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Sample records for ra zr hf

  1. Ternary ceramic alloys of Zr-Ce-Hf oxides

    DOE Patents [OSTI]

    Becher, P.F.; Funkenbusch, E.F.

    1990-11-20

    A ternary ceramic alloy is described which produces toughening of zirconia and zirconia composites through the stress transformation from tetragonal phase to monoclinic phase. This alloy, having the general formula Ce[sub x]Hf[sub y]Zr[sub 1[minus]x[minus]y]O[sub 2], is produced through the addition of appropriate amounts of ceria and hafnia to the zirconia. Typically, improved toughness is achieved with about 5 to about 15 mol % ceria and up to about 40 mol % hafnia. The preparation of alloys of these compositions are given together with data as to the densities, tetragonal phase content, hardness and fracture toughness. The alloys are useful in preparing zirconia bodies as well as reinforcing ceramic composites. 1 fig.

  2. Ternary ceramic alloys of ZR-CE-HF oxides

    DOE Patents [OSTI]

    Becher, Paul F. (Oak Ridge, TN); Funkenbusch, Eric F. (White Bear Lake, MN)

    1990-01-01

    A ternary ceramic alloy which produces toughening of zirconia and zirconia composites through the stress transformation from tetragonal phase to monoclinic phase. This alloy, having the general formula Ce.sub.x Hf.sub.y Zn.sub.1-x-y O.sub.2, is produced through the addition of appropriate amounts of ceria and hafnia to the zirconia. Typically, improved toughness is achieved with about 5 to about 15 mol % ceria and up to about 40 mol % hafnia. The preparation of alloys of these compositions are given together with data as to the densities, tetragonal phase content, hardness and fracture toughness. The alloys are useful in preparing zirconia bodies as well as reinforcing ceramic composites.

  3. Metal-Organic Frameworks Based on Previously Unknown Zr8/Hf Cubic

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

    Clusters | Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Metal-Organic Frameworks Based on Previously Unknown Zr8/Hf Cubic Clusters Previous Next List Dawei Feng, Hai-Long Jiang, Ying-Pin Chen, Zhi-Yuan Gu, Zhangwen Wei, and Hong-Cai Zhou, Inorg. Chem. 52, 12661-12667 (2013) DOI: 10.1021/ic4018536 Abstract Image Abstract: The ongoing study of zirconium- and hafnium-porphyrinic metal-organic frameworks (MOFs) led to the discovery of isostructural MOFs based

  4. Continuous production of granular or powder Ti, Zr and Hf or their alloy products

    DOE Patents [OSTI]

    White, Jack C.; Oden, Laurance L.

    1993-01-01

    A continuous process for producing a granular metal selected from the group consisting of Ti, Zr or Hf under conditions that provide orderly growth of the metal free of halide inclusions comprising: a) dissolving a reducing metal selected from the group consisting of Na, Mg, Li or K in their respective halide salts to produce a reducing molten salt stream; b) preparing a second molten salt stream containing the halide salt of Ti, Zr or Hf; c) mixing and reacting the two molten streams of steps a) and b) in a continuous stirred tank reactor; d) wherein steps a) through c) are conducted at a temperature range of from about 800.degree. C. to about 1100.degree. C. so that a weight percent of equilibrium solubility of the reducing metal in its respective halide salt varies from about 1.6 weight percent at about 900.degree. C. to about 14.4 weight percent at about 1062.degree. C.; and wherein a range of concentration of the halide salt of Ti, Zn or Hf in molten halides of Na, Mg, Li or K is from about 1 to about 5 times the concentration of Na, Mg, Li or K; e) placing the reacted molten stream from step c) in a solid-liquid separator to recover an impure granular metal product by decantation, centrifugation, or filtration; and f) removing residual halide salt impurity by vacuum evaporator or inert gas sweep at temperatures from about 850.degree. C. to 1000.degree. C. or cooling the impure granular metal product to ambient temperature and water leaching off the residual metal halide salt.

  5. Hole Trapping at Surfaces of m?ZrO2 and m?HfO2 Nanocrystals

    SciTech Connect (OSTI)

    Wolf, Matthew J.; Mckenna, Keith P.; Shlyuger, Alexander L.

    2012-12-03

    We investigate hole trapping at the most prevalent facets of monoclinic zirconia (m-ZrO2) and hafnia (m-HfO2) nanocrystals using first-principles methods. The localization of holes at surface oxygen ions is more favorable than in the bulk crystal by up to ?1 eV. This is caused mainly by the reduction of the absolute value of the electrostatic potential at the surface ions with respect to the bulk and by the significant surface distortion caused by the hole localization. The mobility of holes at surfaces is much lower than that found in the bulk and is fairly isotropic. Unlike in cubic oxides, such as MgO and CaO, we do not find a significant driving force for preferential trapping of holes at steps on the m-ZrO2 surface. These fundamental results are relevant to mechanisms of water oxidation, photocatalysis, contact charging, and photodesorption.

  6. Electron-stimulated desorption from polished and vacuum fired 316LN stainless steel coated with Ti-Zr-Hf-V

    SciTech Connect (OSTI)

    Malyshev, Oleg B. Valizadeh, Reza; Hogan, Benjamin T.; Hannah, Adrian N.

    2014-11-01

    In this study, two identical 316LN stainless steel tubular samples, which had previously been polished and vacuum-fired and then used for the electron-stimulated desorption (ESD) experiments, were coated with Ti-Zr-Hf-V with different morphologies: columnar and dense. ESD measurement results after nonevaporable getter (NEG) activation to 150, 180, 250, and 350?C indicated that the values for the ESD yields are significantly (220 times) lower than the data from our previous study with similar coatings on nonvacuum-fired samples. Based on these results, the lowest pressure and best long-term performance in particle accelerators will be achieved with a vacuum-fired vacuum chamber coated with dense Ti-Zr-Hf-V coating activated at 180?C. This is likely due to the following facts: after NEG activation, the hydrogen concentration inside the NEG was lower than in the bulk stainless steel substrate; the NEG coating created a barrier for gas diffusion from the sample bulk to vacuum; the dense NEG coating performed better as a barrier than the columnar NEG coating.

  7. Hydrolysis of ZrCl4 and HfCl4: The Initial Steps in the High-Temperature Oxidation of Metal Chlorides to Produce ZrO2 and HfO2

    SciTech Connect (OSTI)

    Fang, Zongtang; Dixon, David A.

    2013-03-08

    The gas-phase hydrolysis of MCl4 (M = Zr, Hf) to produce the initial particles on the way to zirconia and hafnia nanoparticles has been studied with electronic structure theory. The potential energy surfaces, the themochemistry of the reaction species, and the reaction paths for the initial steps of MCl4 reacting with H2O have been calculated. The hydrolysis of MCl4 at higher temperatures begins with the formation of oxychlorohydroxides followed by the elimination of HCl instead of the direct production of MOCl2 and HCl or MO2 and HCl due to the substantial endothermicities associated with the formation of gas-phase MO2. The structural properties and heats of formation of the reactants and products are consistent with the available experimental results. A number of metal oxychlorides (oxychlorohydroxides) intermediate clusters have been studied to assess their role in the production of MO2 nanoparticles. The calculated clustering reaction energies of those intermediates are highly exothermic, so they could be readily formed in the hydrolysis process. These intermediate clusters can be formed exothermically from metal oxychlorohydroxides by the elimination of one HCl or H2O molecule. Our calculations show that the mechanisms leading to the formation of MO2 nanoparticles are complicated and are accompanied by the potential production of a wide range of intermediates, as found for the production of TiO2 particles from the high-temperature oxidation of TiCl4.

  8. Manipulation of electronic and magnetic properties of M{sub 2}C (M = Hf, Nb, Sc, Ta, Ti, V, Zr) monolayer by applying mechanical strains

    SciTech Connect (OSTI)

    Zhao, Shijun; Kang, Wei; Xue, Jianming

    2014-03-31

    Tuning the electronic and magnetic properties of a material through strain engineering is an effective strategy to enhance the performance of electronic and spintronic devices. In this paper, first-principles calculations based on density functional theory are carried out to investigate the electronic and magnetic properties of M{sub 2}C(M = Hf, Nb, Sc, Ta, Ti, V, Zr, known as MXenes) subjected to biaxial symmetric mechanical strains. At the strain-free state, all these MXenes exhibit no spontaneous magnetism except for Ti{sub 2}C and Zr{sub 2}C which show a magnetic moment of 1.92 and 1.25 μ{sub B}/unit, respectively. As the tensile strain increases, the magnetic moments of MXenes are greatly enhanced and a transition from nonmagnetism to ferromagnetism is observed for those nonmagnetic MXenes at zero strains. The most distinct transition is found in Hf{sub 2}C, in which the magnetic moment is elevated to 1.5 μ{sub B}/unit at a strain of 1.80%. We further show that the magnetic properties of Hf{sub 2}C are attributed to the band shift mainly composed of Hf(5d) states.

  9. Energy efficient microwave synthesis of mesoporous Ce0.5M0.5O2 (Ti, Zr, Hf) nanoparticles for low temperature CO oxidation in an ionic liquid – a comparative study

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

    Alammar, Tarek; Chow, Ying -Kit; Mudring, Anja -Verena

    2014-11-19

    Ce0.5M0.5O2 (M = Ti, Zr, Hf) nanoparticles have been successfully synthesized by microwave irradiation in the ionic liquid [C4mim][Tf2N] (1-butyl-3-methylimidazolium bis(trifluoromethanesulfonyl)amide). The morphology, crystallinity, and chemical composition of the obtained materials were characterized by scanning electron microscopy (SEM), X-ray diffraction (XRD), energy dispersive X-ray spectroscopy (EDX), Raman spectroscopy, and N2–adsorption measurements. XRD and Raman spectroscopy analyses confirmed the formation of solid solutions with cubic fluorite structure. The catalytic activities of the Ce0.5M0.5O2 (M = Ti, Zr, Hf) nanoparticles were investigated in the low-temperature oxidation of CO. Ce0.5Zr0.5O2 nanospheres exhibit the best performance (100% conversion at 350 °C), followed by Ce0.5Hf0.5O2more » (55% conversion at 360 °C) and Ce0.5Ti0.5O2 (11% conversion at 350 °C). Heating the as-prepared Ce0.5Zr0.5O2 to 600 °C for extended time leads to a decrease in surface area and, as expected decreased catalytic activity. Depending on the ionic liquid the obtained Ce0.5Zr0.5O2 exhibits different morphologies, varying from nano-spheres in [C4mim][Tf2N] and [P66614][Tf2N] (P66614 = trishexyltetradecylphosphonium) to sheet-like assemblies in [C3mimOH][Tf2N] (C3mimOH = 1-(3-hydroxypropyl)-3-methylimidazolium). As a result, the microwave synthesis superiority to other heating methods like sonochemical synthesis and conventional heating was proven by comparative experiments where the catalytic activity of Ce0.5Zr0.5O2 obtained by alternate methods such as conventional heating was found to be poorer than that of the microwave-synthesised material.« less

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

    SciTech Connect (OSTI)

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

    2012-01-01

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

  11. Elastic properties of perovskite ATiO{sub 3} (A?=?Be, Mg, Ca, Sr, and Ba) and PbBO{sub 3} (B?=?Ti, Zr, and Hf): First principles calculations

    SciTech Connect (OSTI)

    Pandech, Narasak; Limpijumnong, Sukit; Sarasamak, Kanoknan

    2015-05-07

    The mechanical properties of perovskite oxides depend on two metal oxide lattices that are intercalated. This provides an opportunity for separate tuning of hardness, Poisson's ratio (transverse expansion in response to the compression), and shear strength. The elastic constants of series of perovskite oxides were studied by first principles approach. Both A-site and B-site cations were systematically varied in order to see their effects on the elastic parameters. To study the effects of A-site cations, we studied the elastic properties of perovskite ATiO{sub 3} for A being Be, Mg, Ca, Sr, or Ba, one at a time. Similarly, for B-site cations, we studied the elastic properties of PbBO{sub 3} for B being Ti, Zr, or Hf, one at a time. The density functional first principles calculations with local density approximation (LDA) and generalized gradient approximation (GGA) were employed. It is found that the maximum C{sub 11} elastic constant is achieved when the atomic size of the cations at A-site and B-site are comparable. We also found that C{sub 12} elastic constant is sensitive to B-site cations while C{sub 44} elastic constant is more sensitive to A-site cations. Details and explanations for such dependencies are discussed.

  12. Exploration of R2XM2 (R=Sc, Y, Ti, Zr, Hf, rare earth; X=main group element; M=transition metal, Si, Ge): Structural Motifs, the novel Compound Gd2AlGe2 and Analysis of the U3Si2 and Zr3Al2 Structure Types

    SciTech Connect (OSTI)

    Sean William McWhorter

    2006-05-01

    In the process of exploring and understanding the influence of crystal structure on the system of compounds with the composition Gd{sub 5}(Si{sub x}Ge{sub 1-x}){sub 4} several new compounds were synthesized with different crystal structures, but similar structural features. In Gd{sub 5}(Si{sub x}Ge{sub 1-x}){sub 4}, the main feature of interest is the magnetocaloric effect (MCE), which allows the material to be useful in magnetic refrigeration applications. The MCE is based on the magnetic interactions of the Gd atoms in the crystal structure, which varies with x (the amount of Si in the compound). The crystal structure of Gd{sub 5}(Si{sub x}Ge{sub 1-x}){sub 4} can be thought of as being formed from two 3{sup 2}434 nets of Gd atoms, with additional Gd atoms in the cubic voids and Si/Ge atoms in the trigonal prismatic voids. Attempts were made to substitute nonmagnetic atoms for magnetic Gd using In, Mg and Al. Gd{sub 2}MgGe{sub 2} and Gd{sub 2}InGe{sub 2} both possess the same 3{sup 2}434 nets of Gd atoms as Gd{sub 5}(Si{sub x}Ge{sub 1-x}){sub 4}, but these nets are connected differently, forming the Mo{sub 2}FeB{sub 2} crystal structure. A search of the literature revealed that compounds with the composition R{sub 2}XM{sub 2} (R=Sc, Y, Ti, Zr, Hf, rare earth; X=main group element; M=transition metal, Si, Ge) crystallize in one of four crystal structures: the Mo{sub 2}FeB{sub 2}, Zr{sub 3}Al{sub 2}, Mn{sub 2}AlB{sub 2} and W{sub 2}CoB{sub 2} crystal structures. These crystal structures are described, and the relationships between them are highlighted. Gd{sub 2}AlGe{sub 2} forms an entirely new crystal structure, and the details of its synthesis and characterization are given. Electronic structure calculations are performed to understand the nature of bonding in this compound and how electrons can be accounted for. A series of electronic structure calculations were performed on models with the U{sub 3}Si{sub 2} and Zr{sub 3}Al{sub 2} structures, using Zr and A1 as the building blocks. The starting point for these models was the U{sub 3}Si{sub 2} structure, and models were created to simulate the transition from the idealized U{sub 3}Si{sub 2} structure to the distorted Zr{sub 3}Al{sub 2} structure. Analysis of the band structures of the models has shown that the transition from the U{sub 3}Si{sub 2} structure to the Zr{sub 3}Al{sub 2} structure lifts degeneracies along the {Lambda} {yields} Z direction, indicating a Peierls-type mechanism for the displacement occurring in the positions of the Zr atoms.

  13. Co.ra

    Office of Legacy Management (LM)

    Co.ra ARGONNEX4TIONALI$S'ATGRY 'i' : .: glbo South Caea!Avenue Argenne, IAuilm3- 6owJ . I.,? , m-m-769/ 5 April 1965 ,- Mr. K. 0. Wasson Coors Porcelain Cowany tie1 Elanen% Building Golden, Colorado Dear Mr. Wasson: '* -.c,. *.-':-- ~., _, ., Under seprate cover our RuXhasing Departmeat is requesting a quote for six fuel specimens. Except for composition, the specimens are to be identical to the pieces identified by requisition number 702881. The six specimens shall have the following

  14. Characterizing HfXZr1-XO2 by EXAFS: Relationship Between Bulk and Surface Composition, and Impact on Catalytic Selectivity for Alcohol Conversion

    SciTech Connect (OSTI)

    Jacobs, G.; Milling, M; Ji, Y; Patterson, P; Sparks, D; Davis, B

    2009-01-01

    A series of mixed Hf{sub X}Zr{sub 1-X}O{sub 2} oxide catalysts was prepared according to a recipe that yields the monoclinic structure. The samples were examined by EXAFS spectroscopy at the Zr K and Hf L{sub III} edges. A fitting model was used that simultaneously fits data from both edges, and makes use of an interdependent mixing parameter X mix to take into account substitution of the complementary atom in the nearest metal-metal shell. For XPS analysis, Scofield factors were applied to estimate the relative atomic surface concentrations of Zr and Hf. EXAFS results suggested that a solid bulk solution was formed over a wide range of X for Hf{sub X}Zr{sub 1-X}O{sub 2} binary oxides, and that the relative ratio was retained in the surface shell (i.e., including some subsurface layers by XPS) and the surface (e.g., by ISS). The increase in selectivity for the 1-alkene from dehydration of alcohols at high Zr content does not correlate smoothly with the tuned relative atomic concentration of Hf to Zr. The step change at high Zr content appears to be due to other indirect factors (e.g., surface defects, oxygen vacancies).

  15. 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 Properties at * ~ Lodi, New Jersey TO: Joe LaGrone, Manager Oak Ridge Operations Office ~* The data in the attached draft Radiological Survey Reports conducted by Bechtel National, Inc. (BNI) indicates that the soil concentration on these vicinity properties exceed the Department of Energy remedial action guidelines. Based on

  16. Valence electronenergy-lossspectroscopystudyofZrSiO4 and ZrO2...

    Office of Scientific and Technical Information (OSTI)

    electronenergy-lossspectroscopystudyofZrSiO4 and ZrO2 ZrSiO4 (zircon) and m-ZrO2 (zirconia) are fundamental and industrially important materials.This work reports the detailed...

  17. PROJECT PROFILE: Ra Power Management, Inc. (Incubator 10) | Department of

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

    Energy Ra Power Management, Inc. (Incubator 10) PROJECT PROFILE: Ra Power Management, Inc. (Incubator 10) Project Title: RPM Asset Management Platform (AMP) Funding Opportunity: SunShot Technology to Market (Incubator 10) SunShot Subprogram: Technology to Market Location: Oakland, CA Amount Awarded: $500,000 Awardee Cost Share: $125,000 Project Investigator: Aaron Iverson Ra Power Management, Inc. (RPM) is developing a cloud-based software platform that manages the financial and operational

  18. Ra Solar Systems Solutions SL | Open Energy Information

    Open Energy Info (EERE)

    Ra Solar Systems & Solutions SL Place: Madrid, Spain Zip: 28033 Sector: Solar Product: Spanish project developer and finance arranger for large-scale solar farms; also acts as...

  19. Numerical prediction of the thermodynamic properties of ternary Al-Ni-Hf alloys

    SciTech Connect (OSTI)

    Romanowska, Jolanta; Kotowski, S?awomir; Zagula-Yavorska, Maryana

    2014-10-06

    Thermodynamic properties of ternary Al-Hf-Ni system, such as {sup ex}G, ?{sub Al}, ?{sub Ni} and ?{sub Zr} at 1373K were predicted on the basis of thermodynamic properties of binary systems included in the investigated ternary system. The idea of predicting {sup ex}G values was regarded as the calculation of excess Gibbs energy values inside a certain area (a Gibbs triangle) unless all boundary conditions, that is values of {sup ex}G on all legs of the triangle are known. {sup ex}G and L{sub ijk} ternary interaction parameters in the Muggianu extension of the Redlich-Kister formalism are calculated numerically using Wolfram Mathematica 9 software.

  20. On the RA research reactor fuel management problems

    SciTech Connect (OSTI)

    Matausek, M.V.; Marinkovic, N.

    1997-12-01

    After 25 yr of operation, the Soviet-origin 6.5-MW heavy water RA research reactor was shut down in 1984. Basic facts about RA reactor operation, aging, reconstruction, and spent-fuel disposal have been presented and discussed in earlier papers. The following paragraphs present recent activities and results related to important fuel management problems.

  1. Corrosion of high Ni-Cr alloys and Type 304L stainless steel in HNO/sub 3/-HF

    SciTech Connect (OSTI)

    Ondrejcin, R.S.; McLaughlin, B.D.

    1980-04-01

    Nineteen alloys were evaluated as possible materials of construction for steam heating coils, the dissolver vessel, and the off-gas system of proposed facilities to process thorium and uranium fuels. Commercially available alloys were found that are satisfactory for all applications. With thorium fuel, which requires HNO/sub 3/-HF for dissolution, the best alloy for service at 130/sup 0/C when complexing agents for fluoride are used is Inconel 690; with no complexing agents at 130/sup 0/C, Inconel 671 is best. At 95/sup 0/C, six other alloys tested would be adequate: Haynes 25, Ferralium, Inconel 625, Type 304L stainless steel, Incoloy 825, and Haynes 20 (in order of decreasing preference); based on composition, six untested alloys would also be adequate. The ions most effective in reducing fluoride corrosion were the complexing agents Zr/sup 4 +/ and Th/sup 4 +/; Al/sup 3 +/ was less effective. With uranium fuel, modestly priced Type 304L stainless steel is adequate. Corrosion will be most severe in HNO/sub 3/-HF used occasionally for flushing and in solutions of HNO/sub 3/ and corrosion products (ferric and dichromate ions). HF corrosion can be minimized by complexing the fluoride ion and by passivation of the steel with strong nitric acid. Corrosion caused by corrosion products can be minimized by operating at lower temperatures.

  2. Attendees - December 15-16, 2015 P&RA Technical Exchange Meeting...

    Office of Environmental Management (EM)

    15-16, 2015 P&RA Technical Exchange Meeting Attendees - December 15-16, 2015 P&RA Technical Exchange Meeting Attendees to the December 15-16, 2015 P&RA Technical Exchange Meeting....

  3. Synthesis and characterization of lanthanum phosphate nanoparticles as carriers for 223Ra and 225Ra for targeted alpha therapy

    SciTech Connect (OSTI)

    Rojas Marin, Jessika V; Woodward, Jonathan; Chen, Nan; Rondinone, Adam Justin; Castano, Carlos H; Mirzadeh, Saed

    2015-01-01

    Introduction. Targeted alpha therapy (TAT) has the potential for killing specific tumor cells with minimum collateral damage to surrounding healthy tissue. Radionuclides such as 223Ra, 225Ra, and 225Ac are of special interest for radiotherapeutic applications as they emit multiple -particles during their decay. Utilizing appropriate carriers capable of retaining both the parent radioisotope as well as daughter products is important for the effective delivery of the radioisotope to the tumor site while mitigating global in vivo radiotoxicity. Methods. In this work, core and core+2 shells (NPs with 2 additional layers of cold LaPO4 deposited on the core surfaces) LaPO4 nanoparticles (NPs) were synthesized containing either 223Ra or 225Ra/225Ac and the retention of the parents and daughters within the NPs in vitro was investigated. Results. The NPs crystallized in rhabdophane phase with mean diameters of 3.4 and 6.3 nm for core and core+2 shells, respectively. The core LaPO 4 NPs retained up to 88% of 223Ra over 35 days. However, in the core+2 shell NPs, the retention of 223Ra and its daughter, 211Pb, was improved to > 99.9% over 27 days. Additionally, the retention of 225Ra/225Ac parents was > 99.98% and ~80% for the 221Fr and 213Bi daughters over 35 days for the core+2 shell NPs. Conclusions. These results suggest that LaPO4 NPs are potentially effective carriers of radium isotopes.

  4. P&RA CoP Webinars | Department of Energy

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

    P&RA CoP Webinar - November 12, 2015 Webinar - Implementing Optimization in the Superfund Program, Mr. Kirby Biggs and Mr. Daniel Powell (EPA OSRTI). November 10, 2015 Webinar - ...

  5. Rapid determination of 226Ra in emergency urine samples

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

    Maxwell, Sherrod L.; Culligan, Brian K.; Hutchison, Jay B.; Utsey, Robin C.; McAlister, Daniel R.

