confirmed that Ni atoms were substituted into the hexaaluminate and pyrochlore structures, as spectra for each catalyst showed different coordination environments for Ni compared to a NiO standard. During CPOX activity tests (T = 900°C and WHSV= 50,000 scc/gcat/h), the LSZN pyrochlore produced stable H2 and CO yields in the presence of 5 wt% 1-methylnaphthalene and 50ppmw dibenzothiophene/n-tetradecane for 2 h, while both Ni/Al2O3 and BNHA catalysts were irreversibly deactivated by this mixture over the same time. Activity loss was strongly linked to carbon formation

  18. A Summary of Tritium In-Bed Accountability for 1500 Liter La-Ni-Al Storage Beds

    SciTech Connect (OSTI)

    Klein, J.E.

    2001-07-31

    This paper summarizes the in-bed accountability (IBA) calibration results for all the RF LaNi4.25Al0.75 tritium storage beds.

  19. Structure and properties of Nd{sub 5}Ni{sub 6}In{sub 11}

    SciTech Connect (OSTI)

    Poettgen, R.; Hoffman, R.D.; Kremer, R.K.; Schnelle, W.

    1999-01-01

    The title compound was prepared from the elements by a reaction in an arc melting furnace and subsequent annealing at 970 K. Nd{sub 5}Ni{sub 6}In{sub 11} crystallizes with the orthorhombic Pr{sub 5}Ni{sub 6}In{sub 11}-type structure: Cmmm, a = 1455.9(3) pm, b = 1453.3(3) pm, c = 438.3(1) pm, V = 0.9274(2) nm{sup 3}, wR{sub 2} = 0.0551, 1086 F{sup 2} values, and 42 variables. The structure of Nd{sub 5}Ni{sub 6}In{sub 11} is built up from a complex three-dimensionally infinite [Ni{sub 6}In{sub 11}] polyanionic network in which the neodymium atoms occupy pentagonal and hexagonal channels. Magnetic susceptibility measurements indicate Curie-Weiss behavior above 150 K with an experimental magnetic moment of 3.60(5) {mu}{sub B}/Nd and a paramagnetic Curie temperature of {minus}18(1) K. Antiferromagnetic ordering is detected at T{sub N} = 11.4(1) K. Field- and temperature-dependent magnetization data indicate a complex magnetic phase diagram with spin reorientations into three antiferro- and one ferrimagnetic phase. The magnetic data are supported by specific heat measurements. Nd{sub 5}Ni{sub 6}In{sub 11} is a metallic conductor with a specific resistivity of 120 {mu}{Omega} cm at room temperature.

  20. Stability of Surface and Subsurface Hydrogen on and in Au/Ni Near-Surface Alloys

    SciTech Connect (OSTI)

    Celik, Fuat E.; Mavrikakis, Manos

    2015-10-01

    Periodic, self-consistent DFT-GGA (PW91) calculations were used to study the interaction of hydrogen atoms with the (111) surfaces of substitutional near-surface alloys (NSAs) of Au and Ni with different surface layer compositions and different arrangements of Au atoms in the surface layer. The effect of hydrogen adsorption on the surface and in the first and second subsurface layers of the NSAs was studied. Increasing the Au content in the surface layer weakens hydrogen binding on the surface, but strengthens subsurface binding, suggesting that the distribution of surface and subsurface hydrogen will be different than that on pure Ni(111). While the metal composition of the surface layer has an effect on the binding energy of hydrogen on NSA surfaces, the local composition of the binding site has a stronger effect. For example, fcc hollow sites consisting of three Ni atoms bind H nearly as strongly as on Ni(111), and fcc sites consisting of three Au atoms bind H nearly as weakly as on Au(111). Sites with one or two Au atoms show intermediate binding energies. The preference of hydrogen for three-fold Ni hollow sites alters the relative stabilities of different surface metal atom arrangements, and may provide a driving force for adsorbate-induced surface rearrangement.

  1. Direct Observation of Photoinduced Charge Separation in Ruthenium Complex/Ni(OH)2 Nanoparticle Hybrid

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

    Tang, Yu; Pattengale, Brian A.; Ludwig, John M.; Atifi, Abderrahman; Zinovev, Alexander V.; Dong, Bin; Kong, Qingyu; Zuo, Xiaobing; Zhang, Xiaoyi; Huang, Jier

    2015-12-17

    We report that Ni(OH)2 have emerged as important functional materials for solar fuel conversion because of their potential as cost-effective bifunctional catalysts for both hydrogen and oxygen evolution reactions. However, their roles as photocatalysts in the photoinduced charge separation (CS) reactions remain unexplored. In this paper, we investigate the CS dynamics of a newly designed hybrid catalyst by integrating a Ru complex with Ni(OH)2 nanoparticles (NPs). Using time resolved X-ray absorption spectroscopy (XTA), we directly observed the formation of the reduced Ni metal site (~60 ps), unambiguously demonstrating CS process in the hybrid through ultrafast electron transfer from Ru complexmore » to Ni(OH)2 NPs. Compared to the ultrafast CS process, the charge recombination in the hybrid is ultraslow (>>50 ns). These results not only suggest the possibility of developing Ni(OH)2 as solar fuel catalysts, but also represent the first time direct observation of efficient CS in a hybrid catalyst using XTA.« less

  2. Aging effects in palladium and LaNi sub 4. 25 Al sub 0. 75 tritides

    SciTech Connect (OSTI)

    Nobile, A.; Wermer, J.R. ); Walters, R.T. . Plasma Physics Lab.)

    1992-03-01

    Palladium and LaNi{sub 5{minus}x}Al{sub x} (x = 0.30, 0.75, 0.85), which from reversible hydrides, are used for tritium processing and storage in the Savannah River Site (SRS) tritium facilities. As part of a program to develop technology based on the use of reversible metal hydrides for tritium processing and storage, the effects of aging on the thermodynamic behavior of palladium and LaNi{sub 4.25}Al{sub 0.75} tritides are under investigation. During aging, the {sup 3}He tritium decay product remains in the tritide lattice and changes the thermodynamics of the tritium-metal tritide system. Aging effects in 755-day-aged palladium and 1423-day-aged LaNi{sub 4.25}Al{sub 0.75} tritides are reported. Changes in the thermodynamics are determined by measuring tritium desorption isotherms on aging samples. In palladium, aging deceases the desorption isotherm plateau pressure and changes the {alpha}-phase portion of the isotherm. aging-induced changes in desorption isotherms are more drastic in LaNi{sub 4.25}Al{sub 0.75}. Various processes occurring in the tritide lattice which might be responsible for the observed aging effects in palladium and LaNi{sub 4.25}Al{sub 0.75} tritides are discussed in this paper.

  3. Hybrid density functional theory description of N- and C-doping of NiO

    SciTech Connect (OSTI)

    Nolan, Michael; Long, Run; English, Niall J.; Mooney, Damian A.

    2011-06-14

    The large intrinsic bandgap of NiO hinders its potential application as a photocatalyst under visible-light irradiation. In this study, we have performed first-principles screened exchange hybrid density functional theory with the HSE06 functional calculations of N- and C-doped NiO to investigate the effect of doping on the electronic structure of NiO. C-doping at an oxygen site induces gap states due to the dopant, the positions of which suggest that the top of the valence band is made up primarily of C 2p-derived states with some Ni 3d contributions, and the lowest-energy empty state is in the middle of the gap. This leads to an effective bandgap of 1.7 eV, which is of potential interest for photocatalytic applications. N-doping induces comparatively little dopant-Ni 3d interactions, but results in similar positions of dopant-induced states, i.e., the top of the valence band is made up of dopant 2p states and the lowest unoccupied state is the empty gap state derived from the dopant, leading to bandgap narrowing. With the hybrid density functional theory (DFT) results available, we discuss issues with the DFT corrected for on-site Coulomb description of these systems.