    2014-02-27

    A new method has been developed at the Savannah River National Laboratory (SRNL) that can be used for the rapid determination of 226Ra in emergency urine samples following a radiological incident. If a radiological dispersive device event or a nuclear accident occurs, there will be an urgent need for rapid analyses of radionuclides in urine samples to ensure the safety of the public. Large numbers of urine samples will have to be analyzed very quickly. This new SRNL method was applied to 100 mL urine aliquots, however this method can be applied to smaller or larger sample aliquots as needed.moreThe method was optimized for rapid turnaround times; urine samples may be prepared for counting in 226Ra from the urine sample matrix, followed by removal of calcium by cation exchange separation. A stacked elution method using DGA Resin was used to purify the 226Ra during the cation exchange elution step. This approach combines the cation resin elution step with the simultaneous purification of 226Ra with DGA Resin, saving time. 133Ba was used instead of 225Ra as tracer to allow immediate counting; however, 225Ra can still be used as an option. The rapid purification of 226Ra to remove interferences using DGA Resin was compared with a slightly longer Ln Resin approach. A final barium sulfate micro-precipitation step was used with isopropanol present to reduce solubility; producing alpha spectrometry sources with peaks typically 90 %), and removes interferences effectively. The sample preparation method can also be adapted to ICP-MS measurement of 226Ra, with rapid removal of isobaric interferences.less

  6. MicroPlanet Technology Corp formerly HF Capital Corp | Open Energy...

    Open Energy Info (EERE)

    Technology Corp formerly HF Capital Corp Jump to: navigation, search Name: MicroPlanet Technology Corp (formerly HF Capital Corp) Place: Seattle, Washington Zip: 98104 Sector:...

  7. RAPID DETERMINATION OF RA-226 IN ENVIRONMENTAL SAMPLES

    SciTech Connect (OSTI)

    Maxwell, S.

    2012-01-03

    A new rapid method for the determination of {sup 226}Ra in environmental samples has been developed at the Savannah River Site Environmental Lab (Aiken, SC, USA) that can be used for emergency response or routine sample analyses. The need for rapid analyses in the event of a Radiological Dispersive Device or Improvised Nuclear Device event is well-known. In addition, the recent accident at Fukushima Nuclear Power Plant in March, 2011 reinforces the need to have rapid analyses for radionuclides in environmental samples in the event of a nuclear accident. {sup 226}Ra (T1/2 = 1,620 years) is one of the most toxic of the long-lived alpha-emitters present in the environment due to its long life and its tendency to concentrate in bones, which increases the internal radiation dose of individuals. The new method to determine {sup 226}Ra in environmental samples utilizes a rapid sodium hydroxide fusion method for solid samples, calcium carbonate precipitation to preconcentrate Ra, and rapid column separation steps to remove interferences. The column separation process uses cation exchange resin to remove large amounts of calcium, Sr Resin to remove barium and Ln Resin as a final purification step to remove {sup 225}Ac and potential interferences. The purified {sup 226}Ra sample test sources are prepared using barium sulfate microprecipitation in the presence of isopropanol for counting by alpha spectrometry. The method showed good chemical recoveries and effective removal of interferences. The determination of {sup 226}Ra in environmental samples can be performed in less than 16 h for vegetation, concrete, brick, soil, and air filter samples with excellent quality for emergency or routine analyses. The sample preparation work takes less than 6 h. {sup 225}Ra (T1/2 = 14.9 day) tracer is used and the {sup 225}Ra progeny {sup 217}At is used to determine chemical yield via alpha spectrometry. The rapid fusion technique is a rugged sample digestion method that ensures that any refractory radium particles are effectively digested. The preconcentration and column separation steps can also be applied to aqueous samples with good results.

  8. Improved Growth of High-Temperature Superconductors with HF Pressure

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

    Control - Energy Innovation Portal Electricity Transmission Electricity Transmission Find More Like This Return to Search Improved Growth of High-Temperature Superconductors with HF Pressure Control Brookhaven National Laboratory Contact BNL About This Technology Publications: PDF Document Publication A new method of HF control for synthesizing YBCO using the BaF2 ex situ process (83 KB) Graphical representation of the removal of hydrogen fluoride gas by the absorber during growth of

  9. Upcoming P&RA CoP Activities | Department of Energy

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

    Upcoming P&RA CoP Activities Upcoming P&RA CoP Activities Upcoming Webinars Deep Borehole Disposal: IAEA Safety Test Case for Vaalputs, South Africa (Dr. Matt Kozak, INTERA, planned for late January 2016).

  10. Audit Report: OAS-RA-13-15 | Department of Energy

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

    Audit Report: OAS-RA-13-15 Audit Report: OAS-RA-13-15 March 21, 2013 The Department of Energy's Industrial Carbon Capture and Storage Program Funded by the American Recovery and...

  11. Audit Report: OAS-RA-10-12 | Department of Energy

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

    Audit Report: OAS-RA-L-12-03 Audit Report: The Department of Energy's American Recovery and Reinvestment Act - California State Energy Program Audit Report: OAS-RA-11-10...

  12. The Advanced Research Projects, OAS-RA-11-11

    Energy Savers [EERE]

    Audit Report The Advanced Research Projects Agency - Energy OAS-RA-11-11 August 2011 Department of Energy Washington, DC 20585 August 22, 2011 MEMORANDUM FOR THE DIRECTOR, ADVANCED RESEARCH PROJECTS AGENCY - ENERGY FROM: George W. Collard Assistant Inspector General for Audits Office of Inspector General SUBJECT: INFORMATION: Audit Report on "The Advanced Research Projects Agency - Energy" BACKGROUND The Advanced Research Projects Agency - Energy (ARPA-E), an agency within the

  13. Attendees - December 2014 P&RA Technical Exchange Meeting | Department of

    Office of Environmental Management (EM)

    Energy 2014 P&RA Technical Exchange Meeting Attendees - December 2014 P&RA Technical Exchange Meeting Attendees to the Performance & Risk Assessment Community of Practice (P&RA) Technical Exchange Meeting held in Las Vegas, Nevada on December 11 & 12, 2014 PDF icon Attendees More Documents & Publications Attendees - December 15-16, 2015 P&RA Technical Exchange Meeting Status Updates on the Performance and Risk Assessment Community of Practice (P&RA CoP)

  14. The Bayo Canyon/radioactive lanthanum (RaLa) program

    SciTech Connect (OSTI)

    Dummer, J.E.; Taschner, J.C.; Courtright, C.C.

    1996-04-01

    LANL conducted 254 radioactive lanthanum (RaLa) implosion experiments Sept. 1944-March 1962, in order to test implosion designs for nuclear weapons. High explosives surrounding common metals (surrogates for Pu) and a radioactive source containing up to several thousand curies of La, were involved in each experiment. The resulting cloud was deposited as fallout, often to distances of several miles. This report was prepared to summarize existing records as an aid in evaluating the off-site impact, if any, of this 18-year program. The report provides a historical setting for the program, which was conducted in Technical Area 10, Bayo Canyon about 3 miles east of Los Alamos. A description of the site is followed by a discussion of collateral experiments conducted in 1950 by US Air Force for developing an airborne detector for tracking atmospheric nuclear weapons tests. All known off-site data from the RaLa program are tabulated and discussed. Besides the radiolanthanum, other potential trace radioactive material that may have been present in the fallout is discussed and amounts estimated. Off-site safety considerations are discussed; a preliminary off-site dose assessment is made. Bibliographical data on 33 persons important to the program are presented as footnotes.

  15. Valence electronenergy-lossspectroscopystudyofZrSiO4 and ZrO2

    SciTech Connect (OSTI)

    Spence, John; Jiang, Nan

    2013-07-01

    ZrSiO4 (zircon) and m-ZrO2 (zirconia) are fundamental and industrially important materials.This work reports the detailed valence electron energy-loss spectroscopy (VEELS) studies of these compounds. The dielectric response functions, as well as single-electron interband transition spectra,are derived from VEELS data for both ZrSiO4 and m-ZrO2, in the rang e550 eV using the KramersKronig analysis method. Our interpretation of the interband transitions is given with the aid of ab initio calculations of density of states. The bandgap energies for both materials are also measured using VEELS.The surface and bulk plasmons are identified: the surface plasmon peaks locate at around 12 eV,and two bulk plasmon peaks are ~1516 eV and ~2527 eV,respectively.Although similarities in the VEELS exist between ZrSiO4 and m-ZrO2, two majo rdifferences are als onoticed and explained in terms of composition and structure differences.

  16. Performance & Risk Assessment Community of Practice (P&RA CoP) | Department

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

    of Energy Performance & Risk Assessment Community of Practice (P&RA CoP) Performance & Risk Assessment Community of Practice (P&RA CoP) P&RA CoP's Technical Exchange Meeting held on December 11-12, 2014 in Las Vegas, NV P&RA CoP's Technical Exchange Meeting held on December 11-12, 2014 in Las Vegas, NV P&RA CoP's Technical Exchange Meeting held on December 11-12, 2014 in Las Vegas, NV P&RA CoP's Technical Exchange Meeting held on December 11-12, 2014 in Las

  17. Examination Report: OAS-RA-13-03 | Department of Energy

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

    Examination Report: OAS-RA-13-03 » Examination Report: OAS-RA-13-03 Examination Report: OAS-RA-13-03 October 17, 2012 Community Action Partnership of Orange County - Weatherization Assistance Program Funds Provided by the American Recovery and Reinvestment Act of 2009 As part of the American Recovery and Reinvestment Act of 2009 (Recovery Act), the Weatherization Assistance Program (Weatherization Program) received $5 billion to reduce energy consumption for low-income households through energy

  18. Evolution of magnetic properties and microstructure of Hf2Co11B...

    Office of Scientific and Technical Information (OSTI)

    Journal Article: Evolution of magnetic properties and microstructure of Hf2Co11B alloys Citation Details In-Document Search Title: Evolution of magnetic properties and ...

  19. Interagency Performance and Risk Assessment Community of Practice (P&RA

    Energy Savers [EERE]

    CoP) Charter | Department of Energy Interagency Performance and Risk Assessment Community of Practice (P&RA CoP) Charter Interagency Performance and Risk Assessment Community of Practice (P&RA CoP) Charter Charter for the Interagency Performance and Risk Assessment Community of Practice (P&RA CoP) whose goal is to foster exchange of information regarding preparation of P&RAs across agencies and practitioners; enhance consistency in the preparation of P&RAs across the

  20. DRAFT Letter, PW 1/3/6 RD/RA Work Plan 1/19/16

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

    Letter, PW 1/3/6 RD/RA Work Plan 1/19/16 RAP Committee: Draft Letter: Remedial Design/Remedial Action (RD/RA) Work Plan for the 200-CW-5, 200- PW-1, PW-3, PW-6 Operable Units, DOE/RL-2015-23 (Draft B). Page 1 of 1 Draft HAB Letter: Remedial Design/Remedial Action (RD/RA) Work Plan for the 200- CW-5, 200-PW-1, PW-3, PW-6 Operable Units, DOE/RL-2015-23 (Draft B). Issue Managers: Engstrom, Hudson, Niles, Cimon, Mattson To: Stacy and Dennis Cc: Ecology and DOE HQ (Monica), Bertrand Recognizing that

  1. Special Report: OAS-RA-10-15 | Department of Energy

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

    RA-10-15 Special Report: OAS-RA-10-15 August 4, 2010 Review of the Department of Energy's Plan for Obligating Remaining Recovery Act Contract and Grant Funding Report OAS-RA-10-15, Review of the Department of Energy's Plan for Obligating Remaining Recovery Act Contract and Grant Funding, was issued to the Secretary and the Department's management on August 4, 2010. On August 5, 2010, the Department announced the award of the so-called "FutureGen 2.0" contract, using $1 billion of

  2. Microsoft Word - A10RA007 Report Cover 3-3-11

    Office of Environmental Management (EM)

    Recovery Act Funded Projects at the SLAC National Accelerator Laboratory OAS-RA-L-11-05 March 2011 DOE F 1325.8 (08-93) United States Government Department of Energy Memorandum DATE: March 8, 2011 Audit Report Number: OAS-RA-L-11-05 REPLY TO ATTN OF: IG-32 (A10RA007) SUBJECT: Audit Report on "Recovery Act Funded Projects at the SLAC National Accelerator Laboratory" TO: Manager, SLAC Site Office, SC-SSO INTRODUCTION AND OBJECTIVE In February 2009, the President signed the American

  3. Microsoft Word - A10RA010 Report Cover 12-6-10

    Office of Environmental Management (EM)

    Audits and Inspections Audit Report Audit of Environmental Cleanup Projects Funded by the Recovery Act at the Y-12 National Security Complex OAS-RA-L-11-02 December 2010 DOE F 1325.8 (08-93) United States Government Department of Energy Memorandum DATE: December 20, 2010 Audit Report Number: OAS-RA-L-11-02 REPLY TO ATTN OF: IG-32 (A10RA010) SUBJECT: Audit Report on "Environmental Cleanup Projects Funded by the Recovery Act at the Y-12 National Security Complex" TO: Manager, Y-12 Site

  4. Biosketches of Speakers- P&RA CoP December 2014 Technical Exchange Meeting

    Broader source: Energy.gov [DOE]

    Bio-sketches of Speakers from the Performance & Risk Assessment Community of Practice (P&RA) Technical Exchange Meeting held in Las Vegas, Nevada on December 11 & 12, 2014.

  5. Examination Report: OAS-RA-13-02 | Department of Energy

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

    Examination Report: OAS-RA-13-02 October 9, 2012 County of Los Angeles - Energy Efficiency ... The County of Los Angeles (County) received a 15.4 million formula grant award and a 30 ...

  6. Audit Letter Report: OAS-RA-L-10-09 | Department of Energy

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

    9 Audit Letter Report: OAS-RA-L-10-09 August 27, 2010 Office of Science's Energy Frontier Research Centers In 2008, the Department of Energy's (Department) Office of Science...

  7. Audit Report: OAS-RA-11-11 | Department of Energy

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

    1 Audit Report: OAS-RA-11-11 August 22, 2011 The Advanced Research Projects The Advanced Research Projects Agency - Energy (ARPA-E), an agency within the Department of Energy, was...

  8. Audit Report: OAS-RA-L-11-06 | Department of Energy

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

    6 Audit Report: OAS-RA-L-11-06 April 1, 2011 Department's Management of Cloud Computing Services Cloud computing enables convenient, on-demand access to shared computing resources...

  9. Audit Report: OAS-RA-13-31 | Department of Energy

    Energy Savers [EERE]

    Audit Report: OAS-RA-13-31 September 27, 2013 The Department of Energy's Hydrogen and Fuel Cells Program The Department of Energy spent approximately 1 billion over the last 5...

  10. Measurement and analysis of muonic x rays of 176,177,178,179,180Hf

    SciTech Connect (OSTI)

    Tanaka, Y.; Steffen, R.M.; Shera, E.B.; Reuter, W.; Hoehn, M.V.; Zumbro, J.D.

    1984-07-01

    Monopole and quadrupole charge distributions of /sup 176/Hf, /sup 177/Hf, /sup 178/Hf, /sup 179/Hf, and /sup 180/Hf were investigated by muonic atom K and L x-ray measurements. The model-independent Barrett charge radii R/sub k/ and the isotope shifts ..delta..R/sub k/ were measured, and values of and ..delta.. were deduced. A weak odd-even staggering of the nuclear charge radii was observed for the series /sup 176 -178/Hf and /sup 178 -180/Hf. A large negative isomer shift was observed in the 2/sup +/ state of the /sup 176/Hf nucleus, a fact that existing theories do not explain. The quadrupole moments of the first excited states of the hafnium nuclei were determined to be Q/sup 176/(2/sup +/) = -2.10(2) e b, Q/sup 177/((9/2)/sup -/) = 1.30(2) e b, Q/sup 178/(2/sup +/) = -2.02(2) e b, Q/sup 179/((11/2)/sup +/) = 1.88(3) e b, and Q/sup 180/(2/sup +/) = -2.00(2) e b. These quadrupole moments and the simultaneously determined B(E2) values for the respective nuclei are in satisfactory agreement with the predictions of the axially symmetric rotor model.

  11. Audit Report: OAS-RA-L-11-01 | Department of Energy

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

    Audit Report: OAS-RA-L-11-01 Audit Report: OAS-RA-L-11-01 November 10, 2010 Management of the Plutonium Finishing Plant Closure Project The Department of Energy's (Department) Richland Operations Office (Richland) awarded a contract, effective October 1, 2008, to CH2M HILL Plateau Remediation Company (CHPRC) to remediate the Hanford Site's Central Plateau. Part of the contract's scope includes completion of the Plutonium Finishing Plant (PFP) Closure Project - a major decontamination and

  12. Examination Report: OAS-RA-12-05 | Department of Energy

    Office of Environmental Management (EM)

    Examination Report: OAS-RA-12-05 Examination Report: OAS-RA-12-05 January 20, 2012 Saratoga County Economic Opportunity Council, Inc. -Weatherization Assistance Program Funds Provided by the American Recovery and Reinvestment Act of 2009 Under the American Recovery and Reinvestment Act of 2009 (Recovery Act), the Department of Energy's (Department) Weatherization Assistance Program (Weatherization Program) received $5 billion to increase the energy efficiency of dwellings owned or occupied by

  13. Examination Report: OAS-RA-13-01 | Department of Energy

    Office of Environmental Management (EM)

    Examination Report: OAS-RA-13-01 Examination Report: OAS-RA-13-01 October 9, 2012 California Energy Commission - Energy Efficiency and Conservation Block Grant Program Funds Provided by the American Recovery and Reinvestment Act of 2009 As part of the American Recovery and Reinvestment Act of 2009 (Recovery Act), the Energy Efficiency and Conservation Block Grant (EECBG) Program received $3.2 billion to develop, promote, implement and manage energy efficiency and conservation projects and

  14. Examination Report: OAS-RA-13-02 | Department of Energy

    Office of Environmental Management (EM)

    Examination Report: OAS-RA-13-02 Examination Report: OAS-RA-13-02 October 9, 2012 County of Los Angeles - Energy Efficiency and Conservation Block Grant Program Funds Provided by the American Recovery and Reinvestment Act of 2009 As part of the American Recovery and Reinvestment Act of 2009 (Recovery Act), the Energy Efficiency and Conservation Block Grant (EECBG) Program received $3.2 billion to develop, promote, implement and manage energy efficiency and conservation projects and programs

  15. EXAMINATION REPORT: OAS-RA-13-27 | Department of Energy

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

    EXAMINATION REPORT: OAS-RA-13-27 EXAMINATION REPORT: OAS-RA-13-27 July 15, 2013 Commonwealth of Puerto Rico Energy Affairs Administration - Energy Efficiency and Conservation Block Grant Program Funds Provided by the American Recovery and Reinvestment Act of 2009 As part of the American Recovery and Reinvestment Act of 2009 (Recovery Act), the Energy Efficiency and Conservation Block Grant (EECBG) Program received $3.2 billion to develop, promote, implement and manage energy efficiency and

  16. Examination Report: OAS-RA-13-30 | Department of Energy

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

    Examination Report: OAS-RA-13-30 Examination Report: OAS-RA-13-30 September 19, 2013 Alamo Area Council of Governments - Weatherization Assistance Program Funds Provided by the American Recovery and Reinvestment Act of 2009 As part of the American Recovery and Reinvestment Act of 2009 (Recovery Act), the Weatherization Assistance Program (Weatherization Program) received $5 billion to reduce energy consumption for low-income households through energy efficient upgrades. The State of Texas

  17. Measurements of structural and chemical order in Zr80Pt20 and Zr77Rh23 liquids

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

    Johnson, M. L.; Blodgett, M. E.; Lokshin, K. A.; Mauro, N. A.; Neuefeind, J.; Pueblo, C.; Quirinale, D. G.; Vogt, A. J.; Egami, T.; Goldman, A. I.; et al

    2016-02-03

    In this study, the short-range order (SRO) and medium-range order of electrostatically levitated Zr80Pt20 and Zr77Rh23 liquids are presented founded on a combination of high-energy x-ray diffraction and time-of-flight neutron diffraction studies. The atomic structures of the Zr80Pt20 liquids were determined as a function of temperature from constrained reverse Monte Carlo simulations using x-ray and elastic neutron scattering measurements and two partial pair-distribution functions obtained from molecular dynamics (MD) simulations.

  18. DFT STUDY REVISES INTERSTITIAL CONFIGURATIONS IN HCP Zr

    SciTech Connect (OSTI)

    Samolyuk, German D; Golubov, Stanislav I; Osetskiy, Yury N; Stoller, Roger E

    2012-06-01

    Analysis of experimental result on microstructure evolution in irradiated Zr and alloys has demonstrated that available knowledge on self-interstitial defects in Zr is in contradiction. We therefore have initiated an extensive theoretical and modeling program to clarify this issue. In this report we present first ab initio calculations results of single SIA configurations in Zr. We demonstrate importance of simulations cell size, applied exchange-correlation functional and simulated c/a ratio. The results obtained demonstrate clearly that the most stable configurations are in basal plane and provide some evidences for enhanced interstitial transport along basal planes. The results obtained will be used in generation a new interatomic potential for Zr to be used in large-scale atomistic modeling of mechanisms relevant for radiation-induced microstructure evolution.

  19. Interplay between gadolinium dopants and oxygen vacancies in HfO{sub 2}: A

    Office of Scientific and Technical Information (OSTI)

    density functional theory plus Hubbard U investigation (Journal Article) | SciTech Connect Interplay between gadolinium dopants and oxygen vacancies in HfO{sub 2}: A density functional theory plus Hubbard U investigation Citation Details In-Document Search Title: Interplay between gadolinium dopants and oxygen vacancies in HfO{sub 2}: A density functional theory plus Hubbard U investigation The influence of gadolinium (Gd) doping on the oxygen vacancy (V{sub O}) in monoclinic HfO{sub 2} have

  20. Evolution of magnetic properties and microstructure of Hf{sub 2}Co{sub 11}B

    Office of Scientific and Technical Information (OSTI)

    alloys (Journal Article) | SciTech Connect Journal Article: Evolution of magnetic properties and microstructure of Hf{sub 2}Co{sub 11}B alloys Citation Details In-Document Search Title: Evolution of magnetic properties and microstructure of Hf{sub 2}Co{sub 11}B alloys Amorphous Hf{sub 2}Co{sub 11}B alloys produced by melt-spinning have been crystallized by annealing at 500-800 °C, and the products have been investigated using magnetization measurements, x-ray diffraction, and scanning

  1. Ab initio molecular dynamics simulations of short-range order in Zr50Cu45Al5 and Cu50Zr45Al5 metallic glasses

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

    Huang, Yuxiang; Huang, Li; Wang, C. Z.; Kramer, M. J.; Ho, K. M.

    2016-02-01

    In this study, comparative analysis between Zr-rich Zr50Cu45Al5 and Cu-rich Cu50Zr45Al5 metallic glasses (MGs) is extensively performed to locate the key structural motifs accounting for their difference of glass forming ability. Here we adopt ab initio molecular dynamics simulations to investigate the local atomic structures of Zr50Cu45Al5 and Cu50Zr45Al5 MGs. A high content of icosahedral-related (full and distorted) orders was found in both samples, while in the Zr-rich MG full icosahedrons <0,0,12,0> is dominant, and in the Cu-rich one the distorted icosahedral orders, especially <0,2,8,2> and <0,2,8,1>, are prominent. And the <0,2,8,2> polyhedra in Cu50Zr45Al5 MG mainly originate from Al-centeredmore » clusters, while the <0,0,12,0> in Zr50Cu45Al5 derives from both Cu-centered clusters and Al-centered clusters. These difference may be ascribed to the atomic size difference and chemical property between Cu and Zr atoms. The relatively large size of Zr and large negative heat of mixing between Zr and Al atoms, enhancing the packing density and stability of metallic glass system, may be responsible for the higher glass forming ability of Zr50Cu45Al5.« less

  2. RAPID METHOD FOR DETERMINATION OF {sup 228}Ra IN WATER SAMPLES

    SciTech Connect (OSTI)

    Maxwell, S.

    2012-09-05

    A new rapid method for the determination of {sup 228}Ra in natural water samples has been developed at the SRNL/EBL (Savannah River National Lab/ Environmental Bioassay Laboratory) that can be used for emergency response or routine samples. While gamma spectrometry can be employed with sufficient detection limits to determine {sup 228}Ra in solid samples (via {sup 228}Ac) , radiochemical methods that employ gas flow proportional counting techniques typically provide lower MDA (Minimal Detectable Activity) levels for the determination of {sup 228}Ra in water samples. Most radiochemical methods for {sup 228}Ra collect and purify {sup 228}Ra and allow for {sup 228}Ac daughter ingrowth for ~36 hours. In this new SRNL/EBL approach, {sup 228}Ac is collected and purified from the water sample without waiting to eliminate this delay. The sample preparation requires only about 4 hours so that {sup 228}Ra assay results on water samples can be achieved in < 6 hours. The method uses a rapid calcium carbonate precipitation enhanced with a small amount of phosphate added to enhance chemical yields (typically >90%), followed by rapid cation exchange removal of calcium. Lead, bismuth, uranium, thorium and protactinium isotopes are also removed by the cation exchange separation. {sup 228}Ac is eluted from the cation resin directly onto a DGA Resin cartridge attached to the bottom of the cation column to purify {sup 228}Ac. DGA Resin also removes lead and bismuth isotopes, along with Sr isotopes and {sup 90}Y. La is used to determine {sup 228}Ac chemical yield via ICP-MS, but {sup 133}Ba can also be used instead if ICP-MS assay is not available. Unlike some older methods, no lead or strontium holdback carriers or continual readjustment of sample pH is required.