  4. Imaging of electrical response of NiOx under controlled environment with sub-25-nm resolution

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

    Jacobs, Christopher B.; Ievlev, Anton V.; Collins, Liam F.; Muckley, Eric S.; Joshi, Pooran C.; Ivanov, Ilia N.

    2016-07-19

    The spatially resolved electrical response of rf-sputtered polycrystalline NiOx films composed of 40 nm crystallites was investigated under different relative humidity levels (RH). The topological and electrical properties (surface potential and resistance) were characterized using Kelvin probe force microscopy (KPFM) and conductive scanning probe microscopy at 0%, 50%, and 80% relative humidity with sub 25nm resolution. The surface potential of NiOx decreased by about 180 mV and resistance decreased in a nonlinear fashion by about 2 G when relative humidity was increased from 0% to 80%. The dimensionality of surface features obtained through autocorrelation analysis of topological, surface potential andmore » resistance maps increased linearly with increased relative humidity as water was adsorbed onto the film surface. Spatially resolved surface potential and resistance of the NiOx films were found to be heterogeneous, with distinct features that grew in size from about 60 nm to 175 nm between 0% and 80% RH levels, respectively. Here, we find that the changes in the heterogeneous character of the NiO films are consistent through the topological, surface potential, and resistance measurements, suggesting that the nanoscale surface potential and resistance properties converge with the mesoscale properties as water is adsorbed onto the NiOx film.« less

  5. Effect of Surface Termination on the Electonic Properties of LaNiO? Films

    SciTech Connect (OSTI)

    Kumah, Divine P.; Malashevich, Andrei; Disa, Ankit S.; Arena, Dario A.; Walker, Fred J.; Ismail-Beigi, Sohrab; Ahn, Charles H.

    2014-11-06

    The electronic and structural properties of thin LaNiO? films grown by using molecular beam epitaxy are studied as a function of the net ionic charge of the surface terminating layer. We demonstrate that electronic transport in nickelate heterostructures can be manipulated through changes in the surface termination due to a strong coupling of the surface electrostatic properties to the structural properties of the NiO bonds that govern electronic conduction. We observe experimentally and from first-principles theory an asymmetric response of the structural properties of the films to the sign of the surface charge, which results from a strong interplay between electrostatic and mechanical boundary conditions governing the system. The structural response results in ionic buckling in the near-surface NiO? planes for films terminated with negatively charged NiO? and bulklike NiO? planes for films terminated with positively charged LaO planes. The ability to modify transport properties by the deposition of a single atomic layer can be used as a guiding principle for nanoscale device fabrication.

  6. Electron phonon coupling in Ni-based binary alloys with application to displacement cascade modeling

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

    Samolyuk, German D.; Stocks, George Malcolm; Stoller, Roger E.

    2016-04-01

    Energy transfer between lattice atoms and electrons is an important channel of energy dissipation during displacement cascade evolution in irradiated materials. On the assumption of small atomic displacements, the intensity of this transfer is controlled by the strength of electron–phonon (el–ph) coupling. The el–ph coupling in concentrated Ni-based alloys was calculated using electronic structure results obtained within the coherent potential approximation. It was found that Ni0.5Fe0.5, Ni0.5Co0.5 and Ni0.5Pd0.5 are ordered ferromagnetically, whereas Ni0.5Cr0.5 is nonmagnetic. Since the magnetism in these alloys has a Stoner-type origin, the magnetic ordering is accompanied by a decrease of electronic density of states atmore » the Fermi level, which in turn reduces the el–ph coupling. Thus, the el–ph coupling values for all alloys are approximately 50% smaller in the magnetic state than for the same alloy in a nonmagnetic state. As the temperature increases, the calculated coupling initially increases. After passing the Curie temperature, the coupling decreases. The rate of decrease is controlled by the shape of the density of states above the Fermi level. Introducing a two-temperature model based on these parameters in 10 keV molecular dynamics cascade simulation increases defect production by 10–20% in the alloys under consideration.« less

  7. Production of Ni-Cr-Ti-natural fibres composite and investigation of mechanical properties

    SciTech Connect (OSTI)

    Pesmen, G.; Erol, A.

    2015-03-30

    Intermetallic materials such as Ni{sub 2}Ti, Cr{sub 2}Ti are among advanced technology materials that have outstanding mechanical and physical properties for high temperature applications. Especially creep resistance, low density and high hardness properties stand out in such intermetallics. The microstructure, mechanical properties of (%50Ni-%48Cr-%2Ti)-%10Naturel Fibres and (%64Ni-%32Cr-%4Ti)-%10Naturel Fibres powders were investigated using specimens produced by tube furnace sintering at 1000-1200-1400C temperature. A composite consisting of ternary additions, a metallic phase, Ti,Cr and Ni have been prepared under Ar shroud and then tube furnace sintered. XRD, SEM (Scanning Electron Microscope), were investigated to characterize the properties of the specimens. Experimental results carried out for composition (%64Ni-%32Cr-%4Ti)-%10Naturel at 1400C suggest that the best properties as 112.09HV and 5,422g/cm{sup 3} density were obtained at 1400C.

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

    SciTech Connect (OSTI)

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

    2013-02-07

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

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

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

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

    2016-02-26

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

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

    SciTech Connect (OSTI)

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

    2014-01-02

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

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

    SciTech Connect (OSTI)

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

    2011-07-01

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

  12. Surface roughness and interface width scaling of magnetron sputter deposited Ni/Ti multilayers

    SciTech Connect (OSTI)

    Maidul Haque, S.; Biswas, A.; Tokas, R. B.; Bhattacharyya, D.; Sahoo, N. K.; Bhattacharya, Debarati

    2013-09-14

    Using an indigenously built r.f. magnetron sputtering system, several single layer Ti and Ni films have been deposited at varying deposition conditions. All the samples have been characterized by Grazing Incidence X-ray Reflectivity (GIXR) and Atomic Force Microscopy to estimate their thickness, density, and roughness and a power law dependence of the surface roughness on the film thickness has been established. Subsequently, at optimized deposition condition of Ti and Ni, four Ni/Ti multilayers of 11-layer, 21-layer, 31-layer, and 51-layer having different bilayer thickness have been deposited. The multilayer samples have been characterized by GIXR and neutron reflectivity measurements and the experimental data have been fitted assuming an appropriate sample structure. A power law correlation between the interface width and bilayer thickness has been observed for the multilayer samples, which was explained in the light of alternate roughening/smoothening of multilayers and assuming that at the interface the growth restarts every time.

  13. Electrical properties of the amorphous interfacial layer between Al electrodes and epitaxial NiO films

    SciTech Connect (OSTI)

    Hyuck Jang, Jae; Kwon, Ji-Hwan; Kim, Miyoung; Ran Lee, Seung; Char, Kookrin

    2012-04-23

    The amorphous interfacial layer (a-IL) between Al electrode and epitaxial NiO films were studied using electron energy-loss spectroscopy (EELS) and energy-dispersive x-ray spectroscopy. Two distinct properties were found in the a-IL, i.e., a lower metallic and an upper insulating layer. EELS results revealed that the metallic Ni atoms were responsible for the conducting nature of the lower oxide amorphous layer. The resistance behavior of Al/a-IL/epi-NiO was changed from a high to a low resistance state after forming process. The resistance change could be explained by the formation of a nanocrystalline metal alloy in the insulating amorphous layer.

  14. Importance of Size and Distribution of Ni Nanoparticles for the Hydrodeoxygenation of Microalgae Oil

    SciTech Connect (OSTI)

    Song, Wenji; Zhao, Chen; Lercher, Johannes A.