  3. Inspection Report: INS-RA-L-12-01 | Department of Energy

    Energy Savers [EERE]

    RA-L-12-01 Inspection Report: INS-RA-L-12-01 December 16, 2011 Waste Disposal and Recovery Act Efforts at the Oak Ridge Reservation The Department of Energy (Department) expends billions of dollars to clean up contaminated sites and dispose of hazardous waste. The Department's Oak Ridge Office (ORO) is responsible for processing and disposing of the Transuranic (TRU) waste on the Oak Ridge Reservation (ORR), including approximately 3,500 cubic meters of legacy remote-handled (RH) and

  4. Special Report: IG-RA-09-02 | Department of Energy

    Energy Savers [EERE]

    RA-09-02 Special Report: IG-RA-09-02 March 30, 2009 The Department of Energy's Acquisition Workforce and its Impact on Implementation of the American Recovery and Reinvestment Act of 2009 Signed by the President on February 17, 2009, the American Recovery and Reinvestment Act of 2009 (Recovery Act) seeks to strengthen the U.S. economy through the creation of new jobs, aiding State and local governments with budget shortfalls, and investing in the long-term health of the Nation's economic

  5. Special Report: OAS-RA-14-01 | Department of Energy

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

    1 Special Report: OAS-RA-14-01 October 31, 2013 Recent Events Related to Ecotality, Inc. In our audit of the funding to Ecotality, The Department of Energy Vehicle Technologies Program's $135 Million in Funding to Ecotality, Inc. (OAS-RA-13-29, July 2013), we found that the Department's management and administration of Ecotality's awards could have been improved. We initiated this review to determine whether the Department was aware of, and had disclosed to the Office of Inspector General,

  6. Special Review: OAS-RA-13-20 | Department of Energy

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

    Review: OAS-RA-13-20 Special Review: OAS-RA-13-20 May 13, 2013 Cost Incentives for the Department's Cleanup Contract in Idaho In Fiscal Year 2005, the Department of Energy (Department) awarded a Cost-Plus-Incentive-Fee contract to CH2M ♦ WG Idaho, LLC (CWI) to lead environmental cleanup of its Idaho National Laboratory site. The contract originally ran from May 1, 2005 through September 30, 2012, and has been extended for 3 years to September 30, 2015. The contract had a target cost of $2.7

  7. Pygmy dipole strength in {sup 90}Zr

    SciTech Connect (OSTI)

    Schwengner, R.; Rusev, G.; Benouaret, N.; Beyer, R.; Erhard, M.; Junghans, A. R.; Klug, J.; Kosev, K.; Nair, C.; Schilling, K. D.; Wagner, A.; Tsoneva, N.; Grosse, E.; Lenske, H.

    2008-12-15

    The dipole response of the N=50 nucleus {sup 90}Zr was studied in photon-scattering experiments at the electron linear accelerator ELBE with bremsstrahlung produced at kinetic electron energies of 7.9, 9.0, and 13.2 MeV. We identified 189 levels up to an excitation energy of 12.9 MeV. Statistical methods were applied to estimate intensities of inelastic transitions and to correct the intensities of the ground-state transitions for their branching ratios. In this way we derived the photoabsorption cross section up to the neutron-separation energy. This cross section matches well the photoabsorption cross section obtained from ({gamma}, n) data and thus provides information about the extension of the dipole-strength distribution toward energies below the neutron-separation energy. An enhancement of E1 strength has been found in the range of 6 to 11 MeV. Calculations within the framework of the quasiparticle-phonon model ascribe this strength to a vibration of the excessive neutrons against the N=Z neutron-proton core, giving rise to a pygmy dipole resonance.

  8. Evolution of magnetic properties and microstructure of Hf2Co11B alloys

    Office of Scientific and Technical Information (OSTI)

    (Journal Article) | SciTech Connect Journal Article: Evolution of magnetic properties and microstructure of Hf2Co11B alloys Citation Details In-Document Search Title: Evolution of magnetic properties and microstructure of Hf2Co11B alloys Authors: McGuire, Michael A. [1] ; Rios, Orlando [1] + Show Author Affiliations Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, USA Publication Date: 2015-02-07 OSTI Identifier: 1228520 Type: Publisher's Accepted Manuscript Journal Name: Journal

  9. An Exceptionally Stable, Porphyrinic Zr Metal-Organic Framework

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

    Exhibiting pH-Dependent Fluorescence | Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome An Exceptionally Stable, Porphyrinic Zr Metal-Organic Framework Exhibiting pH-Dependent Fluorescence Previous Next List Hai-Long Jiang, Dawei Feng, Kecheng Wang, Zhi-Yuan Gu, Zhangwen Wei, Ying-Pin Chen, and Hong-Cai Zhou, J. Am. Chem. Soc. 135, 13934-13938 (2013) DOI: 10.1021/ja406844r Abstract Image Abstract: A reaction between a ZrIV salt and a porphyrinic

  10. Thermally-driven H interaction with HfO{sub 2} films deposited on Ge(100) and Si(100)

    SciTech Connect (OSTI)

    Soares, G. V. Feij, T. O.; Baumvol, I. J. R.; Aguzzoli, C.; Krug, C.; Radtke, C.

    2014-01-27

    In the present work, we investigated the thermally-driven H incorporation in HfO{sub 2} films deposited on Si and Ge substrates. Two regimes for deuterium (D) uptake were identified, attributed to D bonded near the HfO{sub 2}/substrate interface region (at 300?C) and through the whole HfO{sub 2} layer (400600?C). Films deposited on Si presented higher D amounts for all investigated temperatures, as well as, a higher resistance for D desorption. Moreover, HfO{sub 2} films underwent structural changes during annealings, influencing D incorporation. The semiconductor substrate plays a key role in this process.

  11. Interdiffusion and Reaction between Zr and Al Alloys from 425 degrees to 625 degrees C

    SciTech Connect (OSTI)

    J. Dickson; L. Zhou; A. Ewh; M. Fu; D. D. Keiser, Jr.; Y. H. Sohn; A. Paz y Puente

    2014-06-01

    Zirconium has recently garnered attention for use as a diffusion barrier between UMo nuclear fuels and Al cladding alloys. Interdiffusion and reactions between Zr and Al, Al-2 wt.% Si, Al-5 wt.% Si or AA6061 were investigated using solid-to-solid diffusion couples annealed in the temperature range of 425 degrees to 625 degrees C. In the binary Al and Zr system, the Al3Zr and Al2Zr phases were identified, and the activation energy for the growth of the Al3Zr phase was determined to be 347 kJ/mol. Negligible diffusional interactions were observed for diffusion couples between Zr vs. Al-2 wt.% Si, Al-5 wt.% Si and AA6061 annealed at or below 475 degrees C. In diffusion couples with the binary AlSi alloys at 560 degrees C, a significant variation in the development of the phase constituents was observed including the thick t1 (Al5SiZr2) with Si content up to 12 at.%, and thin layers of (Si,Al)2Zr, (Al,Si)3Zr, Al3SiZr2 and Al2Zr phases. The use of AA6061 as a terminal alloy resulted in the development of both T1 (Al5SiZr2) and (Al,Si)3Zr phases with a very thin layer of (Al,Si)2Zr. At 560 degrees C, with increasing Si content in the AlSi alloy, an increase in the overall rate of diffusional interaction was observed; however, the diffusional interaction of Zr in contact with multicomponent AA6061 with 0.40.8 wt.% Si was most rapid.

  12. Lifetime measurements of yrast states in {sup 162}Yb and {sup 166}Hf

    SciTech Connect (OSTI)

    McCutchan, E.A.; Casten, R.F.; Ai, H.; Amro, H.; Heinz, A.; Meyer, D.A.; Plettner, C.; Qian, J.; Ressler, J.J.; Werner, V.; Williams, E.; Winkler, R.; Zamfir, N.V.; Babilon, M.; Brenner, D.S.; Guerdal, G.; Hughes, R.O.; Thomas, N.J.

    2006-03-15

    Lifetime measurements of yrast levels in {sup 162}Yb and {sup 166}Hf were performed using the recoil distance Doppler-shift method in coincidence mode. Excited states in {sup 162}Yb and {sup 166}Hf were populated via the reactions {sup 116}Cd({sup 50}Ti, 4n) and {sup 122}Sn({sup 48}Ti, 4n), respectively. The resulting B(E2) values are compared with the X(5) critical point model predictions and interacting boson approximation (IBA) model calculations. The X(5) model provides a reasonable description of the yrast B(E2) values in {sup 166}Hf, whereas the IBA fails to reproduce the transition strengths from the higher spin levels. In {sup 162}Yb, some transitions agree with the X(5) predictions while others are more consistent with the predictions of the IBA or a deformed symmetric rotor.

  13. Microsoft PowerPoint - P&RA CoP EPA optimization Biggs final 111215

    Office of Environmental Management (EM)

    Implementing Optimization in the Superfund Program __________________________________________________ For the Interagency Performance and Risk Assessment Community of Practice (P&RA CoP) November 12, 2015 Kirby Biggs National Optimization Program Coordinator Technology Integration and Information Branch Office of Superfund Remediation and Technology Integration Washington DC 20460 biggs.kirby@epa.gov . 703-823-3081 . www.cluin.org/optimization (Cleanup Horizon: 2004 - 2033) Source:

  14. Audit Report: OAS-RA-13-15 | Department of Energy

    Energy Savers [EERE]

    3-15 Audit Report: OAS-RA-13-15 March 21, 2013 The Department of Energy's Industrial Carbon Capture and Storage Program Funded by the American Recovery and Reinvestment Act The Department of Energy (Department) received nearly $1.5 billion through the American Recovery and Reinvestment Act of 2009 (Recovery Act) to invest in clean industrial technologies and sequestration projects through the Industrial Carbon Capture and Storage Program (Carbon Program). The National Energy Technology

  15. Examination Report: OAS-RA-11-19 | Department of Energy

    Energy Savers [EERE]

    9 Examination Report: OAS-RA-11-19 September 29, 2011 Cuyahoga County of Ohio Department of Development - Weatherization Assistance Program Funds Provided by the American Recovery and Reinvestment Act of 2009 Under the American Recovery and Reinvestment Act of 2009 (Recovery Act), the Department of Energy's (Department) Weatherization Assistance Program (Weatherization Program) received $5 billion to increase the energy efficiency of dwellings owned or occupied by low-income persons.

  16. Examination Report: OAS-RA-11-21 | Department of Energy

    Energy Savers [EERE]

    1 Examination Report: OAS-RA-11-21 September 30, 2011 Action for a Better Community, Inc. - Weatherization Assistance Program Funds Provided by the American Recovery and Reinvestment Act of 2009 Under the American Recovery and Reinvestment Act of 2009 (Recovery Act), the Department of Energy's (Department) Weatherization Assistance Program (Weatherization Program) received $5 billion to increase the energy efficiency of dwellings owned or occupied by low-income persons. Subsequently, the

  17. Examination Report: OAS-RA-13-03 | Department of Energy

    Energy Savers [EERE]

    3 Examination Report: OAS-RA-13-03 October 17, 2012 Community Action Partnership of Orange County - Weatherization Assistance Program Funds Provided by the American Recovery and Reinvestment Act of 2009 As part of the American Recovery and Reinvestment Act of 2009 (Recovery Act), the Weatherization Assistance Program (Weatherization Program) received $5 billion to reduce energy consumption for low-income households through energy efficient upgrades. The State of California received $186 million

  18. Examination Report: OAS-RA-13-04 | Department of Energy

    Energy Savers [EERE]

    4 Examination Report: OAS-RA-13-04 November 8, 2012 The Department of Energy's American Recovery and Reinvestment Act Energy Efficiency and Conservation Block Grant Program - Efficiency Maine Trust The American Recovery and Reinvestment Act of 2009 (Recovery Act) was enacted to promote economic prosperity through job creation and encourage investment in the Nation's energy future. As part of the Recovery Act, the Energy Efficiency and Conservation Block Grant (EECBG) Program received about $3.2

  19. Examination Report: OAS-RA-13-05 | Department of Energy

    Energy Savers [EERE]

    5 Examination Report: OAS-RA-13-05 January 17, 2013 Prince George's County Department of Housing and Community Development - Weatherization Assistance Program Funds Provided by the American Recovery and Reinvestment Act of 2009 As part of the American Recovery and Reinvestment Act of 2009 (Recovery Act) the Weatherization Assistance Program (Weatherization Program) received $5 billion to reduce energy consumption for low-income households through energy efficient upgrades. The State of Maryland

  20. Examination Report: OAS-RA-13-06 | Department of Energy

    Energy Savers [EERE]

    6 Examination Report: OAS-RA-13-06 January 17, 2013 Montgomery County Department of Housing and Community Affairs - Weatherization Assistance Program Funds Provided by the American Recovery and Reinvestment Act of 2009 As part of the American Recovery and Reinvestment Act of 2009 (Recovery Act) the Weatherization Assistance Program (Weatherization Program) received $5 billion to reduce energy consumption for low-income households through energy efficient upgrades. The State of Maryland (State)

  1. Examination Report: OAS-RA-13-09 | Department of Energy

    Energy Savers [EERE]

    9 Examination Report: OAS-RA-13-09 February 19, 2013 North Carolina State Energy Office - Energy Efficiency and Conservation Block Grant Program Funds Provided by the American Recovery and Reinvestment Act of 2009 As part of the American Recovery and Reinvestment Act of 2009 (Recovery Act), the Energy Efficiency and Conservation Block Grant (EECBG) Program received $3.2 billion to develop, promote, implement and manage energy efficiency and conservation projects and programs designed to reduce

  2. Examination Report: OAS-RA-13-11 | Department of Energy

    Energy Savers [EERE]

    1 Examination Report: OAS-RA-13-11 February 19, 2013 Fresno County Economic Opportunities Commission Weatherization Assistance Program Funds Provided by the American Recovery and Reinvestment Act of 2009 As part of the American Recovery and Reinvestment Act of 2009 (Recovery Act) the Weatherization Assistance Program (Weatherization Program) received $5 billion to reduce energy consumption for low-income households through energy efficient upgrades. The State of California received $186 million

  3. Examination Report: OAS-RA-13-12 | Department of Energy

    Energy Savers [EERE]

    2 Examination Report: OAS-RA-13-12 February 19, 2013 City of Los Angeles - Energy Efficiency and Conservation Block Grant Program Funds Provided by the American Recovery and Reinvestment Act of 2009 As part of the American Recovery and Reinvestment Act of 2009 (Recovery Act), the Energy Efficiency and Conservation Block Grant (EECBG) Program received $3.2 billion to develop, promote, implement and manage energy efficiency and conservation projects and programs designed to reduce fossil fuel

  4. Examination Report: OAS-RA-13-13 | Department of Energy

    Energy Savers [EERE]

    3 Examination Report: OAS-RA-13-13 February 21, 2013 Texas State Energy Conservation Office Energy Efficiency and Conservation Block Grant Program Funds Provided by the American Recovery and Reinvestment Act of 2009 As part of the American Recovery and Reinvestment Act of 2009, the Energy Efficiency and Conservation Block Grant (EECBG) Program received $3.2 billion to develop, promote, implement and manage energy efficiency and conservation projects and programs designed to reduce fossil fuel

  5. Examination Report: OAS-RA-13-14 | Department of Energy

    Energy Savers [EERE]

    4 Examination Report: OAS-RA-13-14 February 28, 2013 Connecticut Department of Energy and Environmental Protection Energy Efficiency and Conservation Block Grant Program Funds Provided by the American Recovery and Reinvestment Act of 2009 As part of the American Recovery and Reinvestment Act of 2009 (Recovery Act), the Energy Efficiency and Conservation Block Grant (EECBG) Program received $3.2 billion to develop, promote, implement and manage energy efficiency and conservation projects and

  6. Audit Report: OAS-RA-09-03 | Department of Energy

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

    09-03 Audit Report: OAS-RA-09-03 May 27, 2009 Department of Energy Efforts to Manage Information Technology Resources in an Energy-Efficient and Environmentally Responsible Manner Conservation as critical to the Nation's economic vitality; its goal of reducing dependence on foreign energy sources; and, related efforts to improve the environment. The Act highlights the significant use of various forms of energy in the Federal sector and promotes efforts to improve the energy efficiency of Federal

  7. Audit Report: OAS-RA-10-10 | Department of Energy

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

    10 Audit Report: OAS-RA-10-10 May 25, 2010 Waste Processing and Recovery Act Acceleration Efforts for Contact-Handled Transuranic Waste at the Hanford Site The Department of Energy's Office of Environmental Management's (EM), Richland Operations Office (Richland), is responsible for disposing of the Hanford Site's (Hanford) transuranic (TRU) waste, including nearly 12,000 cubic meters of radioactive contact-handled TRU wastes. Prior to disposing of this waste at the Department's Waste Isolation

  8. Audit Report: OAS-RA-11-04 | Department of Energy

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

    4 Audit Report: OAS-RA-11-04 February 1, 2011 The Department of Energy's Weatherization Assistance Program under the American Recovery and Reinvestment Act for the Capital Area Community Action Agency - Agreed-Upon Procedures The attached report presents the results of an agreed-upon procedures review of the Department of Energy's (Department) Weatherization Assistance Program for the Capital Area Community Action Agency, located in Tallahassee, Florida under the American Recovery and

  9. Audit Report: OAS-RA-11-07 | Department of Energy

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

    7 Audit Report: OAS-RA-11-07 June 6, 2011 The Department of Energy's Weatherization Assistance Program Funded under the American Recovery and Reinvestment Act for the State of Wisconsin The Department of Energy's Weatherization Assistance Program (Weatherization Program) received $5 billion under the American Recovery and Reinvestment Act of 2009 (Recovery Act) to improve the energy efficiency of homes, multi-family rental units and mobile homes owned or occupied by low-income persons.

  10. Audit Report: OAS-RA-11-09 | Department of Energy

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

    9 Audit Report: OAS-RA-11-09 June 13, 2011 The Department of Energy's Weatherization Assistance Program under the American Recovery and Reinvestment Act in the State of West Virginia The Department of Energy's Weatherization Assistance Program (Weatherization Program) received $5 billion under the American Recovery and Reinvestment Act of 2009 (Recovery Act) to improve the energy efficiency of residences owned or occupied by low-income persons. The Department subsequently awarded a three-year

  11. Audit Report: OAS-RA-11-13 | Department of Energy

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

    13 Audit Report: OAS-RA-11-13 August 23, 2011 The Department of Energy's Weatherization Assistance Program Funded under the American Recovery and Reinvestment Act in the State of Indiana Our review did not reveal material problems with the State of Indiana's management of the Weatherization Program and the three local agencies we visited - Hoosier Energy Rural Electric Cooperative, REAL Services, Inc., and Indiana Builders Association (IBA). We did, however, identify opportunities for the State

  12. Audit Report: OAS-RA-12-12 | Department of Energy

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

    2 Audit Report: OAS-RA-12-12 May 22, 2012 The Department of Energy's Clean Cities Alternative Fuel Vehicle Grant Program Funded under the American Recovery and Reinvestment Act Under the American Recovery and Reinvestment Act of 2009 (Recovery Act), the Department of Energy's (Department) Clean Cities Alternative Fuel Vehicle Grant Program (Clean Cities Program) received nearly $300 million, or 30 times its Fiscal Year 2009 funding of approximately $10 million. From this amount, the Department

  13. Audit Report: OAS-RA-12-13 | Department of Energy

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

    3 Audit Report: OAS-RA-12-13 June 25, 2012 The Department of Energy's Weatherization Assistance Program under the American Recovery and Reinvestment Act in the State of Ohio Under the American Recovery and Reinvestment Act of 2009, the Department of Energy's Weatherization Assistance Program (Weatherization Program) received $5 billion to increase the energy efficiency of dwellings owned or occupied by low-income persons. The Department awarded a 3-year, $267 million Recovery Act weatherization

  14. Audit Report: OAS-RA-L-12-02 | Department of Energy

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

    2 Audit Report: OAS-RA-L-12-02 January 12, 2012 Recovery Act Funded Projects at the Lawrence Berkeley National Laboratory In February 2009, the President signed the American Recovery and Reinvestment Act of 2009 (Recovery Act) into law. The goals of the Recovery Act were to retain and create jobs, increase economic efficiency, and invest in infrastructure that would provide long-term economic benefits. The Department of Energy's (Department) Office of Science received $1.6 billion through the

  15. Audit Report: OAS-RA-L-12-04 | Department of Energy

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

    4 Audit Report: OAS-RA-L-12-04 April 30, 2012 The Department of Energy's American Recovery and Reinvestment Act - Tennessee State Energy Program The State of Tennessee's Department of Economic and Community Development (Tennessee) received $62.5 million of American Recovery and Reinvestment Act of 2009 (Recovery Act) State Energy Program (SEP) grant funds. This was a significant increase from the $467,000 received prior to the Recovery Act. We found that Tennessee had developed processes and

  16. Special Report: OAS-RA-10-01 | Department of Energy

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

    1 Special Report: OAS-RA-10-01 October 21, 2009 The Department of Energy's Quality Assurance Process for Prime Recipients' Reporting for the American Recovery and Reinvestment Act of 2009 The American Recovery and Reinvestment Act of 2009 (Recovery Act) was established to jumpstart the U.S. economy, create or save millions of jobs, spur technological advances in health and science, and invest in the Nation's energy future. The Department of Energy (Department) will receive an unprecedented $37

  17. Special Report: OAS-RA-13-10 | Department of Energy

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

    13-10 Special Report: OAS-RA-13-10 February 8, 2013 The Department of Energy's Management of the Award of a $150 Million Recovery Act Grant to LG Chem Michigan Inc The Department of Energy's Vehicle Technologies Program was established to develop and deploy efficient and environmentally friendly highway transportation technologies to reduce the Nation's dependence on foreign oil and provide greater energy security. The Vehicle Technologies Program received $2.4 billion under the American

  18. Special Report: OAS-RA-L-12-01 | Department of Energy

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

    L-12-01 Special Report: OAS-RA-L-12-01 November 28, 2011 Special Inquiry on the Office of the Chief Financial Officer's Information Technology Expenditures The Office of Inspector General (OIG) received a complaint on April 13, 2011, through the OIG Hotline alleging the waste of appropriated Fiscal Year 2010 and American Recovery and Reinvestment Act of 2009 (Recovery Act) funds by senior officials within the Office of the Chief Financial Officer (OCFO). Information alleged included the

  19. The Department of Energy's Solid-State Lighting Program, OAS-RA-L-13-03

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

    Solid- State Lighting Program OAS-RA-L-13-03 February 2013 Department of Energy Washington, DC 20585 February 28, 2013 MEMORANDUM FOR THE DIRECTOR, NATIONAL ENERGY TECHNOLOGY LABORATORY FROM: Jack Rouch, Director Central Audits Division Office of Inspector General SUBJECT: INFORMATION: Audit Report on "The Department of Energy's Solid-State Lighting Program" BACKGROUND The Department of Energy's (Department) Office of Energy Efficiency and Renewable Energy established the Solid-State

  20. The Hydrogen Energy California Project, OAS-RA-13-22

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

    Hydrogen Energy California Project OAS-RA-13-22 June 2013 Department of Energy Washington, DC 20585 June 6, 2013 MEMORANDUM FOR THE ACTING DEPUTYASSISTANT SECRETARY FOR CLEAN COAL DIRECTOR FOR POLICY, OFFICE OF ACQUISITION AND PROJECT MANAGEMENT FROM: David Sedillo Director, Western Audits Division Office of Inspector General SUBJECT: INFORMATION: Audit Report on "The Hydrogen Energy California Project" BACKGROUND Under the American Recovery and Reinvestment Act of 2009, the Department

  1. Management Alert: OAS-RA-12-01 | Department of Energy

    Energy Savers [EERE]

    2-01 Management Alert: OAS-RA-12-01 November 4, 2011 Western Area Power Administration's Control and Administration of American Recovery and Reinvestment Act Borrowing Authority Under the Recovery Act, the Western Area Power Administration (Western) was granted $3.25 billion in borrowing authority to help build transmission infrastructure. Western first used its borrowing authority to execute a financing agreement with Montana Alberta Tie Ltd. and MATL LLP (jointly referred to as MATL) in

  2. The Department of Energy's Transportation Electrification Program, 0AS-RA-12-11

    Energy Savers [EERE]

    Transportation Electrification Program OAS-RA-12-11 May 2012 Department of Energy Washington, DC 20585 May 10, 2012 MEMORANDUM FOR THE DEPUTY ASSISTANT SECRETARY FOR ENERGY EFFICIENCY FROM: Joanne Hill, Director Central Audits Division Office of Inspector General SUBJECT: INFORMATION: Special Report on "The Department of Energy's Transportation Electrification Program" INTRODUCTION The Department of Energy established the Transportation Electrification Program (Program) to demonstrate

  3. The Department's Management of the Smart Grid Investment Grant Program, OAS-RA-12-04

    Energy Savers [EERE]

    Management of the Smart Grid Investment Grant Program OAS-RA-12-04 January 2012 Department of Energy Washington, DC 20585 January 20, 2012 MEMORANDUM FOR THE SECRETARY FROM: Gregory H. Friedman Inspector General SUBJECT: INFORMATION: Audit Report on "The Department's Management of the Smart Grid Investment Grant Program" INTRODUCTION AND OBJECTIVE The Energy Independence and Security Act of 2007 charged the Department of Energy with establishing the Smart Grid Investment Grant (SGIG)

  4. Audit Letter Report: OAS-RA-L-10-06 | Department of Energy

    Energy Savers [EERE]

    6 Audit Letter Report: OAS-RA-L-10-06 September 15, 2010 The Department of Energy's American Recovery and Reinvestment Act - Georgia State Energy Program The Department of Energy's (Department) Office of Energy Efficiency and Renewable Energy (EERE) provides grants to states, territories and the District of Columbia (states) to support their energy priorities through the State Energy Program (SEP). Federal funding is based on a grant formula that considers the population and energy consumption

  5. Audit Letter Report: OAS-RA-L-11-05 | Department of Energy

    Energy Savers [EERE]

    1-05 Audit Letter Report: OAS-RA-L-11-05 March 8, 2011 Recovery Act Funded Projects at the SLAC National Accelerator Laboratory In February 2009, the President signed the American Recovery and Reinvestment Act of 2009 (Recovery Act) into law. The Department of Energy's (Department) Office of Science received approximately $1.6 billion through the Recovery Act which it used to invest in science projects including approximately $97 million for major construction, laboratory infrastructure, and

  6. Audit Report: OAS-RA-10-02 | Department of Energy

    Energy Savers [EERE]

    2 Audit Report: OAS-RA-10-02 December 3, 2009 Management Alert on the Department's Monitoring of the Weatherization Assistance Program in the State of Illinois Under the American Recovery and Reinvestment Act of 2009 (Recovery Act), the Department of Energy's Weatherization Assistance Program received $5 billion to improve the energy efficiency of homes owned or occupied by low income persons, reduce their total residential expenditures, and improve their health and safety. Since the Recovery

  7. Audit Report: OAS-RA-10-08 | Department of Energy

    Energy Savers [EERE]

    8 Audit Report: OAS-RA-10-08 April 27, 2010 The Department of Energy's Program to Assist Federal Buyers in the Purchasing of Energy Efficient Products The American Recovery and Reinvestment Act of 2009 (Recovery Act) established a series of energy-related goals, one of which was to make Federal facilities more energy efficient. The Department of Energy (Department) plays an integral part in this process. The Department's Federal Energy Management Program (FEMP), established in 1973, helps

  8. Audit Report: OAS-RA-10-17 | Department of Energy

    Energy Savers [EERE]

    7 Audit Report: OAS-RA-10-17 September 21, 2010 Status Report: The Department of Energy's State Energy Program Formula Grants Awarded under the American Recovery and Reinvestment Act Under the American Recovery and Reinvestment Act of 2009 (Recovery Act), the Department of Energy's (Department) Office of Energy Efficiency and Renewable Energy (EERE) received $3.1 billion to be distributed through the State Energy Program (SEP) to stimulate the economy by creating and preserving jobs while

  9. Audit Report: OAS-RA-10-18 | Department of Energy

    Energy Savers [EERE]

    8 Audit Report: OAS-RA-10-18 September 29, 2010 Management Controls over the Department of Energy's American Recovery and Reinvestment Act - Michigan State Energy Program The Department of Energy's (Department) Office of Energy Efficiency and Renewable Energy (EERE) provides grants to states, territories and the District of Columbia (states) to support their energy priorities through the State Energy Program (SEP). Traditionally, SEP received $40 to $50 million in annual appropriations. The

  10. Audit Report: OAS-RA-11-01 | Department of Energy

    Energy Savers [EERE]

    1 Audit Report: OAS-RA-11-01 October 14, 2010 The State of Illinois Weatherization Assistance Program The Department of Energy's Weatherization Assistance Program received $5 billion under the American Recovery and Reinvestment Act of 2009 (Recovery Act) to improve the energy efficiency of single-family, multi-family, and mobile homes owned or occupied by individuals or families with low incomes. Of the $5 billion, the Department awarded the State of Illinois a 3-year Weatherization Assistance

  11. Audit Report: OAS-RA-11-02 | Department of Energy

    Energy Savers [EERE]

    2 Audit Report: OAS-RA-11-02 November 2, 2010 Selected Aspects of the Commonwealth of Pennsylvania's Efforts to Implement the American Recovery and Reinvestment Act Weatherization Assistance Program The Department of Energy's (Department) Weatherization Assistance Program (Weatherization Program) received $5 billion under the American Recovery and Reinvestment Act of 2009 (Recovery Act) to improve the energy efficiency of residences owned or occupied by low income persons. Subsequently, the

  12. Audit Report: OAS-RA-11-03 | Department of Energy

    Energy Savers [EERE]

    3 Audit Report: OAS-RA-11-03 November 30, 2010 The Department of Energy's Weatherization Assistance Program under the American Recovery and Reinvestment Act for the City of Phoenix - Agreed-Upon Procedures The attached report presents the results of an agreed-upon procedures review of the Department of Energy's (Department) Weatherization Assistance Program in the City of Phoenix, Arizona, under the American Recovery and Reinvestment Act of 2009 (Recovery Act). The Office of Inspector General

  13. Audit Report: OAS-RA-11-05 | Department of Energy

    Energy Savers [EERE]

    5 Audit Report: OAS-RA-11-05 March 22, 2011 The Department of Energy's Geothermal Technologies Programunder the American Recovery and Reinvestment Act Under the American Recovery and Reinvestment Act of 2009 (Recovery Act), the Department of Energy's Geothermal Technologies Program received $400 million to promote the exploration and development of new geothermal fields and innovative research into advanced geothermal technologies. This funding represents an almost ten-fold increase over the $44

  14. Audit Report: OAS-RA-11-10 | Department of Energy

    Energy Savers [EERE]

    0 Audit Report: OAS-RA-11-10 July 28, 2011 The Department of Energy's American Recovery and Reinvestment Act - California State Energy Program The Department of Energy's Office of Energy Efficiency and Renewable Energy (EERE) provides grants to states, territories and the District of Columbia (states) through the State Energy Program (SEP). Federal funding, based on a grant formula that considers the population and energy consumption in each state, amounted to $25 million for Fiscal Year (FY)

  15. Audit Report: OAS-RA-11-15 | Department of Energy

    Energy Savers [EERE]

    5 Audit Report: OAS-RA-11-15 August 25, 2011 Los Alamos National Laboratory Environmental Management Activities Funded by the Recovery Act In 2009, the Department's National Nuclear Security Administration (NNSA) received approximately $212 million in American Recovery and Reinvestment Act of 2009 (Recovery Act) funds from the Office of Environmental Management for legacy environmental remediation activities at Los Alamos National Laboratory (Los Alamos). The activities included: The Delta Prime

  16. Audit Report: OAS-RA-11-17 | Department of Energy

    Energy Savers [EERE]

    7 Audit Report: OAS-RA-11-17 September 19, 2011 The Department of Energy's Weatherization Assistance Program under the American Recovery and Reinvestment Act in the State of Tennessee The Department of Energy's (Department) Weatherization Assistance Program (Weatherization Program) received $5 billion under the American Recovery and Reinvestment Act of 2009 to improve the energy efficiency of the homes of low-income individuals, of which the State of Tennessee received a three-year

  17. Audit Report: OAS-RA-12-02 | Department of Energy

    Energy Savers [EERE]

    2 Audit Report: OAS-RA-12-02 November 9, 2011 The State of Nevada's Implementation of the Energy Efficiency and Conservation Block Grant Program Under the American Recovery and Reinvestment Act of 2009 (Recovery Act), the Department of Energy (Department) received $3.2 billion to fund, for the first time, the Energy Efficiency and Conservation Block Grant Program (EECBG Program). The EECBG Program provides grants to U.S. local governments, states, territories and Indian tribes to fund projects

  18. Audit Report: OAS-RA-12-04 | Department of Energy

    Energy Savers [EERE]

    4 Audit Report: OAS-RA-12-04 January 20, 2012 The Department's Management of the Smart Grid Investment Grant Program The Energy Independence and Security Act of 2007 charged the Department of Energy (Department) with establishing the Smart Grid Investment Grant (SGIG) program. More recently, the American Recovery and Reinvestment Act of 2009 (Recovery Act) provided the Department's Office of Electricity Delivery and Energy Reliability with $3.5 billion to fund the SGIG program and to assist in

  19. Audit Report: OAS-RA-12-07 | Department of Energy

    Energy Savers [EERE]

    7 Audit Report: OAS-RA-12-07 April 6, 2012 The Department of Energy's Weatherization Assistance Program Funded under the American Recovery and Reinvestment Act for the State of New York Under the American Recovery and Reinvestment Act of 2009 (Recovery Act), the Department of Energy's (Department) Weatherization Assistance Program (Weatherization Program) received $5 billion to increase the energy efficiency of dwellings owned or occupied by low-income persons. Subsequently, the Department

  20. Audit Report: OAS-RA-12-08 | Department of Energy

    Energy Savers [EERE]

    8 Audit Report: OAS-RA-12-08 April 19, 2012 The Department of Energy's American Recovery and Reinvestment Act - New York State Energy Program The New York State Energy Research and Development Authority (NYSERDA) had, for the most part, implemented processes and controls to manage its State Energy Program (SEP) American Recovery and Reinvestment Act of 2009 (Recovery Act) funding and was generally in compliance with the selected Recovery Act requirements we examined during our review. However,

  1. Audit Report: OAS-RA-12-09 | Department of Energy

    Energy Savers [EERE]

    9 Audit Report: OAS-RA-12-09 April 23, 2012 The Department of Energy's Energy Efficiency and Conservation Block Grant Program Funded under the American Recovery and Reinvestment Act for the City of Philadelphia Under the American Recovery and Reinvestment Act of 2009 (Recovery Act), the Department of Energy's (Department) Energy Efficiency and Conservation Block Grant Program (Program) received $3.2 billion in funding to help U.S. state and local entities develop, implement and manage energy

  2. Audit Report: OAS-RA-12-11 | Department of Energy

    Energy Savers [EERE]

    11 Audit Report: OAS-RA-12-11 May 10, 2012 The Department of Energy's Transportation Electrification Program The Department of Energy (Department) established the Transportation Electrification Program (Program) to demonstrate and evaluate the deployment of plug-in hybrid vehicles and their associated infrastructure needs. Funded by the American Recovery and Reinvestment Act of 2009, the Program provided about $400 million to 18 grant recipients-12 non-profit entities and 6 for-profit entities.

  3. Audit Report: OAS-RA-13-07 | Department of Energy

    Energy Savers [EERE]

    7 Audit Report: OAS-RA-13-07 January 17, 2013 The Department of Energy's Weatherization Assistance Program Funded under the American Recovery and Reinvestment Act for the State of Maryland The Department of Energy's (Department) Weatherization Assistance Program received $5 billion under the American Recovery and Reinvestment Act of 2009 (Recovery Act) to improve the energy efficiency of residences owned or occupied by low-income persons. The Department subsequently awarded a 3-year Recovery Act

  4. Audit Report: OAS-RA-13-08 | Department of Energy

    Energy Savers [EERE]

    8 Audit Report: OAS-RA-13-08 January 10, 2013 The Department of Energy's $700 Million Smart Grid Demonstration Program Funded through the American Recovery and Reinvestment Act of 2009 The Department of Energy's (Department) Office of Electricity Delivery and Energy Reliability received about $4.5 billion under the American Recovery and Reinvestment Act of 2009 (Recovery Act) to enhance the reliability and resilience of the Nation's power grid, or nearly 33 times the amount appropriated in

  5. Audit Report: OAS-RA-L-11-01 | Department of Energy

    Energy Savers [EERE]

    1 Audit Report: OAS-RA-L-11-01 November 10, 2010 Management of the Plutonium Finishing Plant Closure Project The Department of Energy's (Department) Richland Operations Office (Richland) awarded a contract, effective October 1, 2008, to CH2M HILL Plateau Remediation Company (CHPRC) to remediate the Hanford Site's Central Plateau. Part of the contract's scope includes completion of the Plutonium Finishing Plant (PFP) Closure Project - a major decontamination and demolition project of an

  6. Audit Report: OAS-RA-L-11-02 | Department of Energy

    Energy Savers [EERE]

    2 Audit Report: OAS-RA-L-11-02 December 20, 2010 Audit of Environmental Cleanup Projects Funded by the Recovery Act at the Y-12 National Security Complex In February 2009, the President signed the American Recovery and Reinvestment Act of 2009 (Recovery Act) into law. Part of the Recovery Act's purpose, relevant to the Department of Energy (Department), was to invest in environmental protection. Accordingly, the Department's Oak Ridge Office of Environmental Management (EM) received $216 million

  7. Audit Report: OAS-RA-L-11-03 | Department of Energy

    Energy Savers [EERE]

    3 Audit Report: OAS-RA-L-11-03 February 9, 2011 Management of the Tank Farm Recovery Act Infrastructure Upgrades Project As part of the American Recovery and Reinvestment Act of 2009 (Recovery Act) the Department of Energy (Department) awarded Washington River Protection Solutions (WRPS) approximately $324 million to accelerate completion of infrastructure upgrades for the Hanford Site's tank farms during the Fiscal Year (FY) 2009-2011 timeframe. These funds were applied by the Department's

  8. Audit Report: OAS-RA-L-11-08 | Department of Energy

    Energy Savers [EERE]

    8 Audit Report: OAS-RA-L-11-08 May 19, 2011 Use of American Recovery and Reinvestment Act of 2009 Funds on Solid Waste Project Activities at the Department of Energy's Hanford Site The Department of Energy's (Department), Richland Operations Office (Richland), awarded a contract, effective October 1, 2008, to CH2M HILL Plateau Remediation Company (CHPRC) to remediate Hanford's Central Plateau. Part of the contract's scope included solid waste cleanup activities associated with retrieval,

  9. Audit Report: OAS-RA-L-11-09 | Department of Energy

    Energy Savers [EERE]

    9 Audit Report: OAS-RA-L-11-09 July 7, 2011 Performance of Recovery Act Funds at the Waste Isolation Pilot Plant The Department of Energy's (Department) Carlsbad Field Office (Carlsbad) manages the transuranic (TRU) waste activities of the Waste Isolation Pilot Plant (WIPP) and the National TRU Program. The WIPP, located outside Carlsbad, New Mexico, is the final repository for contact-handled and remote-handled TRU waste, and manages the final disposal of waste received from the Department's

  10. Audit Report: OAS-RA-L-11-11 | Department of Energy

    Energy Savers [EERE]

    1 Audit Report: OAS-RA-L-11-11 September 23, 2011 The Department of Energy's Energy Efficiency and Conservation Block Grant Program Funded under the American Recovery and Reinvestment Act for the State of Pennsylvania Under the American Recovery and Reinvestment Act of 2009 (Recovery Act), the Department of Energy's (Department) Energy Efficiency and Conservation Block Grant Program (Program) received $3.2 billion in funding to help U.S. cities, counties and states to develop, promote, implement

  11. Audit Report: OAS-RA-L-11-12 | Department of Energy

    Energy Savers [EERE]

    2 Audit Report: OAS-RA-L-11-12 September 29, 2011 Implementation of the Recovery Act at the Savannah River Site Overall, we found that Savannah River Site (SRS) generally complied with American Recovery and Reinvestment Act of 2009 (Recovery Act) requirements such as reporting, flow down of requirements to subcontracts, and segregation of funds. According to SRS officials, Recovery Act projects are on schedule, within estimated costs, and goals and objectives are being met. However, we

  12. Audit Report: OAS-RA-L-12-05 | Department of Energy

    Energy Savers [EERE]

    2-05 Audit Report: OAS-RA-L-12-05 July 10, 2012 Follow-up on the Department of Energy's Implementation of the Advanced Batteries and Hybrid Components Program Funded under the American Recovery and Reinvestment Act Under the American Recovery and Reinvestment Act of 2009, the Department of Energy's (Department) Advanced Batteries and Hybrid Components Program (Advanced Batteries Program) received almost $2 billion to support the construction of U.S. based battery and electric drive component

  13. Audit Report: OAS-RA-L-13-01 | Department of Energy

    Energy Savers [EERE]

    1 Audit Report: OAS-RA-L-13-01 November 1, 2012 Implementation of the Department of Energy's Concentrating Solar Power Program The Department of Energy's (Department) Office of Energy Efficiency and Renewable Energy's Concentrating Solar Power Program is intended to broaden the use of concentrating solar power by making the technology cost competitive in the conventional power market. The Department plans to achieve this goal through cost-shared contracts with private industry, as well as

  14. Audit Report: OAS-RA-L-13-02 | Department of Energy

    Energy Savers [EERE]

    2 Audit Report: OAS-RA-L-13-02 December 3, 2012 The Department's Implementation of Financial Incentive Programs under the Energy Efficiency and Conservation Block Grant Program The Department of Energy's (Department) Energy Efficiency and Conservation Block Grant (EECBG) Program, funded for the first time by the American Recovery and Reinvestment Act of 2009 (Recovery Act), was intended to help US cities, counties and states develop, promote, implement and manage energy efficiency and

  15. Audit Report: OAS-RA-13-15 | Department of Energy

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

    5 Audit Report: OAS-RA-13-15 March 21, 2013 The Department of Energy's Industrial Carbon Capture and Storage Program Funded by the American Recovery and Reinvestment Act The Department of Energy (Department) received nearly $1.5 billion through the American Recovery and Reinvestment Act of 2009 (Recovery Act) to invest in clean industrial technologies and sequestration projects through the Industrial Carbon Capture and Storage Program (Carbon Program). The National Energy Technology Laboratory

  16. Audit Report: OAS-RA-13-16 | Department of Energy

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

    6 Audit Report: OAS-RA-13-16 March 28, 2013 The Department of Energy's American Recovery and Reinvestment Act Energy Efficiency and Conservation Block Grant Program-State of Colorado and County of Boulder As part of the American Recovery and Reinvestment Act of 2009 (Recovery Act), the Energy Efficiency and Conservation Block Grant Program received $3.2 billion to develop, promote, implement and manage energy efficiency and conservation projects and programs designed to reduce fossil fuel

  17. Audit Report: OAS-RA-13-22 | Department of Energy

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

    2 Audit Report: OAS-RA-13-22 June 6, 2013 The Hydrogen Energy California Project Under the American Recovery and Reinvestment Act of 2009, the Department of Energy's (Department) Office of Fossil Energy received $3.4 billion to focus on the research, development and deployment of technologies to use coal more cleanly and efficiently. In September 2009, the Department approved a cooperative agreement award with a Government contribution of $308 million to Hydrogen Energy California, LLC (HECA) to

  18. Audit Report: OAS-RA-13-25 | Department of Energy

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

    5 Audit Report: OAS-RA-13-25 June 18, 2013 The Department of Energy's Weatherization Assistance Program Funded under the American Recovery and Reinvestment Act for the State of Michigan Under the American Recovery and Reinvestment Act of 2009 (Recovery Act), the Department of Energy's (Department) Weatherization Assistance Program (Weatherization Program) received $5 billion to improve the energy efficiency of residences owned or occupied by low-income persons. The Department subsequently

  19. Audit Report: OAS-RA-13-26 | Department of Energy

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

    6 Audit Report: OAS-RA-13-26 June 19, 2013 Department of Energy's Interconnection Transmission Planning Program Funded through the American Recovery and Reinvestment Act of 2009 Under the American Recovery and Reinvestment Act of 2009 (Recovery Act), the Department of Energy's (Department) Office of Electricity Delivery and Energy Reliability received about $4.5 billion to modernize the electric grid. About $80 million of this funding was designated for the Interconnection Transmission Planning

  20. Audit Report: OAS-RA-13-28 | Department of Energy

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

    8 Audit Report: OAS-RA-13-28 July 18, 2013 Costs Incurred by Selected Tribal Energy Efficiency and Conservation Block Grant Recipients Under the American Recovery and Reinvestment Act of 2009, the Department of Energy's (Department) Energy Efficiency and Conservation Block Grant (EECBG) Program received $3.2 billion to improve energy efficiency and reduce energy use and fossil fuel emissions. The Department's Office of Energy Efficiency and Renewable Energy allocated about $2.7 billion of the

  1. Audit Report: OAS-RA-13-29 | Department of Energy

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

    9 Audit Report: OAS-RA-13-29 July 25, 2013 The Department of Energy Vehicle Technologies Program's $135 Million in Funding to Ecotality, Inc. The Department of Energy's Vehicle Technologies Program aims to decrease U.S. oil dependence by developing and deploying advanced transportation technologies. The scope of the Program was significantly increased when it received approximately $2.8 billion in funds as part of the American Recovery and Reinvestment Act of 2009. Subsidiary companies of

  2. Audit Report: OAS-RA-13-31 | Department of Energy

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

    31 Audit Report: OAS-RA-13-31 September 27, 2013 The Department of Energy's Hydrogen and Fuel Cells Program The Department of Energy spent approximately $1 billion over the last 5 years on Hydrogen and Fuel Cells Program activities implemented through various projects at Federal laboratories, universities, non-profit institutions, Government agencies and industry participants. The Department also provided an additional $42 million in American Recovery and Reinvestment Act of 2009 funding to

  3. Audit Report: OAS-RA-14-02 | Department of Energy

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

    2 Audit Report: OAS-RA-14-02 November 25, 2013 The Department of Energy's American Recovery and Reinvestment Act Energy Efficiency and Conservation Block Grant Program - District of Columbia The Department of Energy's Energy Efficiency and Conservation Block Grant (EECBG) Program received about $3.2 billion under the American Recovery and Reinvestment Act of 2009 to help state and local entities develop, implement and manage energy efficiency and conservation projects. Of the funding provided,

  4. Audit Report: OAS-RA-14-04 | Department of Energy

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

    4 Audit Report: OAS-RA-14-04 June 17, 2014 Selected Activities of the Office of Energy Efficiency and Renewable Energy's Advanced Manufacturing Office The Department of Energy's Office of Energy Efficiency and Renewable Energy's Advanced Manufacturing Office (Program) is committed to researching, developing and demonstrating new energy-efficient manufacturing processes and material technologies. To meet its mission, the Program distributed funding through financial assistance awards, contracts

  5. Audit Report: OAS-RA-L-13-03 | Department of Energy

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

    3 Audit Report: OAS-RA-L-13-03 February 28, 2013 The Department of Energy's Solid-State Lighting Program The Department of Energy's (Department) Office of Energy Efficiency and Renewable Energy established the Solid-State Lighting Program to advance the development and market introduction of energy-efficient white-light sources for general illumination. The American Recovery and Reinvestment Act of 2009 appropriated more than $41 million to accelerate solid-state lighting research and

  6. Examination Report: OAS-RA-13-17 | Department of Energy

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

    7 Examination Report: OAS-RA-13-17 March 28, 2013 Community Action Partnership of San Bernardino County - Weatherization Assistance Program Funds Provided by the American Recovery and Reinvestment Act of 2009 As part of the American Recovery and Reinvestment Act of 2009 (Recovery Act), the Weatherization Assistance Program (Weatherization Program) received $5 billion to reduce energy consumption for low-income households through energy efficient upgrades. The State of California received $186