    2013-07-22

    Improved synthetic approaches for preparing small-sized Ni nanoparticles (d=3 nm) supported on HBEA zeolite have been explored and compared with the traditional impregnation method. The formation of surface nickel silicate/aluminate involved in the two precipitation processes are inferred to lead to the stronger interaction between the metal and the support. The lower Brnsted acid concentrations of these two Ni/HBEA catalysts compared with the parent zeolite caused by the partial exchange of Brnsted acid sites by Ni2+ cations do not influence the hydrodeoxygenation rates, but alter the product selectivity. Higher initial rates and higher stability have been achieved with these optimized catalysts for the hydrodeoxygenation of stearic acid and microalgae oil. Small metal particles facilitate high initial catalytic activity in the fresh sample and size uniformity ensures high catalyst stability.

  15. Effect of Spin-Crossover-Induced Pore Contraction on CO2–Host Interactions in the Porous Coordination Polymers [Fe(pyrazine)M(CN)4] (M = Ni, Pt)

    SciTech Connect (OSTI)

    Culp, Jeffrey T; Chen, De-Li; Liu, Jinchen; Chirdon, Danielle; Kauffman, Kristi; Goodman, Angela; Johnson, J Karl

    2013-02-01

    Variable-temperature in situ ATR-FTIR spectra are presented for the porous spin-crossover compounds [Fe(pyrazine)Ni(CN)4] and [Fe(pyrazine)Pt(CN)4] under CO2 pressures of up to 8 bar. Significant shifts in the ν3 and ν2 IR absorption bands of adsorbed CO2 are observed as the host materials undergo transition between low- and high-spin states. Computational models used to determine the packing arrangement of CO2 within the pore structures show a preferred orientation of one of the adsorbed CO2 molecules with close O=C=O···H contacts with the pyrazine pillar ligands. The interaction is a consequence of the commensurate distance of the inter-pyrazine separations and the length of the CO2 molecule, which allows the adsorbed CO2 to effectively bridge the pyrazine pillars in the structure. The models were used to assign the distinct shifts in the IR absorption bands of the adsorbed CO2 that arise from changes in the O=C=O···H contacts that strengthen and weaken in correlation with changes in the Fe–N bond lengths as the spin state of Fe changes. The results indicate that spin-crossover compounds can function as a unique type of flexible sorbent in which the pore contractions associated with spin transition can affect the strength of CO2–host interactions.

  16. Characterizations Of Precipitate Phases In a Ti-Ni-Pd Alloy

    SciTech Connect (OSTI)

    Yang, Fan; Kovarik, Libor; Phillips, Patrick J.; Noebe, Ronald D.; Mills, M. J.

    2012-06-01

    Precipitates in the Ti46Ni37.5Pd16.5 alloy were investigated by electron diffraction and high-resolution scanning transmission electron microscopy. The phase content and stability were determined at several different temperatures and times. Aging at 400 C for an hour results in a new phase, which is consumed by P-phase at longer aging time. At 450 C, the new phase appears first, and then coexists with P-phase. At 500 C, the entire alloy transformed into the new phase. At 550 C, Ti3(Ni,Pd)4 phase begins to form.

  17. Unoccupied electronic structure of Ni2MnGa ferromagnetic shape memory alloy

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

    Maniraj, M.; D׳Souza, S. W.; Rai, Abhishek; Schlagel, D. L.; Lograsso, T. A.; Iowa State Univ., Ames, IA; Chakrabarti, Aparna; Barman, S. R.

    2015-08-20

    Momentum resolved inverse photoemission spectroscopy measurements show that the dispersion of the unoccupied bands of Ni2MnGa is significant in the austenite phase. Furthermore, in the martensite phase, it is markedly reduced, which is possibly related to the structural transition to an incommensurate modulated state in the martensite phase. Finally, based on the first principle calculations of the electronic structure of Ni–Mn–Ga, we show that the modification of the spectral shape with surface composition is related to change in the hybridization between the Mn 3d and Ni 3d-like states that dominate the unoccupied conduction band.