  7. Examination Report: OAS-RA-13-18 | Department of Energy

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

    8 Examination Report: OAS-RA-13-18 April 18, 2013 Travis County Health & Human Services and Veterans Services Weatherization Assistance Program Funds Provided by the ARRA of 2009 As part of the American Recovery and Reinvestment Act of 2009 (Recovery Act), the Weatherization Assistance Program (Weatherization Program) received $5 billion to reduce energy consumption for low-income households through energy efficient upgrades. The State of Texas received $327 million in Weatherization Program

  8. Examination Report: OAS-RA-13-19 | Department of Energy

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

    9 Examination Report: OAS-RA-13-19 April 30, 2013 Selected Sub-grantees of the Department of Energy's American Recovery and Reinvestment Act of 2009 - Illinois State Energy Program The Department of Energy's (Department) State Energy Program (SEP) provides grants to states, territories, and the District of Columbia to support energy priorities and fund projects that meet their unique energy needs. The American Recovery and Reinvestment Act of 2009 (Recovery Act) significantly expanded the SEP by

  9. Examination Report: OAS-RA-13-21 | Department of Energy

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

    1 Examination Report: OAS-RA-13-21 May 14, 2013 South Carolina Energy Office - Energy Efficiency and Conservation Block Grant Program Funds Provided by the American Recovery and Reinvestment Act of 2009 The American Recovery and Reinvestment Act of 2009 (Recovery Act) was enacted to promote economic prosperity through job creation and encourage investment in the Nation's energy future. As part of the Recovery Act, the Energy Efficiency and Conservation Block Grant (EECBG) Program received about

  10. Examination Report: OAS-RA-13-23 | Department of Energy

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

    3 Examination Report: OAS-RA-13-23 June 18, 2013 Area Community Services Employment and Training Council - Weatherization Assistance Program Funds Provided by the American Recovery and Reinvestment Act of 2009 The American Recovery and Reinvestment Act of 2009 (Recovery Act) was enacted to promote economic prosperity through job creation and encourage investment in the Nation's energy future. As part of the Recovery Act, the Weatherization Assistance Program (Weatherization Program) received $5

  11. Examination Report: OAS-RA-13-24 | Department of Energy

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

    4 Examination Report: OAS-RA-13-24 June 18, 2013 Southwest Michigan Community Action Agency - Weatherization Assistance Program Funds Provided by the American Recovery and Reinvestment Act of 2009 The American Recovery and Reinvestment Act of 2009 (Recovery Act) was enacted to promote economic prosperity through job creation and encourage investment in the Nation's energy future. As part of the Recovery Act, the Weatherization Assistance Program (Weatherization Program) received $5 billion to

  12. Special Report: OAS-RA-L-14-01 | Department of Energy

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

    L-14-01 Special Report: OAS-RA-L-14-01 April 14, 2014 Allegations Regarding the Department of Energy's State Energy Program Funding to South Dakota South Dakota used its American Recovery and Reinvestment Act of 2009 (Recovery Act) State Energy Program (SEP) funds to identify and implement cost-effective energy conservation measures at state institutions such as schools, prisons, and administrative buildings. It allocated about $23.5 million in subgrants to 22 state institutions for 48 projects,

  13. Microsoft Word - Biosketches_P&RA CoP 2014-12-11

    Office of Environmental Management (EM)

    Biosketches of Speakers Performance & Risk Assessment Community of Practice (P&RA CoP) Technical Exchange Meeting Las Vegas, NV December 11-12, 2014 Mr. Bill Levitan U.S. Department of Energy, Associate Deputy Assistant Secretary for Site Restoration. His training and experience is with environmental regulations and associated risk analysis. The first part of his career was in environmental consulting and for the past 21 years with DOE Office of Environmental Management. Ming Zhu, Ph.D.,

  14. Evolution of magnetic properties and microstructure of Hf2Co11B alloys

    Office of Scientific and Technical Information (OSTI)

    (Journal Article) | SciTech Connect Journal Article: Evolution of magnetic properties and microstructure of Hf2Co11B alloys Citation Details In-Document Search Title: Evolution of magnetic properties and microstructure of Hf2Co11B alloys Authors: McGuire, Michael A [1] ; Rios, Orlando [1] + Show Author Affiliations ORNL Publication Date: 2015-01-01 OSTI Identifier: 1185598 DOE Contract Number: DE-AC05-00OR22725 Resource Type: Journal Article Resource Relation: Journal Name: Journal of

  15. Triaxial strongly deformed bands in {sup 164}Hf and the effect of elevated yrast line

    SciTech Connect (OSTI)

    Ma Wenchao

    2012-10-20

    Two exotic rotational bands have been identified in {sup 164}Hf and linked to known states. They are interpreted as being associated with the calculated triaxial strongly deformed (TSD) potential energy minimum. The bands are substantially stronger and are located at much lower spins than the previously discovered TSD bands in {sup 168}Hf. In addition to the proton and neutron shell gaps at large trixiality, it was proposed that the relative excitation energy of TSD bands above the yrast line plays an important role in the population of TSD bands.

  16. Crystallization of Zr2PdxCu(1-x) and Zr2NixCu(1-x) Metallic Glass

    SciTech Connect (OSTI)

    Min Xu

    2008-08-18

    One interesting aspect of rretallic glasses is the numerous instances of the deviation of the phase selection from the amorphous state to thermodynamically stable phases during the crystallization process. Their devitrification pathways allow us to study the relationship between the original amorphous structure and their crystalline counter parts. Among the various factors of phase selections, size and electronic effects have been most extensively studied. Elucidating the phase selection process of a glassy alloy will be helpful to fill in the puzzle of the changes from disordered to ordered structures. In this thesis, Two model Zr{sub 2}Pd{sub x}Cu{sub (1-x)} and Zr{sub 2}Ni{sub x}Cu{sub (1-x)} (x = 0, 0.25, 0.5, 0.75 and 1) glassy systems were investigated since: (1) All of the samples can be made into a homogenous metallic glass; (2) The atomic radii differ from Pd to Cu is by 11%, while Ni has nearly the identical atomic size compare to Cu. Moreover, Pd and Ni differ by only one valence electron from Cu. Thus, these systems are ideal to test the idea of the effects of electronic structure and size factors; (3) The small number of components in these pseudo binary systems readily lend themselves to theoretical modeling. Using high temperature X-ray diffraction {HTXRD) and thermal analysis, topological, size, electronic, bond and chemical distribution factors on crystallization selections in Zr{sub 2}Pd{sub x}Cu{sub (1-x)} and Zr{sub 2}Ni{sub x}Cu{sub (1-x)} metallic glass have been explored. All Zr{sub 2}Pd{sub x}Cu{sub (1-x)} compositions share the same Cu11b phase with different pathways of meta-stable, icosahedral quasicrystalline phase (i-phase), and C16 phase formations. The quasicrystal phase formation is topologically related to the increasing icosahedral short range order (SRO) with Pd content in Zr{sub 2}Pd{sub x}Cu{sub (1·x)} system. Meta-stable C16 phase is competitive with C11b phase at x = 0.5, which is dominated by electronic structure rather than size effects. Cu-rich and Ni-rich compositions in Zr{sub 2}Ni{sub x}Cu{sub (1-x)} trend to divitrify to C11b or C16 phases respectively. In the proposed pseudo binary phase diagram, the domain of C16, C11b and co-existence phases are mainly related with the topology in the amorphous structure and formation enthalpies of crystalline phases.

  17. On the possibility of simultaneous emission of an autonomous cw HF-DF chemical laser in two spectral ranges

    SciTech Connect (OSTI)

    Bashkin, A S; Gurov, L V; Katorgin, B I; Petrova, S N; Polinovsky, D V

    2008-05-31

    The efficiencies of different fuel compositions used in the combustion chamber of an autonomous cw chemical HF-DF laser for obtaining high specific energy parameters during simultaneous lasing in HF and DF molecules in two spectral ranges are theoretically analysed. It is shown that mirrors with the reflectance above 99% in these spectral ranges can be manufactured in principle. (lasers)

  18. Plant cyclopeptide RA-V kills human breast cancer cells by inducing mitochondria-mediated apoptosis through blocking PDK1AKT interaction

    SciTech Connect (OSTI)

    Fang, Xian-Ying; Chen, Wei; Fan, Jun-Ting; Song, Ran; Wang, Lu; Gu, Yan-Hong; Zeng, Guang-Zhi; Shen, Yan; Wu, Xue-Feng; Tan, Ning-Hua; Xu, Qiang; Sun, Yang

    2013-02-15

    In the present paper, we examined the effects of a natural cyclopeptide RA-V on human breast cancer cells and the underlying mechanisms. RA-V significantly inhibited the growth of human breast cancer MCF-7, MDA-MB-231 cells and murine breast cancer 4T1 cells. In addition, RA-V triggered mitochondrial apoptotic pathway which was indicated by the loss of mitochondrial membrane potential, the release of cytochrome c, and the activation of caspase cascade. Further study showed that RA-V dramatically inhibited phosphorylation of AKT and 3-phosphoinositide dependent protein kinase 1 (PDK1) in MCF-7 cells. Moreover, RA-V disrupted the interaction between PDK1 and AKT in MCF-7 cells. Furthermore, RA-V-induced apoptosis could be enhanced by phosphatidylinositol 3-kinase inhibitor or attenuated by over-expression of AKT in all the three kinds of breast cancer cells. Taken together, this study shows that RA-V, which can induce mitochondria-mediated apoptosis, exerts strong anti-tumor activity against human breast cancer. The underlying anti-cancer mechanism of RA-V is related to the blockage of the interaction between PDK1 and AKT. - Highlights: ? Plant cyclopeptide RA-V kills human breast cancer cells. ? RA-V triggered mitochondrial apoptotic pathway in human breast cancer cells. ? RA-V inhibited phosphorylation of AKT and PDK1 in breast cancer MCF-7 cells. ? Its mechanism is related to the blockage of the interaction between PDK1 and AKT.

  19. The analysis of Ytrium doped BaZrO3

    Office of Scientific and Technical Information (OSTI)

    Enhanced Power Stability for Proton Conducting Solid Oxides Fuel Cells Report Title: Computational modeling, synthesis, and characterization of BaZr 1-x Y x O 3-δ solid state proton conductor. Type of Report: Semi-Annual Technical Progress Report Reporting Period Start Date: March 30, 2003 Reporting Period End Date: September 30, 2003 Principle Authors: Boris Merinov, Claudio O. Dorso, William A. Goddard III, Jian Wu, and Sossina Haile Date Report was Issued: October 30, 2003 DOE Award Number:

  20. Audit Report: OAS-RA-L-11-04 | Department of Energy

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

    1-04 Audit Report: OAS-RA-L-11-04 March 2, 2011 The Department's Infrastructure Modernization Projects under the Recovery and Reinvestment Act of 2009 The American Recovery and Reinvestment Act of 2009 (Recovery Act) was enacted on February 17, 2009. The goals of the Recovery Act are to retain or create jobs, increase economic efficiency, and invest in infrastructure that will provide long-term economic benefits. The Recovery Act provided just over $36 billion for the Department of Energy

  1. Special Report: OAS-RA-09-01 | Department of Energy

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

    09-01 Special Report: OAS-RA-09-01 March 20, 2009 Special Report on "The American Recovery and Reinvestment Act at the Department of Energy" The American Recovery and Reinvestment Act of 2009 (Recovery Act) was signed into law on February 17, 2009, as a way to jumpstart the U.S. economy, create or save millions of jobs, spur technological advances in science and health,and invest in the Nation's energy future. This national effort will require an unprecedented level of transparency and

  2. Special Report: OAS-RA-12-03 | Department of Energy

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

    2-03 Special Report: OAS-RA-12-03 January 18, 2012 Lessons Learned/Best Practices during the Department of Energy's Implementation of the American Recovery and Reinvestment Act of 2009 The American Recovery and Reinvestment Act of 2009 (Recovery Act) was signed into law on February 17, 2009 as a way to jumpstart the U.S. economy, create or save millions of jobs, spur technological advances in science and health, and invest in the Nation's energy future. As part of the Recovery Act, the

  3. Audit Letter Report: OAS-RA-L-10-02 | Department of Energy

    Energy Savers [EERE]

    2 Audit Letter Report: OAS-RA-L-10-02 April 16, 2010 Audit of Fermi National Accelerator Laboratory's NOvA Project The NuMI Off-Axis electron neutrino (ve) Appearance (NOvA) experiment is a neutrino physics research project conducted by the Office of Science's Fermi National Accelerator Laboratory (Fermilab). The goal of the NOvA experiment is to advance the understanding of neutrino particles. Fermilab, in coordination with the University of Minnesota (University), must complete an accelerator

  4. Audit Report: OAS-RA-09-04 | Department of Energy

    Energy Savers [EERE]

    09-04 Audit Report: OAS-RA-09-04 September 4, 2009 Department of Energy's Efforts to Meet Accountability and Performance Reporting Objectives of the American Recovery and Reinvestment Act The purpose of the American Recovery and Reinvestment Act of 2009 (Recovery Act) was to jumpstart the U.S. economy, create or save millions of jobs, spur technological advances in health and science, and invest in the Nation's energy future. The Department of Energy will receive an unprecedented $38 billion in

  5. Audit Report: OAS-RA-L-11-10 | Department of Energy

    Energy Savers [EERE]

    0 Audit Report: OAS-RA-L-11-10 July 21, 2011 Department of Energy's Controls over Recovery Act Spending at the Idaho National Laboratory The Department of Energy's (Department) Office of Environmental Management (EM) oversees two major contracts forcleaning up the legacy contamination at the Idaho National Laboratory (INL). The 7 year, $2.9 billion contract with CH2M♦WG Idaho, LLC (CWI), was established in 2005, for a wide range of INL clean-up functions and is scheduled to end September 30,

  6. Audit Report: OAS-RA-L-11-13 | Department of Energy

    Energy Savers [EERE]

    3 Audit Report: OAS-RA-L-11-13 September 30, 2011 The 12 GeV CEBAF Upgrade Project at Thomas Jefferson National Accelerator Facility In September 2008, the Department of Energy's (Department) Office of Science approved a construction project to double the electron beam energy of the Continuous Electron Beam Accelerator Facility at the Thomas Jefferson National Accelerator Facility (Jefferson Laboratory) from 6 to 12 billion electron volts (GeV). We found that the 12 GeV Upgrade Project (Upgrade

  7. Audit Report: OAS-RA-L-13-04 | Department of Energy

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

    4 Audit Report: OAS-RA-L-13-04 July 9, 2013 Modular Office Facilities for Recovery Act Program Activities at the Hanford Site The Department of Energy's Richland Operations Office (Richland) awarded a contract, effective October 1, 2008, to CH2M HILL Plateau Remediation Company (CHPRC) to remediate select portions of the Hanford Site's Central Plateau. As part of the American Recovery and Reinvestment Act of 2009 (Recovery Act), Richland designated $1.3 billion of Recovery Act funding to the

  8. Special Report: OAS-RA-14-03 | Department of Energy

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

    3 Special Report: OAS-RA-14-03 February 19, 2014 Allegations of Potential Fraud and Mismanagement of a Smart Grid Investment Grant Program Award As part of the American Recovery and Reinvestment Act of 2009, the Office of Electricity Delivery and Energy Reliability received about $4.5 billion to modernize the electric grid, with about $3.5 billion allocated to the Smart Grid Investment Grant (SGIG) Program. Under the SGIG Program, Progress Energy Service Company (Progress Energy) received a $200

  9. Radiation damage in cubic-ZrO2 and yttria-stabilized zirconia from molecular dynamics simulations

    SciTech Connect (OSTI)

    Aidhy, Dilpuneet S; Zhang, Yanwen; Weber, William J

    2015-01-01

    We perform molecular dynamics simulation on cubic ZrO2 and yttria-stabilized zirconia (YSZ) to elucidate defect cluster formation resulting from radiation damage, and evaluate the impact of Y-dopants. Interstitial clusters composed of split-interstitial building blocks, i.e., Zr-Zr or Y-Zr are formed. Oxygen vacancies control cation defect migration; in their presence, Zr interstitials aggregate to form split-interstitials whereas in their absence Zr interstitials remain immobile, as isolated single-interstitials. Y-doping prevents interstitial cluster formation due to sequestration of oxygen vacancies.

  10. Highly Stable Porphyrinic Zr-MOFs for CO2 Fixation | Center for Gas

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

    SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Highly Stable Porphyrinic Zr-MOFs for CO2 Fixation

  11. A Stable Zr-Porphyrinic MOF Exhibiting pH-Dependent Fluorescence | Center

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

    for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome A Stable Zr-Porphyrinic MOF Exhibiting pH-Dependent Fluorescence

  12. Microstructural studies on cast Zr[sub 3]Al-3wt%Nb

    SciTech Connect (OSTI)

    Tewari, R.; Dey, G.K.; Mukhopadhyay, P.; Banerjee, S. . Metallurgy Div.)

    1994-05-01

    In the binary Zr-Al system, Zr[sub 3]Al is the intermetallic phase richest in zirconium. In view of its low absorption cross section for thermal neutrons and its good strength and corrosion resistance, Zr[sub 3]Al may have possible applications as a structural material in thermal reactors. This phase has the ordered cubic L1[sub 2] structure and forms through the peritectoid reaction: [beta]-Zr + Zr[sub 2]Al[minus] > Zr[sub 3]Al, the reaction temperature being 1,292 K. Structurally Zr[sub 3]Al is quite similar to the [alpha][sub 2] or the Ti[sub 3]Al phase (ordered hexagonal DO[sub 19] structure) in the Ti-Al system, the two structures differing only in the stacking sequence of the close packed atomic layers. But for its inherent brittleness, Ti[sub 3]Al is a promising structural material for aerospace applications. It has, however, been demonstrated that niobium additions can reduce the brittleness of this phase. Studies on the Ti[sub 3]Al-Nb system have also shown that niobium stabilizes the high temperature [beta] phase (bcc structure) which, on cooling, can decompose through various phase reactions, generating some interesting microstructures. Similar studies on the Zr[sub 3]Al-Nb system have not been reported yet. The present paper describes some microstructural observations made on a cast Zr[sub 3]Al-3wt%Nb alloy.

  13. Comparative Analysis Of {sup 226}Ra Soil-To-Plant Transfer In Cabbage Grown In Various Regions

    SciTech Connect (OSTI)

    Madruga, M. J.; Carvalho, F. P.; Silva, L.; Gouveia, J. [Nuclear and Technological Institute/Department of Radiological Protection and Nuclear Safety E.N. 10, 2686-953 Sacavem (Portugal)

    2008-08-07

    The transfer of {sup 226}Ra from soil to cabbage was compared amongst regions, namely the surroundings of Urgeirica uranium milling tailings (GE), regions with past uranium mining activities (GN1), and regions with no uranium mining activities and no uranium deposits (GN2). Results show a slight increase of the concentration ratio values at low radium concentration in soils. Statistical analysis of the mean {sup 226}Ra activity concentrations in soil and cabbage for the three regions was carried out. The comparison of {sup 226}Ra activity concentrations in soils indicated no difference (p>0.05), between GE and GN2 and significant differences (p<0.05) between GE and GN1 and between GN1 and GN2. Similar statistical results were obtained for {sup 226}Ra activity concentrations in cabbage from the same regions. It was concluded that radium Concentration Ratio (CR) for cabbage grown in the region of the main uranium milling site (GE) is of the same order of magnitude of CR in cabagge grown in background regions (GN2). However, {sup 226}Ra CR was higher in cabagge from the region with past uranium mining activities (GN1)

  14. g factor of the 2{sub 1}{sup +} state of {sup 172}Hf

    SciTech Connect (OSTI)

    Berant, Z.; Wolf, A.; Oster, E.; Casperson, R. J.; Werner, V.; Heinz, A.; Casten, R. F.; Terry, J. R.; Winkler, R.; Williams, E.; Qian, J.; Schmidt, A.; Smith, M. K.; Ahn, T.; Gurdal, G.; McCutchan, E. A.; Brenner, D. S.; Beausang, C. W.; Regan, P. H.; Ross, T.

    2009-11-15

    The g factor of the 2{sub 1}{sup +} state of {sup 172}Hf was measured using the perturbed angular correlation technique in a static external magnetic field. The result, g(2{sub 1}{sup +})=0.25(5), is discussed in relation to the systematics of the previously reported g factors in the Hf isotopes and compared with the predictions of several models. An interesting outcome of the analysis presented in this paper is the agreement between the calculated g factors within the interacting boson approximation (IBA) and the results of a large-scale shell model calculation. This agreement supports the emphasis in the IBA on the valence space. The undershooting of the empirical g factors near midshell in both models suggests that they underestimate the role of the saturation of collectivity, which is explicitly incorporated into a phenomenological model that agrees better with the data.

  15. g-factor of the 2{sup+}{sub{1} state of {sup179}Hf.

    SciTech Connect (OSTI)

    Berant, Z.; Oster, E.; Wolf, A.; Casperson, R. J.; Werner, V.; McCutchan, E. A.

    2009-01-01

    The g factor of the 2{sub 1}{sup +} state of {sup 172}Hf was measured using the perturbed angular correlation technique in a static external magnetic field. The result, g(2{sub 1}{sup +}) = 0.25(5), is discussed in relation to the systematics of the previously reported g factors in the Hf isotopes and compared with the predictions of several models. An interesting outcome of the analysis presented in this paper is the agreement between the calculated g factors within the interacting boson approximation (IBA) and the results of a large-scale shell model calculation. This agreement supports the emphasis in the IBA on the valence space. The undershooting of the empirical g factors near midshell in both models suggests that they underestimate the role of the saturation of collectivity, which is explicitly incorporated into a phenomenological model that agrees better with the data.

  16. Mode specificity in the HF + OH → F + H{sub 2}O reaction

    SciTech Connect (OSTI)

    Song, Hongwei; Li, Jun; Guo, Hua

    2014-10-28

    Full-dimensional quantum dynamics and quasi-classical trajectory calculations are reported for the title reaction on a recently constructed ab initio based global potential energy surface. Strong mode specificity was found, consistent with the prediction of the sudden vector projection model. Specifically, the HF vibration strongly promotes the reaction while the OH vibration has little effect. Rotational excitations of both reactants slightly enhance the reaction.

  17. Thermodynamic Modeling and Experimental Study of the Fe-Cr-Zr System

    SciTech Connect (OSTI)

    Yang, Ying; Tan, Lizhen; Bei, Hongbin; Busby, Jeremy T

    2013-01-01

    Wide applications of zircaloys, stainless steels and their interactions in nuclear reactors require the knowledge on phase stability and thermodynamic property of the Fe-Cr-Zr system. This knowledge is also important to develop new Zr-contained Fe-Cr ferritic steels. This work aims at developing thermodynamic models for describing phase stability and thermodynamic property of the Fe-Cr-Zr system using the Calphad approach coupled with experimental study. Thermodynamic descriptions of the Fe-Cr and Cr-Zr systems were either directly adopted or slightly modified from literature. The Fe-Zr system has been remodeled to accommodate recent ab-initio calculation of formation enthalpies of various Fe-Zr compounds. Reliable ternary experimental data and thermodynamic models were mainly available in the Zr-rich region. Therefore, selected ternary alloys located in the vicinity of the eutectic valley of (Fe,Cr,Zr) and (Fe,Cr)2Zr laves phase in the Fe-rich region have been experimentally investigated in this study. Microstructure has been examined by using scanning electron microscope, energy-dispersive Xray spectroscopy and X-ray diffraction. These experimental results, along with the literature data were then used to develop thermodynamic models for phases in the Fe-Cr-Zr system. Calculated phase equilibria and thermodynamic properties of the ternary system yield satisfactory agreements with available experimental data, which gives the confidence to use these models as building blocks for developing a Zr, Fe and Cr contained multicomponent thermodynamic database for broader applications in nuclear reactors.

  18. Electronic properties of InP (001)/HfO{sub 2} (001) interface: Band offsets and oxygen dependence

    SciTech Connect (OSTI)

    KC, Santosh; Dong, Hong; Longo, Roberto C.; Xiong, Ka; Wang, Weichao; Wallace, Robert M.; Cho, Kyeongjae

    2014-01-14

    Using ab-initio methods, atomic structures and electronic properties of InP (001)/HfO{sub 2} (001) interface are studied within the framework of density functional theory. We examine the InP/HfO{sub 2} model interface electronic structures under varying oxidation conditions. The effects of indium and phosphorous concentrations on interfacial bonding, defect states, band offsets, and the thermodynamic stability at the interface are also investigated. The origin of interfacial gap states in InP (001)/HfO{sub 2} (001) interface are proposed, mainly from the P-rich oxides, which is validated by our experimental work. This highlights the importance of surface passivation prior to high-κ deposition based on the in situ spectroscopic results of atomic layer deposition of HfO{sub 2} on InP.

  19. In situ study of e-beam Al and Hf metal deposition on native oxide InP (100)

    SciTech Connect (OSTI)

    Dong, H.; KC, Santosh; Azcatl, A.; Cabrera, W.; Qin, X.; Brennan, B.; Cho, K.; Wallace, R. M.; Zhernokletov, D.

    2013-11-28

    The interfacial chemistry of thin Al (∼3 nm) and Hf (∼2 nm) metal films deposited by electron beam (e-beam) evaporation on native oxide InP (100) samples at room temperature and after annealing has been studied by in situ angle resolved X-ray photoelectron spectroscopy and low energy ion scattering spectroscopy. The In-oxides are completely scavenged forming In-In/In-(Al/Hf) bonding after Al and Hf metal deposition. The P-oxide concentration is significantly decreased, and the P-oxide chemical states have been changed to more P-rich oxides upon metal deposition. Indium diffusion through these metals before and after annealing at 250 °C has also been characterized. First principles calculation shows that In has lower surface formation energy compared with Al and Hf metals, which is consistent with the observed indium diffusion behavior.

  20. Report on Characterization of U-10 wt.% Zr Alloy

    SciTech Connect (OSTI)

    McKeown, J; Wall, M; Hsiung, L; Turchi, P

    2012-03-01

    This report summarizes the chemical and structural characterization results for a U-10 wt.% Zr alloy to be used in an ultra-high burn-up nuclear fuel concept. The as-cast alloy material was received from Texas A and M University. Characterization and an initial heat treatment of the alloy material were conducted at Lawrence Livermore National Laboratory. The as-received ingot was sectioned for X-ray analysis, metallography, SEM, TEM, and heat treatments, as shown in Figure 1.

  1. Radiative strength functions for dipole transitions in {sup 90}Zr

    SciTech Connect (OSTI)

    Fedorets, I. D. Ratkevich, S. S.

    2013-01-15

    Partial cross sections for the (p, {gamma}) reaction on the {sup 89}Y nucleus that were measured previously at proton energies between 2.17 and 5.00 MeV and which were averaged over resonances were used to determine the absolute values and the energy distribution of the strength of dipole transitions from compound-nucleus states to low-lying levels of the {sup 90}Zr nucleus. The data obtained in this way were compared with the predictions of various models.

  2. Construction of Ultrastable Porphyrin Zr Metal-Organic Frameworks through

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

    Linker Elimination | Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Construction of Ultrastable Porphyrin Zr Metal-Organic Frameworks through Linker Elimination Previous Next List Dawei Feng, Wan-Chun Chung, Zhangwen Wei, Zhi-Yuan Gu, Hai-Long Jiang, Ying-Pin Chen, Donald J. Darensbourg, and Hong-Cai Zhou, J. Am. Chem. Soc., 135, 17105-17110 (2013) DOI: 10.1021/ja408084j Abstract Image Abstract: A series of highly stable MOFs with 3-D nanochannels, namely

  3. Active eutectoid decomposition in Zr-3 wt.% Fe

    SciTech Connect (OSTI)

    Kumar, L.; Ramanujan, R.V.; Tewari, R.; Mukhopadhyay, P.; Banerjee, S.

    1999-02-19

    In the work reported here, the microstructural features associated with the active eutectoid decomposition of a near eutectoid alloy (Zr-3 wt.%Fe) on {beta} quenching were examined. The effects of aging after {beta} quenching, and of furnace cooling from the {beta} phase field, on the microstructure of the alloy were also studied. The microstructural characterization was carried out using optical microscopy, scanning electron microscopy (SEM), transmission electron microscopy (TEM). The room temperature mechanical properties corresponding to some of the microstructures were evaluated by mechanical testing.

  4. Atomistic Studies of Cation Transport in Tetragonal ZrO2 During Zirconium Corrosion

    SciTech Connect (OSTI)

    Xian-Ming Bai; Yongfeng Zhang; Michael R. Tonks

    2013-10-01

    Zirconium alloys are the major fuel cladding materials in current reactors. The water-side corrosion is one of the major degradation mechanisms of these alloys. During corrosion the transport of oxidizing species in zirconium dioxide (ZrO2) determines the corrosion kinetics. Previously it has been argued that the outward diffusion of cation ions is important for forming protective oxides. In this work, the migration of Zr defects in tetragonal ZrO2 is studied with temperature accelerated dynamics and molecular dynamics simulations. The results show that Zr interstitials have anisotropic diffusion and migrate preferentially along the [001] or c direction in tetragonal ZrO2. The compressive stresses can increase the Zr interstitial migration barrier significantly. The migration barriers of some defect clusters can be much lower than those of point defects. The migration of Zr interstitials at some special grain boundaries is much slower than in a bulk oxide. The implications of these atomistic simulation results in the Zr corrosion are discussed.

  5. Microsoft Word - 2013-12-12 P&RA CoP Webinar_121113

    Office of Environmental Management (EM)

    December 12 (Wednesday), 2013, 1:00 to 3:15 pm EST Agenda 1:00 - 1:05 pm Introductions (Ming Zhu, DOE EM) 1:05 - 1:15 pm DOE EM Management Opening Remarks (Bill Levitan, DOE EM) 1:15 - 1:30 pm P&RA CoP Charter (Ming Zhu, DOE EM) 1:30 - 2:30 pm Presentation on Hanford Site Graded Approach to Vadose Zone Modeling: Current Status and Future Applications (Alaa Aly, CHPRC and Dib Goswami, WA Ecology) 2:30 - 3:00 pm Discussion on Graded Approach (All) 3:00 - 3:15 pm Plans for Future Activities

  6. UNITED STATE% ENGINEER OFFICE I" RaCLI MANHATTAN D' ISTRICT

    Office of Legacy Management (LM)

    =A-; _.__ - ._-.. w-1 -~ ,.. P..*e ,e.arzUE.m ~-~JuTm-&a- . . .~ _ UNITED STATE% ENGINEER OFFICE I" RaCLI MANHATTAN D' ISTRICT RLFSR TO ; I=. 0. eox a ,. STATJON J= N E W YORK, N. Y. ~~~tr.~et h % -j&2 Smg-J E" I, du da r"r~~~~e 4% bP&wQ I tlnatodt 3tut8a ~o~tra~t~~ Q.tYiQlaT,* Erar%by r&08, acthg tdwo*. ttra tm!wi~Qmd in tholr dartost ptmx&b~as t&q, #' pm OLIN tit-h you that yell shtikn, the l_aboq at&M.&~, tada, aatbioerg, ae+nt, JkdUtiar,

  7. Structure in solution of the RNAter dot DNA hybrid (rA) sub 8 ter dot (dT)

    Office of Scientific and Technical Information (OSTI)

    sub 8 determined by NMR and Raman spectroscopy (Journal Article) | SciTech Connect Structure in solution of the RNAter dot DNA hybrid (rA) sub 8 ter dot (dT) sub 8 determined by NMR and Raman spectroscopy Citation Details In-Document Search Title: Structure in solution of the RNAter dot DNA hybrid (rA) sub 8 ter dot (dT) sub 8 determined by NMR and Raman spectroscopy The solution structure of the hybrid RNA{center dot}DNA octamer (rA){sub 8}{center dot}(dT){sub 8} has been determined by

  8. Performance enhancement of GaN metalsemiconductormetal ultraviolet photodetectors by insertion of ultrathin interfacial HfO{sub 2} layer

    SciTech Connect (OSTI)

    Kumar, Manoj E-mail: aokyay@ee.bilkent.edu.tr; Tekcan, Burak; Okyay, Ali Kemal E-mail: aokyay@ee.bilkent.edu.tr

    2015-03-15

    The authors demonstrate improved device performance of GaN metalsemiconductormetal ultraviolet (UV) photodetectors (PDs) by ultrathin HfO{sub 2} (UT-HfO{sub 2}) layer on GaN. The UT-HfO{sub 2} interfacial layer is grown by atomic layer deposition. The dark current of the PDs with UT-HfO{sub 2} is significantly reduced by more than two orders of magnitude compared to those without HfO{sub 2} insertion. The photoresponsivity at 360?nm is as high as 1.42 A/W biased at 5 V. An excellent improvement in the performance of the devices is ascribed to allowed electron injection through UT-HfO{sub 2} on GaN interface under UV illumination, resulting in the photocurrent gain with fast response time.

  9. HF-based etching processes for improving laser damage resistance of fused silica optical surfaces

    SciTech Connect (OSTI)

    Suratwala, T I; Miller, P E; Bude, J D; Steele, R A; Shen, N; Monticelli, M V; Feit, M D; Laurence, T A; Norton, M A; Carr, C W; Wong, L L

    2010-02-23

    The effect of various HF-based etching processes on the laser damage resistance of scratched fused silica surfaces has been investigated. Conventionally polished and subsequently scratched fused silica plates were treated by submerging in various HF-based etchants (HF or NH{sub 4}F:HF at various ratios and concentrations) under different process conditions (e.g., agitation frequencies, etch times, rinse conditions, and environmental cleanliness). Subsequently, the laser damage resistance (at 351 or 355 nm) of the treated surface was measured. The laser damage resistance was found to be strongly process dependent and scaled inversely with scratch width. The etching process was optimized to remove or prevent the presence of identified precursors (chemical impurities, fracture surfaces, and silica-based redeposit) known to lead to laser damage initiation. The redeposit precursor was reduced (and hence the damage threshold was increased) by: (1) increasing the SiF{sub 6}{sup 2-} solubility through reduction in the NH4F concentration and impurity cation impurities, and (2) improving the mass transport of reaction product (SiF{sub 6}{sup 2-}) (using high frequency ultrasonic agitation and excessive spray rinsing) away from the etched surface. A 2D finite element crack-etching and rinsing mass transport model (incorporating diffusion and advection) was used to predict reaction product concentration. The predictions are consistent with the experimentally observed process trends. The laser damage thresholds also increased with etched amount (up to {approx}30 {micro}m), which has been attributed to: (1) etching through lateral cracks where there is poor acid penetration, and (2) increasing the crack opening resulting in increased mass transport rates. With the optimized etch process, laser damage resistance increased dramatically; the average threshold fluence for damage initiation for 30 {micro}m wide scratches increased from 7 to 41 J/cm{sup 2}, and the statistical probability of damage initiation at 12 J/cm{sup 2} of an ensemble of scratches decreased from {approx}100 mm{sup -1} of scratch length to {approx}0.001 mm{sup -1}.

  10. Structures and magnetic properties of Co-Zr-B magnets studied by first-principles calculations

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

    Zhao, Xin; Ke, Liqin; Nguyen, Manh Cuong; Wang, Cai -Zhuang; Ho, Kai -Ming

    2015-06-23

    The structures and magnetic properties of Co-Zr-B alloys near the composition of Co5Zr with B at. % ≤6% were studied using adaptive genetic algorithm and first-principles calculations. The energy and magnetic moment contour maps as a function of chemical composition were constructed for the Co-Zr-B magnet alloys through extensive structure searches and calculations. We found that Co-Zr-B system exhibits the same structure motif as the “Co11Zr2” polymorphs, and such motif plays a key role in achieving strong magnetic anisotropy. Boron atoms were found to be able to substitute cobalt atoms or occupy the “interruption” sites. First-principles calculations showed that themore » magnetocrystalline anisotropy energies of the boron-doped alloys are close to that of the high-temperature rhombohedral Co5Zr phase and larger than that of the low-temperature Co5.25Zr phase. As a result, our calculations provide useful guidelines for further experimental optimization of the magnetic performances of these alloys.« less

  11. Structures and magnetic properties of Co-Zr-B magnets studied by first-principles calculations

    SciTech Connect (OSTI)

    Zhao, Xin; Ke, Liqin; Nguyen, Manh Cuong; Wang, Cai -Zhuang; Ho, Kai -Ming

    2015-06-23

    The structures and magnetic properties of Co-Zr-B alloys near the composition of Co5Zr with B at. % ≤6% were studied using adaptive genetic algorithm and first-principles calculations. The energy and magnetic moment contour maps as a function of chemical composition were constructed for the Co-Zr-B magnet alloys through extensive structure searches and calculations. We found that Co-Zr-B system exhibits the same structure motif as the “Co11Zr2” polymorphs, and such motif plays a key role in achieving strong magnetic anisotropy. Boron atoms were found to be able to substitute cobalt atoms or occupy the “interruption” sites. First-principles calculations showed that the magnetocrystalline anisotropy energies of the boron-doped alloys are close to that of the high-temperature rhombohedral Co5Zr phase and larger than that of the low-temperature Co5.25Zr phase. As a result, our calculations provide useful guidelines for further experimental optimization of the magnetic performances of these alloys.

  12. Phase-field modeling of the beta to omega phase transformation in Zr-Nb

    Office of Scientific and Technical Information (OSTI)

    alloys (Journal Article) | SciTech Connect Phase-field modeling of the beta to omega phase transformation in Zr-Nb alloys Citation Details In-Document Search Title: Phase-field modeling of the beta to omega phase transformation in Zr-Nb alloys A three-dimensional elastoplastic phase-field model is developed, using the finite element method (FEM), for modeling the athermal beta to omega phase transformation in Zr-Nb alloys by including plastic deformation and strain hardening of the material.

  13. Phase-field modeling of the beta to omega phase transformation in Zr-Nb

    Office of Scientific and Technical Information (OSTI)

    alloys (Journal Article) | SciTech Connect Phase-field modeling of the beta to omega phase transformation in Zr-Nb alloys Citation Details In-Document Search This content will become publicly available on May 1, 2016 Title: Phase-field modeling of the beta to omega phase transformation in Zr-Nb alloys A three-dimensional elastoplastic phase-field model is developed, using the Finite Element Method (FEM), for modeling the athermal beta to omega phase transformation in Zr-Nb alloys by

  14. Quantitative phase analysis of Mg:ZrO{sub 2} nanoparticles by Rietveld refinement method

    SciTech Connect (OSTI)

    Balaji, V. Senthilkumaran, S. Thangadurai, P.

    2014-04-24

    To quantify the structural phases of nanocrystalline ZrO{sub 2} doped with Mg ions of varying concentrations (3, 5, 10, 15 and 20%) and annealed at different temperatures. Magnesia doped zirconia was prepared by chemical co-precipitation method and annealed up to 1000C. The monoclinic and tetragonal phases present in Mg:ZrO{sub 2} were quantified using Rietveld refinement analysis of the X-ray diffraction data and compared with the Direct method based on peak intensity calculations. Tetragonal phase was dominant in the 600C annealed Mg:ZrO{sub 2} for all Mg concentrations.

  15. Pygmy dipole resonance and dipole polarizability in {sup 90}Zr

    SciTech Connect (OSTI)

    Iwamoto, C.; Tamii, A.; Shima, T.; Hashimoto, T.; Suzuki, T.; Fujita, H.; Hatanaka, K.; Utsunomiya, H.; Akimune, H.; Yamagata, T.; Okamoto, A.; Kondo, T.; Nakada, H.; Kawabata, T.; Fujita, Y.; Matsubara, H.; Shimbara, Y.; Nagashima, M.; Sakuda, M.; Mori, T.; and others

    2014-05-02

    Electric dipole (E1) reduced transition probability B(E1) of {sup 90}Zr was obtained by the inelastic proton scattering near 0 degrees using a 295 MeV proton beam and multipole decomposition analysis of the angular distribution by the distorted-wave Born approximation with the Hartree-Fock plus random-phase approximation model and inclusion of El Coulomb excitation, and the E1 strength of the pygmy dipole resonance was found in the vicinity of the neutron threshold in the low-energy tail of the giant dipole resonance. Using the data, we plan to determine the precise dipole polarizability ?{sub D} which is defined as an inversely energy-weighted sum value of the elecrric dipole strength. The dipole polarizability is expected to constrain the symmetry energy term of the neutron matter equation of state. Thus systematical measurement of the dipole polarizability is important.

  16. Current-induced spin-orbit torque switching of perpendicularly magnetized Hf|CoFeB|MgO and Hf|CoFeB|TaO{sub x} structures

    SciTech Connect (OSTI)

    Akyol, Mustafa; Yu, Guoqiang; Alzate, Juan G.; Upadhyaya, Pramey; Li, Xiang; Wong, Kin L.; Khalili Amiri, Pedram; Wang, Kang L.; Ekicibil, Ahmet

    2015-04-20

    We study the effect of the oxide layer on current-induced perpendicular magnetization switching properties in Hf|CoFeB|MgO and Hf|CoFeB|TaO{sub x} tri-layers. The studied structures exhibit broken in-plane inversion symmetry due to a wedged CoFeB layer, resulting in a field-like spin-orbit torque (SOT), which can be quantified by a perpendicular (out-of-plane) effective magnetic field. A clear difference in the magnitude of this effective magnetic field (H{sub z}{sup FL}) was observed between these two structures. In particular, while the current-driven deterministic perpendicular magnetic switching was observed at zero magnetic bias field in Hf|CoFeB|MgO, an external magnetic field is necessary to switch the CoFeB layer deterministically in Hf|CoFeB|TaO{sub x}. Based on the experimental results, the SOT magnitude (H{sub z}{sup FL} per current density) in Hf|CoFeB|MgO (?14.12?Oe/10{sup 7} A cm{sup ?2}) was found to be almost 13 larger than that in Hf|CoFeB|TaO{sub x} (?1.05?Oe/10{sup 7} A cm{sup ?2}). The CoFeB thickness dependence of the magnetic switching behavior, and the resulting ?H{sub z}{sup FL} generated by in-plane currents are also investigated in this work.

  17. Local elastic modulus of RF sputtered HfO{sub 2} thin film by atomic force acoustic microscopy

    SciTech Connect (OSTI)

    Jena, S. Tokas, R. B. Sarkar, P. Thakur, S.; Sahoo, N. K.; Misal, J. S.; Rao, K. D.

    2014-04-24

    Atomic force acoustic microscopy (AFAM) is a useful nondestructive technique for measurement of local elastic modulus of materials at nano-scale spatial resolution by measuring the contact resonance spectra for higher order modes of the AFM cantilever. The elastic modulus of RF sputtered HfO{sub 2} thin film has been measured quantitatively, using reference approach in which measurements are performed on the test and reference samples. Using AFAM, the measured elastic modulus of the HfO{sub 2} thin film is 22327 GPa, which is in agreement with the literature value of 22040 GPa for atomic layer deposited HfO{sub 2} thin film using nanoindentation technique.

  18. Spin differences in the Zr 90 compound nucleus induced by ( p , p ' ) , (

    Office of Scientific and Technical Information (OSTI)

    p , d ) , and ( p , t ) surrogate reactions (Journal Article) | SciTech Connect Spin differences in the Zr 90 compound nucleus induced by ( p , p ' ) , ( p , d ) , and ( p , t ) surrogate reactions Citation Details In-Document Search This content will become publicly available on November 3, 2016 Title: Spin differences in the Zr 90 compound nucleus induced by ( p , p ' ) , ( p , d ) , and ( p , t ) surrogate reactions Authors: Ota, S. ; Burke, J. T. ; Casperson, R. J. ; Escher, J. E. ;

  19. The kinetics of the [omega] to [alpha] phase transformation in Zr, Ti:

    Office of Scientific and Technical Information (OSTI)

    Analysis of data from shock-recovered samples and atomistic simulations (Journal Article) | SciTech Connect The kinetics of the [omega] to [alpha] phase transformation in Zr, Ti: Analysis of data from shock-recovered samples and atomistic simulations Citation Details In-Document Search Title: The kinetics of the [omega] to [alpha] phase transformation in Zr, Ti: Analysis of data from shock-recovered samples and atomistic simulations Authors: Zong, Hongxiang ; Lookman, Turab ; Ding, Xiangdong

  20. Evolution of ordered {omega} phases in (Zr{sub 3}Al)-Nb alloys

    SciTech Connect (OSTI)

    Tewari, R.; Mukhopadhyay, P.; Banerjee, S.; Bendersky, L.A.

    1999-03-10

    Microstructural investigations on rapidly solidified Zr{sub 3}Al based alloys (binary Zr{sub 3}Al and ternary Zr{sub 3}Al-3Nb and Zr{sub 3}Al-10Nb) have revealed some unusual phase transformation sequences. The Zr{sub 5}Al{sub 3} phase (D8{sub 8} structure) has been found to occur in both the rapidly solidified ternary alloys unlike in the rapidly solidified stoichiometric Zr{sub 3}Al alloy in which the ZrAl phase (B8{sub 2} structure) has been found to be present. The evolution of the D8{sub 8} phase, which could be regarded as one of the ordered derivatives of the {omega} phase, could be described in terms of a superimposition of replacive and displacive ordering waves in the {beta} phase. The orientation relationship between the {beta} and the D8{sub 8} phases has been established. The microstructural changes occurring in the rapidly solidified Zr{sub 3}Al-Nb alloys during aging have been examined. It has been found that on aging the D8{sub 8} phase gets transformed into the B8{sub 2} phase which, on continued aging, transforms to other metastable and equilibrium phases, depending upon the aging temperature. The observed sequence of phase transformations involving different structurally related phases has been along the direction of progressively close packed structures. The symmetry changes associated with the sequence of {omega} related transformations have been summarized in the form of a symmetry tree.

  1. The role of the Ganges-Brahmaputra mixing zone in supplying barium and [sup 226]Ra to the Bay of Bengal

    SciTech Connect (OSTI)

    Carroll, J. Univ. of Alaska, Fairbanks ); Falkner, K.K. CNES, Toulouse ); Brown, E.T. ); Moore, W.S. )

    1993-07-01

    The Ganges-Brahmaputra river system is ranked fourth among world rivers as a source of freshwater to the oceans and is believed to supply more sediment to the ocean than any other; 1.5 [times] 10[sup 12] kg/yr (Milliman and Meade, 1983). Barium and [sup 226]Ra are typically enriched in waters where sediment-laden rivers enter the ocean. As such, the Ganges-Brahmaputra is likely to produce globally significant barium and [sup 226]Ra fluxes to the ocean. Water samples for barium and [sup 226]Ra were collected within four major channels of the Ganges-Brahmaputra mixing zone during a period of low sediment and freshwater discharge. The data suggest that in addition to suspended sediments supplied directly from rivers, river sediments deposited during high discharge in mangroves and on islands are desorbing barium and [sup 226]Ra to seawater. The release of barium and [sup 226]Ra from these sediment deposits is out-of-phase with the direct supply of sediments from the rivers. Estimates of the annual fluxes of barium and [sup 226]Ra from the Ganges-Brahmaputra mixing zone were also derived. The fluxes of barium and [sup 226]Ra are 5.3 [times] 10[sup 8] mol barium/yr and 9.5 [times] 10[sub 14] dpm radium/yr. The first silicate and phosphate mixing profiles for this system are reported. 29 refs., 6 figs., 3 tabs.

  2. The Concentrations of {sup 40}K, {sup 226}Ra and {sup 232}Th in Soil Sample in Osmaniye (Turkey)

    SciTech Connect (OSTI)

    Akkurt, I.; Guenoglu, K.; Kara, A.; Mavi, B.; Karaboerklue, S.

    2011-12-26

    The {sup 40}K, {sup 226}Ra and {sup 232}Th concentration is due to the magmatic structure of the earth and it can be varied from place to place. Osmaniye is located in the Eastern side of Mediteranean Region. It holds the climatic characteristics of the same region and arises with Middle Taurus Mountains from west to North and with Amonos Mounations in East and West-east parts and is situated between 35 deg. .52'-36 deg. .42' east longitudes and 36 deg. .57'-37 deg. .45' north latitudes. In this study, the natural radioactivity concentrations {sup 40}K, {sup 226}Ra and {sup 232}Th in some soil samples collected in Osmaniye have been investigated. The measurements have been performed using 3x3{sup ''} NaI(Tl) detector system.

  3. In situ HVEM studies of phase transformation in Zr alloys and compounds under irradiation

    SciTech Connect (OSTI)

    Motta, A.T.; Faldowski, J.A.; Howe, L.M.; Okamoto, P.R.