  18. Preparation and characterization of nanodiamond cores coated with a thin Ni-Zn-P alloy film

    SciTech Connect (OSTI)

    Wang Rui; Ye Weichun; Ma Chuanli; Wang Chunming

    2008-02-15

    Nanodiamond cores coated with a thin Ni-Zn-P alloy film were prepared by an electroless deposition method under the conditions of tin chloride sensitization and palladium chloride activation. The prepared materials were analyzed by Fourier transform infrared (FTIR) spectrometry and X-ray diffraction (XRD). The nanostructure of the materials was then characterized by transmission electron microscopy (TEM). The alloy film composition was characterized by Energy Dispersive X-ray (EDX) analysis. The results indicated the approximate composition 49.84%Ni-37.29%Zn-12.88%P was obtained.

  19. Simulation of atomic diffusion in the Fcc NiAl system: A kinetic Monte Carlo study

    SciTech Connect (OSTI)

    Alfonso, Dominic R.; Tafen, De Nyago

    2015-04-28

    The atomic diffusion in fcc NiAl binary alloys was studied by kinetic Monte Carlo simulation. The environment dependent hopping barriers were computed using a pair interaction model whose parameters were fitted to relevant data derived from electronic structure calculations. Long time diffusivities were calculated and the effect of composition change on the tracer diffusion coefficients was analyzed. These results indicate that this variation has noticeable impact on the atomic diffusivities. A reduction in the mobility of both Ni and Al is demonstrated with increasing Al content. As a result, examination of the pair interaction between atoms was carried out for the purpose of understanding the predicted trends.

  20. Surface segregation effects in electrocatalysis: Kinetics ofoxygen reduction reaction on polycrystalline Pt3Ni alloy surfaces

    SciTech Connect (OSTI)

    Stamenkovic, V.; Schmidt, T.J.; Ross, P.N.; Markovic, N.M.

    2002-11-01

    Effects of surface segregation on the oxygen reduction reaction (ORR) have been studied on a polycrystalline Pt3Ni alloy in acid electrolyte using ultra high vacuum (UHV) surface sensitive probes and the rotating ring disk electrode (RRDE) method. Preparation, modification and characterization of alloy surfaces were done in ultra high vacuum (UHV). Depending on the preparation method, two different surface compositions of the Pt3Ni alloy are produced: a sputtered surface with 75 % Pt and an annealed surface (950 K ) with 100 % Pt. The latter surface is designated as the 'Pt-skin' structure, and is a consequence of surface segregation, i.e., replacement of Ni with Pt atoms in the first few atomic layers. Definitive surface compositions were established by low energy ion scattering spectroscopy (LEISS). The cyclic voltammetry of the 'Pt-skin' surface as well as the pseudocapacitance in the hydrogen adsorption/desorption potential region is similar to a polycrystalline Pt electrode. Activities of ORR on Pt3Ni alloy surfaces were compared to polycrystalline Pt in 0.1M HClO4 electrolyte for the observed temperature range of 293 < T < 333 K. The order of activities at 333 K was: 'Pt-skin' > Pt3Ni (75% Pt) > Pt with the maximum catalytic enhancement obtained for the 'Pt-skin' being 4 times that for pure Pt. Catalytic improvement of the ORR on Pt3Ni and 'Pt-skin' surfaces was assigned to the inhibition of Pt-OHad formation (on Pt sites) versus polycrystalline Pt. Production of H2O2 on both surfaces were similar compared to the pure Pt. Kinetic analyses of RRDE data confirmed that kinetic parameters for the ORR on the Pt3Ni and 'Pt-skin' surfaces are the same as on pure Pt: reaction order, m=1, two identical Tafel slopes, activation energy, {approx} 21-25 kJ/mol. Therefore the reaction mechanism on both Pt3Ni and 'Pt-skin' surfaces is the same as one proposed for pure Pt i.e. 4e{sup -} reduction pathway.