    1996-01-01

    The High Voltage Electron Microscope (HVEM)/Tandem facility at Argonne National Laboratory has been used to conduct detailed studies of the phase stability and microstructural evolution in zirconium alloys and compounds under ion and electron irradiation. Detailed kinetic studies of the crystalline-to-amorphous transformation of the intermetallic compounds Zr{sub 3}(Fe{sub 1-x}Ni{sub x}), Zr(Fe{sub 1-x},Cr{sub x}){sub 2}, Zr{sub 3}Fe, and Zr{sub 1.5} Nb{sub 1.5} Fe, both as second phase precipitates and in bulk form, have been performed using the in-situ capabilities of the Argonne facility, under a variety of irradiation conditions (temperature, dose rate). Results include a verification of a dose rate effect on amorphization and the influence of material variables (stoichiometry x, presence of stacking faults, crystal structure) on the critical temperature and on the critical dose for amorphization. Studies were also conducted of the microstructural evolution under irradiation of specially tailored binary and ternary model alloys. The stability of the {omega}-phase in Zr-20%Nb under electron and Ar ion irradiation was investigated as well as the {beta}-phase precipitation in Zr-2.5%Nb under Ar ion irradiation. The ensemble of these results is discussed in terms of theoretical models of amorphization and of irradiation-altered solubility.

  4. Development of a new casting method to fabricate UZr alloy containing minor actinides

    SciTech Connect (OSTI)

    Jong Hwan Kim; Hoon Song; Hyung Tae Kim; Ki Hwan Kim; Chan Bock Lee; R. S. Fielding

    2014-01-01

    Metal fuel slugs of UZr alloys for a sodium-cooled fast reactor (SFR) have conventionally been fabricated using an injection casting method. However, casting alloys containing volatile radioactive constituents, such as Am, are problematic in a conventional injection casting method. As an alternative fabrication method, low pressure gravity casting has been developed. Casting soundness, microstructural characteristics, alloying composition, density, and fuel losses were evaluated for the following as-cast fuel slugs: U10 wt% Zr, U10 wt% Zr5 wt% RE, and U10 wt% Zr5 wt% RE5 wt% Mn. The U and Zr contents were uniform throughout the matrix, and impurities such as oxyen, carbon, and nitrogen satisfied the specification of total impurities less than 2,000 ppm. The appearance of the fuel slugs was generally sound, and the internal integrity was shown to be satisfactory based on gamma-ray radiography. In a volatile surrogate casting test, the UZrREMn fuel slug showed that nearly all of the manganese was retained when casting was done under an inert atmosphere.

  5. Theoretical calculation of the melting curve of Cu-Zr binary alloys

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

    Gunawardana, K. G.S.H.; Wilson, S. R.; Mendelev, M. I.; Song, Xueyu

    2014-11-14

    Helmholtz free energies of the dominant binary crystalline solids found in the Cu-Zr system at high temperatures close to the melting curve are calculated. This theoretical approach combines fundamental measure density functional theory (applied to the hard-sphere reference system) and a perturbative approach to include the attractive interactions. The studied crystalline solids are Cu(fcc), Cu51Zr14(β), CuZr(B2), CuZr2(C11b), Zr(hcp), and Zr(bcc). The calculated Helmholtz free energies of crystalline solids are in good agreement with results from molecular-dynamics (MD) simulations. Using the same perturbation approach, the liquid phase free energies are calculated as a function of composition and temperature, from which themore » melting curve of the entire composition range of this system can be obtained. Phase diagrams are determined in this way for two leading embedded atom method potentials, and the results are compared with experimental data. Furthermore, theoretical melting temperatures are compared both with experimental values and with values obtained directly from MD simulations at several compositions.« less

  6. Theoretical calculation of the melting curve of Cu-Zr binary alloys

    SciTech Connect (OSTI)

    Gunawardana, K. G.S.H.; Wilson, S. R.; Mendelev, M. I.; Song, Xueyu

    2014-11-14

    Helmholtz free energies of the dominant binary crystalline solids found in the Cu-Zr system at high temperatures close to the melting curve are calculated. This theoretical approach combines fundamental measure density functional theory (applied to the hard-sphere reference system) and a perturbative approach to include the attractive interactions. The studied crystalline solids are Cu(fcc), Cu51Zr14(β), CuZr(B2), CuZr2(C11b), Zr(hcp), and Zr(bcc). The calculated Helmholtz free energies of crystalline solids are in good agreement with results from molecular-dynamics (MD) simulations. Using the same perturbation approach, the liquid phase free energies are calculated as a function of composition and temperature, from which the melting curve of the entire composition range of this system can be obtained. Phase diagrams are determined in this way for two leading embedded atom method potentials, and the results are compared with experimental data. Furthermore, theoretical melting temperatures are compared both with experimental values and with values obtained directly from MD simulations at several compositions.

  7. Costs Incurred by Selected Tribal Energy Efficiency and Conservation Block Grant Recipients, OAS-RA-13-28

    Energy Savers [EERE]

    Costs Incurred by Selected Tribal Energy Efficiency and Conservation Block Grant Recipients OAS-RA-13-28 July 2013 Department of Energy Washington, DC 20585 July 18, 2013 MEMORANDUM FOR THE ASSISTANT SECRETARY FOR ENERGY EFFICIENCY AND RENEWABLE ENERGY FROM: Rickey R. Hass Deputy Inspector General for Audits and Inspections Office of Inspector General SUBJECT: INFORMATION: Audit Report on "Costs Incurred by Selected Tribal Energy Efficiency and Conservation Block Grant Recipients"

  8. Audit Report - Implementation of the Department of Energy's Concentrating Solar Power Program, OAS-RA-L-13-01

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

    Implementation of the Department of Energy's Concentrating Solar Power Program OAS-RA-L-13-01 November 2012 Department of Energy Washington, DC 20585 November 1, 2012 MEMORANDUM FOR THE PROGRAM DIRECTOR, CONCENTRATING SOLAR POWER PROGRAM FROM: Daniel M. Weeber Assistant Inspector General for Audits and Administration Office of Inspector General SUBJECT: INFORMATION: Audit Report on "Implementation of the Department of Energy's Concentrating Solar Power Program" BACKGROUND The

  9. The State of Nevada's Implementation of the Energy Efficiency and Conservation Block Grant Program, OAS-RA-12-02

    Energy Savers [EERE]

    U.S. Department of Energy Office of Inspector General Office of Audits and Inspections Audit Report The State of Nevada's Implementation of the Energy Efficiency and Conservation Block Grant Program OAS-RA-12-02 November 2011 Department of Energy Washington, DC 20585 November 9, 2011 MEMORANDUM FOR THE ACTING ASSISTANT SECRETARY, ENERGY EFFICIENCY AND RENEWABLE ENERGY FROM: George W. Collard Assistant Inspector General for Audits Office of Inspector General SUBJECT: INFORMATION: Audit Report on

  10. The Status of Energy Efficiency and Conservation Block Grant Recipients' Obligations, OAS-RA-11-16

    Energy Savers [EERE]

    Management Alert The Status of Energy Efficiency and Conservation Block Grant Recipients' Obligations OAS-RA-11-16 September 2011 Department of Energy Washington, DC 20585 September 1, 2011 MEMORANDUM FOR THE SECRETARY FROM: Gregory H. Friedman Inspector General SUBJECT: INFORMATION: Management Alert on "The Status of Energy Efficiency and Conservation Block Grant Recipients' Obligations" IMMEDIATE CONCERN Because of the unprecedented level of funding provided under the American

  11. Special Inquiry on the Office of the Chief Financial Officer's Information Technology Expenditures, OAS-RA-L-12-01

    Energy Savers [EERE]

    Special Inquiry on the Office of the Chief Financial Officer's Information Technology Expenditures OAS-RA-L-12-01 November 2011 Department of Energy Washington, DC 20585 November 28, 2011 MEMORANDUM FOR THE DEPUTY SECRETARY FROM: Gregory H. Friedman Inspector General SUBJECT: INFORMATION: Special Report on "Inquiry on the Office of the Chief Financial Officer's Information Technology Expenditures" INTRODUCTION The Office of the Chief Financial Officer (OCFO) is responsible for ensuring

  12. Audit Report: Modular Office Facilities for Recovery Act Program Activities at the Hanford Site, OAS-RA-13-04

    Energy Savers [EERE]

    U.S. Department of Energy Office of Inspector General Office of Audits and Inspections Audit Report Modular Office Facilities for Recovery Act Program Activities at the Hanford Site OAS-RA-L-13-04 July 2013 Department of Energy Washington, DC 20585 July 9, 2013 MEMORANDUM FOR THE MANAGER, RICHLAND OPERATIONS OFFICE FROM: David Sedillo, Director Western Audits Division Office of Inspector General SUBJECT: INFORMATION: Audit Report on "Modular Office Facilities for Recovery Act Program

  13. Los Alamos National Laboratory Environmental Management Activities Funded by the Recovery Act, OAS-RA-11-15

    Office of Environmental Management (EM)

    Los Alamos National Laboratory Environmental Management Activities Funded by the Recovery Act OAS-RA-11-15 August 2011 Department of Energy Washington, DC 20585 August 25, 2011 MEMORANDUM FOR THE MANAGER, LOS ALAMOS SITE OFFICE, NATIONAL NUCLEAR SECURITY ADMINISTRATION FROM: George W. Collard Assistant Inspector General for Audits SUBJECT: INFORMATION: Audit Report on "Los Alamos National Laboratory Environmental Management Activities Funded by the Recovery Act" BACKGROUND In February

  14. Waste Disposal and Recovery Act Efforts at the Oak Ridge Reservation,OAS-RA-L-12-01

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

    Inspection Report Waste Disposal and Recovery Act Efforts at the Oak Ridge Reservation INS-RA-L-12-01 December 2011 Department of Energy Washington, DC 20585 December 16, 2011 MEMORANDUM FOR THE MANAGER, OAK RIDGE OFFICE FROM: Sandra D. Bruce Assistant Inspector General for Inspections Office of Inspector General SUBJECT: INFORMATION: Inspection Report on "Waste Disposal and Recovery Act Efforts at the Oak Ridge Reservation" BACKGROUND The Department of Energy's (Department) expends

  15. Infrared study on room-temperature atomic layer deposition of HfO{sub 2} using tetrakis(ethylmethylamino)hafnium and remote plasma-excited oxidizing agents

    SciTech Connect (OSTI)

    Kanomata, Kensaku [Graduate School of Science and Engineering, Yamagata University, 4-3-16 Jonan, Yonezawa 992-8510, Japan and Japan Society for the Promotion of Science, 5-3-1 Kojimachi, Chiyoda-ku, Tokyo 102-0083 (Japan); Ohba, Hisashi; Pungboon Pansila, P.; Ahmmad, Bashir; Kubota, Shigeru; Hirahara, Kazuhiro; Hirose, Fumihiko, E-mail: fhirose@yz.yamagata-u.ac.jp [Graduate School of Science and Engineering, Yamagata University, 4-3-16 Jonan, Yonezawa 992-8510 (Japan)

    2015-01-01

    Room-temperature atomic layer deposition (ALD) of HfO{sub 2} was examined using tetrakis (ethylmethylamino)hafnium (TEMAH) and remote plasma-excited water and oxygen. A growth rate of 0.26?nm/cycle at room temperature was achieved, and the TEMAH adsorption and its oxidization on HfO{sub 2} were investigated by multiple internal reflection infrared absorption spectroscopy. It was observed that saturated adsorption of TEMAH occurs at exposures of ?1??10{sup 5}?L (1 L?=?1??10{sup ?6} Torr s) at room temperature, and the use of remote plasma-excited water and oxygen vapor is effective in oxidizing the TEMAH molecules on the HfO{sub 2} surface, to produce OH sites. The infrared study suggested that HfOH plays a role as an adsorption site for TEMAH. The reaction mechanism of room temperature HfO{sub 2} ALD is discussed in this paper.

  16. Observation of the chiral magnetic effect in ZrTe₅

    SciTech Connect (OSTI)

    Li, Qiang; Kharzeev, Dmitri E.; Zhang, Cheng; Huang, Yuan; Pletikosic, I.; Fedorov, A. V.; Zhong, R. D.; Schneeloch, J. A; Gu, G. D.; Valla, T.

    2015-02-08

    The chiral magnetic effect is the generation of electric current induced by chirality imbalance in the presence of magnetic field. It is a macroscopic manifestation of the quantum anomaly in relativistic field theory of chiral fermions (massless spin 1/2 particles with a definite projection of spin on momentum) – a dramatic phenomenon arising from a collective motion of particles and antiparticles in the Dirac sea. The recent discovery of Dirac semimetals with chiral quasi-particles opens a fascinating possibility to study this phenomenon in condensed matter experiments. Here we report on the first observation of chiral magnetic effect through the measurement of magneto-transport in zirconium pentatelluride, ZrTe₅. Our angle-resolved photoemission spectroscopy experiments show that this material’s electronic structure is consistent with a 3D Dirac semimetal. We observe a large negative magnetoresistance when magnetic field is parallel with the current. The measured quadratic field dependence of the magnetoconductance is a clear indication of the chiral magnetic effect. The observed phenomenon stems from the effective transmutation of Dirac semimetal into a Weyl semimetal induced by the parallel electric and magnetic fields that represent a topologically nontrivial gauge field background.

  17. Observation of the chiral magnetic effect in ZrTe₅

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

    Li, Qiang; Kharzeev, Dmitri E.; Zhang, Cheng; Huang, Yuan; Pletikosic, I.; Fedorov, A. V.; Zhong, R. D.; Schneeloch, J. A; Gu, G. D.; Valla, T.

    2015-02-08

    The chiral magnetic effect is the generation of electric current induced by chirality imbalance in the presence of magnetic field. It is a macroscopic manifestation of the quantum anomaly in relativistic field theory of chiral fermions (massless spin 1/2 particles with a definite projection of spin on momentum) – a dramatic phenomenon arising from a collective motion of particles and antiparticles in the Dirac sea. The recent discovery of Dirac semimetals with chiral quasi-particles opens a fascinating possibility to study this phenomenon in condensed matter experiments. Here we report on the first observation of chiral magnetic effect through the measurementmore » of magneto-transport in zirconium pentatelluride, ZrTe₅. Our angle-resolved photoemission spectroscopy experiments show that this material’s electronic structure is consistent with a 3D Dirac semimetal. We observe a large negative magnetoresistance when magnetic field is parallel with the current. The measured quadratic field dependence of the magnetoconductance is a clear indication of the chiral magnetic effect. The observed phenomenon stems from the effective transmutation of Dirac semimetal into a Weyl semimetal induced by the parallel electric and magnetic fields that represent a topologically nontrivial gauge field background.« less

  18. High thermal stability of La2O3 and CeO2-stabilized tetragonal ZrO2

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

    Wang, Shichao; Xie, Hong; Lin, Yuyuan; Poeppelmeier, Kenneth R.; Li, Tao; Winans, Randall E.; Cui, Yanran; Ribeiro, Fabio H.; Canlas, Christian P.; Elam, Jeffrey W.; et al

    2016-02-15

    Catalyst support materials of tetragonal ZrO2, stabilized by either La2O3 (La2O3-ZrO2) or CeO2 (CeO2-ZrO2), were synthesized under hydrothermal conditions at 200 °C with NH4OH or tetramethylammonium hydroxide as the mineralizer. From In Situ synchrotron powder X-ray diffraction and small-angle X-ray scattering measurements, the calcined La2O3-ZrO2 and CeO2-ZrO2 supports were nonporous nanocrystallites that exhibited rectangular shapes with thermal stability up to 1000 °C in air. These supports had an average size of ~10 nm and a surface area of 59-97 m2/g. The catalysts Pt/La2O3-ZrO2 and Pt/CeO2-ZrO2 were prepared by using atomic layer deposition with varying Pt loadings from 6.3-12.4 wt %.more » Mono-dispersed Pt nanoparticles of ~3 nm were obtained for these catalysts. As a result, the incorporation of La2O3 and CeO2 into the t-ZrO2 structure did not affect the nature of the active sites for the Pt/ZrO2 catalysts for the water-gas-shift (WGS) reaction.« less

  19. Special features of the isospin splitting of the giant dipole resonance in the {sup 90}Zr nucleus

    SciTech Connect (OSTI)

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

    2009-02-15

    Data on the proton and neutron channels of the {sup 90}Zr photodisintegration were analyzed in detail, basic parameters of the isospin splitting of the giant dipole resonance in {sup 90}Zr being determined by the properties of these channels. New data concerning the cross sections for the partial photoneutron reactions {sup 90}Zr({gamma}, n){sup 89}Zr and {sup 90}Zr({gamma}, 2n){sup 88}Zr and resulting from a simultaneous correction of data from experiments performed in Livermore (USA) and Saclay (France) by using beams of quasimonoenergetic annihilation photons were invoked. Use was made of information about the positions on the energy scale of states characterized by different isospin values in the {sup 90}Zr nucleus and nuclei neighboring it, which are members of the respective isospin multiplet. New data on the parameters of the isospin splitting of the giant dipole resonance in the {sup 90}Zr nucleus were obtained on the basis of a global analysis of data on the giant-dipole-resonance states of the {sup 90}Zr nucleus, which are manifested in the respective photoneutron and photoproton cross sections and in their decay channels involving states of different isospin in neighboring nuclei.

  20. Determination of the direct double- β -decay Q value of Zr 96 and atomic masses of Zr 90 - 92 , 94 , 96 and Mo 92 , 94 - 98 , 100

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

    Gulyuz, K.; Ariche, J.; Bollen, G.; Bustabad, S.; Eibach, M.; Izzo, C.; Novario, S. J.; Redshaw, M.; Ringle, R.; Sandler, R.; et al

    2015-05-06

    Experimental searches for neutrinoless double-β decay offer one of the best opportunities to look for physics beyond the standard model. Detecting this decay would confirm the Majorana nature of the neutrino, and a measurement of its half-life can be used to determine the absolute neutrino mass scale. Important to both tasks is an accurate knowledge of the Q value of the double-β decay. The LEBIT Penning trap mass spectrometer was used for the first direct experimental determination of the ⁹⁶Zr double-β decay Q value: Qββ=3355.85(15) keV. This value is nearly 7 keV larger than the 2012 Atomic Mass Evaluation [M.more » Wang et al., Chin. Phys. C 36, 1603 (2012)] value and one order of magnitude more precise. The 3-σ shift is primarily due to a more accurate measurement of the ⁹⁶Zr atomic mass: m(⁹⁶Zr)=95.90827735(17) u. Using the new Q value, the 2νββ-decay matrix element, |M2ν|, is calculated. Improved determinations of the atomic masses of all other zirconium (90-92,94,96Zr) and molybdenum (92,94-98,100Mo) isotopes using both ¹²C₈ and ⁸⁷Rb as references are also reported.« less

  1. Bio-corrosion and cytotoxicity studies on novel Zr55Co30Ti15 and Cu60Zr20Ti20 metallic glasses

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

    Vincent, S.; Daiwile, A.; Devi, S. S.; Kramer, M. J.; Besser, M. F.; Murty, B. S.; Bhatt, Jatin

    2014-09-26

    Metallic glasses are a potential and compatible implant candidate for biomedical applications. In the present investigation, a comparative study between novel Zr55Co30Ti15 and Cu60Zr20Ti20 metallic glasses is carried out to evaluate in vitro biocompatibility using simulated body fluids. The bio-corrosion behavior of Zr- and Cu-based metallic glasses in different types of artificial body fluids such as artificial saliva solution, phosphate-buffered saline solution, artificial blood plasma solution, and Hank’s balanced saline solution is evaluated using potentiodynamic polarization studies at a constant body temperature of 310.15 K (37 °C). Surface morphology of samples after bio-corrosion experiments was observed by scanning electron microscopy.more » In vitro cytotoxicity test on glassy alloys were performed using human osteosarcoma cell line as per 10993-5 guidelines from International Organization for Standardization. As a result, the comparative study between Zr- and Cu-based glassy alloys provides vital information about the effect of elemental composition on biocompatibility of metallic glasses.« less

  2. The effects of zirconia morphology on methanol synthesis from COand H2 over Cu/ZrO2 catalysts: Part I -- Steady-State Studies

    SciTech Connect (OSTI)

    Rhodes, Michael J.; Bell, Alexis T.

    2005-03-21

    The effect of zirconia phase on the activity and selectivityof Cu/ZrO2 for the hydrogenation of CO has been investigated. Relativelypure t-ZrO2 and m-ZrO2 were prepared with high surface areas (~; 145m2/g). Copper was then deposited onto the surface of these materials byeither incipient-wetness impregnation or deposition-precipitation. For afixed Cu surface area, Cu/m-ZrO2 was tenfold more active for methanolsynthesis than Cu/t-ZrO2 from a feed of 3/1 H2/CO at 3.0 MPa andtemperatures between 473 and 523 K. Cu/m-ZrO2 also exhibited a higherselectivity to methanol. Increasing the Cu surface area on m-ZrO2resulted in further improvement in activity with minimal change inselectivity. Methanol productivity increased linearly for both Cu/t-ZrO2and Cu/m-ZrO2 with increasing Cu surface area. The difference in inherentactivity of each phase paralleled the stronger and larger CO adsorptioncapacity of the Cu/m-ZrO2 as quantified by CO-TPD. The higher COadsorption capacity of Cu/m-ZrO2 is attributed to the presence of a highconcentration of anionic vacancies on the surface of m-ZrO2. Suchvacancies expose cus-Zr4+ cations, which act as Lewis acid centers andenhance the Bronsted acidity of adjacent Zr-OH groups. The presence ofcus-Zr4+ sites and adjacent Bronsted acidic Zr-OH groups contributes tothe adsorption of CO as HCOO-Zr groups, which are the initial precursorsto methanol.

  3. Melting temperatures of the ZrO{sub 2}-MOX system

    SciTech Connect (OSTI)

    Uchida, T.; Hirooka, S.; Kato, M.; Morimoto, K.; Sugata, H.; Shibata, K.; Sato, D.

    2013-07-01

    Severe accidents occurred at the Fukushima Daiichi Nuclear Power Plant Units 1-3 on March 11, 2011. MOX fuels were loaded in the Unit 3. For the thermal analysis of the severe accident, melting temperature and phase state of MOX corium were investigated. The simulated coriums were prepared from 4%Pu-containing MOX, 8%Pu-containing MOX and ZrO{sub 2}. Then X-ray diffraction, density and melting temperature measurements were carried out as a function of zirconium and plutonium contents. The cubic phase was observed in the 25%Zr-containing corium and the tetragonal phase was observed in the 50% and 75%Zr-containing coria. The lattice parameter and density monotonically changed with Pu content. Melting temperature increased with increasing Pu content; melting temperature were estimated to be 2932 K for 4%Pu MOX corium and 3012 K for 8%Pu MOX corium in the 25%ZrO{sub 2}-MOX system. The lowest melting temperature was observed for 50%Zr-containing corium. (authors)

  4. Transfer couplings and hindrance far below the barrier for 40 Ca + 96 Zr

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

    Stefanini, A. M.; Montagnoli, G.; Esbensen, H.; Corradi, L.; Courtin, S.; Fioretto, E.; Goasduff, A.; Grebosz, J.; Haas, F.; Mazzocco, M.; et al

    2015-01-29

    The sub-barrier fusion excitation function of 40Ca + 96Zr has been measured down to cross sections ≃2.4µb, i.e. two orders of magnitude smaller than obtained in the previous experiment, where the sub-barrier fusion of this system was found to be greatly enhanced with respect to 40Ca + 90Zr, and the need of coupling to transfer channels was suggested. The purpose of this work was to investigate the behavior of 40Ca + 96Zr fusion far below the barrier. The smooth trend of the excitation function has been found to continue, and the logarithmic slope increases very slowly. No indication of hindrancemore » shows up, and a comparison with 48Ca + 96Zr is very useful in this respect. A new CC analysis of the complete excitation function has been performed, including explicitly one- and two-nucleon Q >0 transfer channels. Such transfer couplings bring significant cross section enhancements, even at the level of a few µb. Locating the hindrance threshold, if any, in 40Ca + 96Zr would require challenging measurements of cross sections in the sub-µb range.« less

  5. Total ionizing dose effect of ?-ray radiation on the switching characteristics and filament stability of HfOx resistive random access memory

    SciTech Connect (OSTI)

    Fang, Runchen; Yu, Shimeng; Gonzalez Velo, Yago; Chen, Wenhao; Holbert, Keith E.; Kozicki, Michael N.; Barnaby, Hugh

    2014-05-05

    The total ionizing dose (TID) effect of gamma-ray (?-ray) irradiation on HfOx based resistive random access memory was investigated by electrical and material characterizations. The memory states can sustain TID level ?5.2 Mrad (HfO{sub 2}) without significant change in the functionality or the switching characteristics under pulse cycling. However, the stability of the filament is weakened after irradiation as memory states are more vulnerable to flipping under the electrical stress. X-ray photoelectron spectroscopy was performed to ascertain the physical mechanism of the stability degradation, which is attributed to the Hf-O bond breaking by the high-energy ?-ray exposure.

  6. Effect of the oxide layer on current-induced spin-orbit torques in Hf|CoFeB|MgO and Hf|CoFeB|TaO{sub x} structures

    SciTech Connect (OSTI)

    Akyol, Mustafa; Alzate, Juan G.; Yu, Guoqiang; Upadhyaya, Pramey; Wong, Kin L.; Khalili Amiri, Pedram; Wang, Kang L.; Ekicibil, Ahmet

    2015-01-19

    We study the effect of the oxide layer on the current-induced spin-orbit torques (SOTs) in perpendicularly magnetized Hf|CoFeB|MgO (MgO-capped) or Hf|CoFeB|TaO{sub x} (TaO{sub x}-capped) structures. The effective fields corresponding to both the field-like and damping-like current-induced SOTs are characterized using electric transport measurements. Both torques are found to be significantly stronger in MgO-capped structures than those in TaO{sub x}-capped structures. The difference in field-like and damping-like SOTs in the different structures may be attributed to the different Rashba-like Hamiltonian, arising from the difference in the electric potential profiles across the oxide|ferromagnet interfaces in the two cases, as well as possible structural and oxidation differences in the underlying CoFeB and Hf layers. Our results show that the oxide layer in heavy-metal|ferromagnet|oxide trilayer structures has a very significant effect on the generated SOTs for manipulation of ferromagnetic layers. These findings could potentially be used to engineer SOT devices with enhanced current-induced switching efficiency.

  7. Morphology and chemical termination of HF-etched Si{sub 3}N{sub 4} surfaces

    SciTech Connect (OSTI)

    Liu, Li-Hong; Debenedetti, William J. I.; Peixoto, Tatiana; Gokalp, Sumeyra; Shafiq, Natis; Veyan, Jean-François; Chabal, Yves J.; Michalak, David J.; Hourani, Rami

    2014-12-29

    Several reports on the chemical termination of silicon nitride films after HF etching, an important process in the microelectronics industry, are inconsistent claiming N-H{sub x}, Si-H, or fluorine termination. An investigation combining infrared and x-ray photoelectron spectroscopies with atomic force and scanning electron microscopy imaging reveals that under some processing conditions, salt microcrystals are formed and stabilized on the surface, resulting from products of Si{sub 3}N{sub 4} etching. Rinsing in deionized water immediately after HF etching for at least 30 s avoids such deposition and yields a smooth surface without evidence of Si-H termination. Instead, fluorine and oxygen are found to terminate a sizeable fraction of the surface in the form of Si-F and possibly Si-OH bonds. The relatively unique fluorine termination is remarkably stable in both air and water and could lead to further chemical functionalization pathways.

  8. Development of a Thermal Transport Database for Air Plasma Sprayed ZrO2 ?

    Office of Scientific and Technical Information (OSTI)

    Y2O3 Thermal Barrier Coatings (Journal Article) | SciTech Connect Journal Article: Development of a Thermal Transport Database for Air Plasma Sprayed ZrO2 ? Y2O3 Thermal Barrier Coatings Citation Details In-Document Search Title: Development of a Thermal Transport Database for Air Plasma Sprayed ZrO2 ? Y2O3 Thermal Barrier Coatings Thermal Diffusivities of Air Plasma Sprayed (APS) thermal barrier coatings (TBCs) are measured by the laser flash method. The data are used to calculate thermal

  9. ELECTRON CORRELATION AND RELATIVITY OF THE 5F ELECTRONS IN THE U-ZR ALLOY

    Office of Scientific and Technical Information (OSTI)

    SYSTEM (Journal Article) | SciTech Connect Journal Article: ELECTRON CORRELATION AND RELATIVITY OF THE 5F ELECTRONS IN THE U-ZR ALLOY SYSTEM Citation Details In-Document Search Title: ELECTRON CORRELATION AND RELATIVITY OF THE 5F ELECTRONS IN THE U-ZR ALLOY SYSTEM Authors: Soderlind, P ; Sadigh, B ; Lordi, V ; Landa, A ; Turchi, P Publication Date: 2013-08-20 OSTI Identifier: 1116980 Report Number(s): LLNL-JRNL-642915 DOE Contract Number: W-7405-ENG-48 Resource Type: Journal Article Resource

  10. Assessment of Chemical Solution Synthesis and Properties of Gd2Zr2O7 Thin

    Office of Scientific and Technical Information (OSTI)

    Films as Buffer Layers for Second-Generation High-Temperature Superconductor Wires (Journal Article) | SciTech Connect Assessment of Chemical Solution Synthesis and Properties of Gd2Zr2O7 Thin Films as Buffer Layers for Second-Generation High-Temperature Superconductor Wires Citation Details In-Document Search Title: Assessment of Chemical Solution Synthesis and Properties of Gd2Zr2O7 Thin Films as Buffer Layers for Second-Generation High-Temperature Superconductor Wires No abstract

  11. Ab-initio study of high temperature lattice dynamics of BCC zirconium (?-Zr) and uranium (?-U)

    SciTech Connect (OSTI)

    Ghosh, Partha S. Arya, A. Dey, G. K.

    2014-04-24

    Using self consistent ab-initio lattice dynamics calculations, we show that bcc structures of Zr and U phases become stable at high temperature by phonon-phonon interactions. The calculated temperature dependent phonon dispersion curve (PDC) of ?-Zr match excellently with experimental PDC. But the calculated PDC for ?-U shows negative phonon frequencies even at solid to liquid transition temperature. We show that this discrepancy is due to an overestimation of instability depth of bcc U phase which is removed by incorporation of spin-orbit coupling in the electronic structure calculations.

  12. Obtaining composite Zr-Al-O coating on the surface of zirconium by microplasma oxidation

    SciTech Connect (OSTI)

    Gubaidulina, Tatiana A. E-mail: ostk@mail2000ru; Kuzmin, Oleg S. E-mail: ostk@mail2000ru; Fedorischva, Marina V. E-mail: kmp1980@mail.ru; Kalashnikov, Mark P. E-mail: kmp1980@mail.ru; Sergeev, Viktor P.

    2014-11-14

    The paper describes the application of the microplasma oxidation for production of Zr-Al-O composition on the surface of zirconium. Certification of a new-type power supply for depositing oxide ceramic coatings by microplasma oxidation was also carried out. The growth rate of Zr-Al-O coating amounted around 0.2 nm/s, which around 10 times exceeds that for depositing similar coatings using the similar equipment. We have studied the change of surface morphology and the chemical composition of the formed ceramic coating by means of EVO 50 scanning electron microscope and X-ray spectral analysis.

  13. Experiments and theory on parametric instabilities excited in HF heating experiments at HAARP

    SciTech Connect (OSTI)

    Kuo, Spencer; Snyder, Arnold; Lee, M. C.

    2014-06-15

    Parametric instabilities excited by O-mode HF heater and the induced ionospheric modification were explored via HAARP digisonde operated in a fast mode. The impact of excited Langmuir waves and upper hybrid waves on the ionosphere are manifested by bumps in the virtual spread, which expand the ionogram echoes upward as much as 140?km and the downward range spread of the sounding echoes, which exceeds 50?km over a significant frequency range. The theory of parametric instabilities is presented. The theory identifies the ionogram bump located between the 3.2?MHz heater frequency and the upper hybrid resonance frequency and the bump below the upper hybrid resonance frequency to be associated with the Langmuir and upper hybrid instabilities, respectively. The Langmuir bump is located close to the upper hybrid resonance frequency, rather than to the heater frequency, consistent with the theory. Each bump in the virtual height spread of the ionogram is similar to the cusp occurring in daytime ionograms at the E-F2 layer transition, indicating that there is a small ledge in the density profile similar to E-F2 layer transitions. The experimental results also show that the strong impact of the upper hybrid instability on the ionosphere can suppress the Langmuir instability.

  14. Am phases in the matrix of a UPuZr alloy with Np, Am, and rare-earth elements

    SciTech Connect (OSTI)

    Janney, Dawn E.; Kennedy, J. Rory; Madden, James W.; OHolleran, Thomas P.

    2015-01-01

    Phases and microstructures in the matrix of an as-cast U-Pu-Zr alloy with 3 wt% Am, 2% Np, and 8% rare-earth elements were characterized by scanning and transmission electron microscopy. The matrix consists primarily of two phases, both of which contain Am: ?-(U, Np, Pu, Am) (~70 at% U, 5% Np, 14% Pu, 1% Am, and 10% Zr) and ?-(U, Np, Pu, Am)Zr2 (~25% U, 2% Np, 10-15% Pu, 1-2% Am, and 55-60 at% Zr). These phases are similar to those in U-Pu-Zr alloys, although the Zr content in ?-(U, Np, Pu, Am) is higher than that in ?-(U, Pu) and the Zr content in ?-(U, Np, Pu, Am)Zr2 is lower than that in ?-UZr2. Nanocrystalline actinide oxides with structures similar to UO2 occurred in some areas, but may have formed by reactions with the atmosphere during sample handling. Planar features consisting of a central zone of ?-(U, Np, Pu, Am) bracketed by zones of ?-(U, Np, Pu, Am)Zr2 bound irregular polygons ranging in size from a few micrometers to a few tens of micrometers across. The rest of the matrix consists of elongated domains of ?-(U, Np, Pu, Am) and ?-(U, Np, Pu, Am)Zr2. Each of these domains is a few tens of nanometers across and a few hundred nanometers long. The domains display strong preferred orientations involving areas a few hundred nanometers to a few micrometers across.

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

    SciTech Connect (OSTI)

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

    2014-12-15

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

  16. The Isoscalar Giant Dipole Resonance in {sup 20}Pb, {sup 90}Zr and the Nuclear Compressibility

    SciTech Connect (OSTI)

    Yildirim, Serbulent; Koeroglu, Ulas

    2008-11-11

    The isoscalar giant dipol resonance (ISGDR) in finite nuclei is studied within the framework of a relativistic transport approach. The excitation energies of spherical {sup 90}Zr and {sup 208}Pb nuclei are obtained for different quantum hydrodynamical Lagrangian parametrization. The sensitivity of ISGDR excitation energy on the nuclear bulk to surface properties are also investigated.

  17. Zr doped anatase supported reticulated ceramic foams for photocatalytic water purification

    SciTech Connect (OSTI)

    Plesch, G.; Vargov, M.; Vogt, U.F.; Department of Crystallography, University of Freiburg, D-79104 Freiburg ; Gorbr, M.; Jesenk, K.

    2012-07-15

    Highlights: ? Thick photocatalytic anatase films on macroporous reticulated ceramic foams. ? Alumina and aluminamullite macroporous reticulated foams as photocatalyst support. ? Zr doping significantly improves the TiO{sub 2} film activity in phenol photomineralization. ? Comparison of photocatalytic activity of thick films and powder suspensions. -- Abstract: Titanium dioxide films were deposited on macroporous reticulated Al{sub 2}O{sub 3} and aluminamullite foams with pore sizes of 15 ppi (pores per inch). Coatings were prepared from suspensions of precursor powders of Aeroxide{sup } P25 nanopowder and precipitated TiO{sub 2} by using a dip coating process. The TiO{sub 2} forms films with a thickness of ?220 ?m. The photocatalytic activity was characterized as the mineralization rate of an aqueous phenol solution under UVA irradiation by the TOC technique. Precipitated TiO{sub 2} films have nearly the same photocatalytic activity as a titania suspension, in which powder aggregates have a size comparable with the thickness of the films. Samples made of Aeroxide{sup } P25 nanopowder, in which the size of aggregates is ?0.1 ?m show higher efficiency of photodecomposition in suspensions with films. The doping of precipitated anatase with Zr(IV) in the atomic ratio Zr/Ti = 0.008 significantly improves the photocatalytic activity of the foam supported titania. Zr doped anatase films show better performance as the films prepared only from Aeroxide{sup } P25 nanopowder.

  18. Developing 226Ra and 227Ac age-dating techniques for nuclear forensics to gain insight from concordant and non-concordant radiochronometers

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

    Kayzar, Theresa M.; Williams, Ross W.

    2015-09-26

    The model age or ‘date of purification’ of a nuclear material is an important nuclear forensic signature. In this study, chemical separation and MC-ICP-MS measurement techniques were developed for 226 Ra and 227Ac: grand-daughter nuclides in the 238U and 235U decay chains respectively. The 230Th-234U, 226Ra-238U, 231Pa-235U, and 227Ac-235U radiochronometers were used to calculate model ages for CRM-U100 standard reference material and two highly-enriched pieces of uranium metal from the International Technical Working Group Round Robin 3 Exercise. In conclusion, the results demonstrate the accuracy of the 226Ra-238U and 227Ac-235U chronometers and provide information about nuclide migration during uranium processing.

  19. The integration of Human Factors (HF) in the SAR process training course text

    SciTech Connect (OSTI)

    Ryan, T.G.

    1995-03-01

    This text provides the technical basis for a two-day course on human factors (HF), as applied to the Safety Analysis Report (SAR) process. The overall objective of this text and course is to: provide the participant with a working knowledge of human factors-related requirements, suggestions for doing a human safety analysis applying a graded approach, and an ability to demonstrate using the results of the human safety analysis, that human factors elements as defined by DOE (human factors engineering, procedures, training, oversight, staffing, qualifications), can support wherever necessary, nuclear safety commitments in the SAR. More specifically, the objectives of the text and course are: (1) To provide the SAR preparer with general guidelines for doing HE within the context of a graded approach for the SAR; (2) To sensitize DOE facility managers and staff, safety analysts and SAR preparers, independent reviewers, and DOE reviewers and regulators, to DOE Order 5480.23 requirements for HE in the SAR; (3) To provide managers, analysts, reviewers and regulators with a working knowledge of HE concepts and techniques within the context of a graded approach for the SAR, and (4) To provide SAR managers and DOE reviewers and regulators with general guidelines for monitoring and coordinating the work of preparers of HE inputs throughout the SAR process, and for making decisions regarding the safety relevance of HE inputs to the SAR. As a ready reference for implementing the human factors requirements of DOE Order 5480.22 and DOE Standard 3009-94, this course text and accompanying two-day course are intended for all persons who are involved in the SAR.

  20. Structural and spectroscopic properties of high temperature prepared ZrO₂–TiO₂ mixed oxides

    SciTech Connect (OSTI)

    Gionco, Chiara; Battiato, Alfio; Vittone, Ettore; Paganini, Maria Cristina; Giamello, Elio

    2013-05-01

    ZrO₂-TiO₂ mixed oxides of various composition, with the molar fraction of TiO₂ ranging from 0.1% to 15%, have been prepared via sol-gel synthesis and then calcined at 1273 K to check both their thermal stability and physicochemical properties. These solids are usually employed in photocatalytic processes and as active phase supports in heterogeneous catalysis. As indicated by X-ray diffraction and Raman spectroscopy, solid solutions based on Ti ions diluted in the ZrO₂ matrix are formed in the whole range of Ti molar fraction examined. Materials with low Ti loading (0.1%–1%) are basically constituted by the monoclinic phase of ZrO₂ while the tetragonal phase becomes prevalent at 15% of TiO₂ molar fraction. The presence of Ti ions modify the electronic structure of the solid as revealed by investigation of the optical properties. The typical band gap transition of ZrO₂ undergoes, in fact, a red shift roughly proportional to the Ti loading which reach the remarkable value of 1.6 eV for the sample with 10% of molar Ti concentration. Comparing chemical analysis of the solids with XPS data it has been put into evidence that the titanium ions distribution into the solid is not uniform and the concentration of Ti⁴⁺ tend to be higher in subsurface layers than in the crystal bulk. The introduction of titanium ions in the structure increases the reducibility of the solid. Annealing under vacuum at various temperatures causes oxygen depletion with consequent reduction of the solid which shows up mainly in terms of formation of Ti³⁺ reduced centres which are characterized by a typical EPR signal. Ti³⁺ defects forms, as also forecast by theoretical modelling of the solid, as their energy is lower than that of other possible reduced defective centers. The reduced solids are able to transfer electrons to adsorbed oxygen molecules in mild condition resulting in the formation of surface superoxide anions (O₂⁻) which are stabilized on surface Zr⁴⁺ or, alternatively, on Ti⁴⁺ ions according to the sample composition. - Graphical abstract: The presence of Ti in ZrO₂ modifies UV–vis and electronic properties of mixed oxides. Highlights: • ZrO₂–TiO₂ mixed oxides have been prepared via sol–gel synthesis. • Solids with low Ti loading are constituted by the monoclinic phase of ZrO₂. • The presence of Ti ions modify the electronic structure of the solid. • The introduction of titanium ions increases the reducibility of the solid.

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

    SciTech Connect (OSTI)

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

    2006-04-13

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

  2. Composition and grain size effects on the structural and mechanical properties of CuZr nanoglasses

    SciTech Connect (OSTI)

    Adibi, Sara [Institute of High Performance Computing, A*STAR, 138632 Singapore (Singapore); Mechanical Engineering Department, National University of Singapore, 117576 Singapore (Singapore); Branicio, Paulo S., E-mail: branicio@ihpc.a-star.edu.sg; Zhang, Yong-Wei [Institute of High Performance Computing, A*STAR, 138632 Singapore (Singapore); Joshi, Shailendra P., E-mail: Shailendra@nus.edu.sg [Mechanical Engineering Department, National University of Singapore, 117576 Singapore (Singapore)

    2014-07-28

    Nanoglasses (NGs), metallic glasses (MGs) with a nanoscale grain structure, have the potential to considerably increase the ductility of traditional MGs while retaining their outstanding mechanical properties. We investigated the effects of composition on the structural and mechanical properties of CuZr NG films with grain sizes between 3 to 15?nm using molecular dynamics simulations. Results indicate a transition from localized shear banding to homogeneous superplastic flow with decreasing grain size, although the critical average grain size depends on composition: 5?nm for Cu{sub 36}Zr{sub 64} and 3?nm for Cu{sub 64}Zr{sub 36}. The flow stress of the superplastic NG at different compositions follows the trend of the yield stress of the parent MG, i.e., Cu{sub 36}Zr{sub 64} yield/flow stress: 2.54?GPa/1.29?GPa and Cu{sub 64}Zr{sub 36} yield/flow stress: 3.57?GPa /1.58?GPa. Structural analysis indicates that the differences in mechanical behavior as a function of composition are rooted at the distinct statistics of prominent atomic Voronoi polyhedra. The mechanical behavior of NGs is also affected by the grain boundary thickness and the fraction of atoms at interfaces for a given average grain size. The results suggest that the composition dependence of the mechanical behavior of NGs follows that of their parent MGs, e.g., a stronger MG will generate a stronger NG, while the intrinsic tendency for homogeneous deformation occurring at small grain size is not affected by composition.

  3. Glass formation in binary and ternary Zr based Fe and Ni bearing alloys

    SciTech Connect (OSTI)

    Savalia, R.T.; Tewari, R.; Banerjee, S.; Dey, G.K.

    1996-01-01

    Rapid solidification of the Zr{sub 76}Fe{sub 24-x}Ni{sub x} alloys (x - 0, 4, 8, 12, 16, 20 and 24) by melt spinning under different conditions has yielded fully amorphous as well as partially crystalline ribbons. The partially crystalline ribbons have been found to contain crystal aggregates comprising a core of the {beta}-Zr phase surrounded by peripheral crystals of the Zr{sub 3}(Fe,Ni) phase in alloys with x < 12. In alloys containing larger amount of Ni (x {ge} 12), both Zr{sub 2}Ni and Zr{sub 3}(Fe,Ni) crystals have been found to be present in the periphery. The nucleation of the core crystals and the peripheral crystals in the undercooled melt has been examined by considering transient and steady state homogeneous and heterogeneous nucleation. The transient nucleation time and the steady state nucleation rate of crystals have been evaluated. For this purpose, use has been made of molar free energy difference {Delta}G{sub c} between the liquid and the crystalline phases determined from experimentally evaluated quantities. The growth of the crystals in the undercooled melt has been examined taking into account recalescence and heat removal during melt spinning. The glass forming ability of the alloys has been evaluated on the basis of the avoidance of crystallization approach. A comparison has been made between the microstructures of the splat cooled and the melt spun alloys in order to understand the process of solidification and the nature of phase transformation during post solidification cooling.

  4. Effect of Zr on microstructures and mechanical properties of an Al-Mg-Si-Cu-Cr alloy prepared by low frequency electromagnetic casting

    SciTech Connect (OSTI)

    Meng, Yi, E-mail: yimonmy@sina.com; Cui, Jianzhong; Zhao, Zhihao; He, Lizi

    2014-06-01

    The Al-1.6Mg-1.2Si-1.1Cu-0.15Cr (all in wt. %) alloys with and without Zr addition prepared by low frequency electromagnetic casting process were investigated by using the optical microscope, scanning electron microscope and transmission electron microscope equipped with energy dispersive analytical X-ray. The effects of Al{sub 3}Zr phases on the microstructures and mechanical properties during solidification, homogenization, hot extrusion and solid solution were studied. The results show that Al{sub 3}Zr phases reduce the grain size by ? 29% and promote the formation of an equiaxed grain structure during solidification. Numerous spherical Al{sub 3}Zr dispersoids with 3560 nm in diameters precipitate during homogenization, and these fine dispersoids change little during subsequent hot extrusion and solid solution. Adding 0.15 wt. % Zr results in no recrystallization after hot extrusion and partial recrystallization after solid solution, while the recrystallized grain size is 400550 ?m in extrusion direction in the Zr-free alloy. In addition, adding 0.15 wt. % Zr can obviously promote Q? phase precipitation, while the ?? phases are predominant in the alloy without Zr. Adding 0.15 wt. % Zr, the ultimate tensile strength of the T6 treated alloy increases by 45 MPa, while the elongation remains about 16.7%. - Highlights: Minor Zr can refine as-cast grains of the LFEC Al-Mg-Si-Cu-Cr alloy. L1{sub 2} Al{sub 3}Zr phases with 3560 nm in diameter precipitate during homogenization. L1{sub 2} and DO{sub 22} Al{sub 3}Zr phases result in partial recrystallization after solid solution. Minor Zr can promote the precipitation of Q? phases. Mechanical properties of Al-Mg-Si-Cu-Cr-Zr alloy are higher than those of AA7005.

  5. Thickness independent reduced forming voltage in oxygen engineered HfO{sub 2} based resistive switching memories

    SciTech Connect (OSTI)

    Sharath, S. U. Kurian, J.; Komissinskiy, P.; Hildebrandt, E.; Alff, L.; Bertaud, T.; Walczyk, C.; Calka, P.; Schroeder, T.

    2014-08-18

    The conducting filament forming voltage of stoichiometric hafnium oxide based resistive switching layers increases linearly with layer thickness. Using strongly reduced oxygen deficient hafnium oxide thin films grown on polycrystalline TiN/Si(001) substrates, the thickness dependence of the forming voltage is strongly suppressed. Instead, an almost constant forming voltage of about 3?V is observed up to 200?nm layer thickness. This effect suggests that filament formation and switching occurs for all samples in an oxidized HfO{sub 2} surface layer of a few nanometer thickness while the highly oxygen deficient thin film itself merely serves as a oxygen vacancy reservoir.

  6. Room temperature strain rate sensitivity in precursor derived HfO{sub 2}/Si-C-N(O) ceramic nanocomposites

    SciTech Connect (OSTI)

    Sujith, Ravindran; Kumar, Ravi

    2014-01-15

    Investigation on the room temperature strain rate sensitivity using depth sensing nanoindentation is carried out on precursor derived HfO{sub 2}/Si-C-N(O) ceramic nanocomposite sintered using pulsed electric current sintering. Using constant load method the strain rate sensitivity values are estimated. Lower strain rate sensitivity of ? 3.7 10{sup ?3} is observed and the limited strain rate sensitivity of these ceramic nanocomposites is explained in terms of cluster model. It is concluded that presence of amorphous Si-C-N(O) clusters are responsible for the limited flowability in these ceramics.

  7. Synthesis and physicochemical properties of Zr-MCM-41 mesoporous molecular sieves and Pt/H{sub 3}PW{sub 12}O{sub 40}/Zr-MCM-41 catalysts

    SciTech Connect (OSTI)

    Chen, L.F. Wang, J.A.; Norena, L.E.; Aguilar, J.; Navarrete, J.; Salas, P.; Montoya, J.A.; Del Angel, P.

    2007-10-15

    For the first time, modifications of the surface and framework of Si-MCM-41 by depositing a heteropolyacid on the surface and by introducing foreign Zr{sup 4+} ions into the framework are investigated. The Zr-modified Si-MCM-41 mesoporous materials (hereafter referred as WSZn, n=Si/Zr=25, 15, 8, 4) were synthesized through a surfactant-templated preparation approach, using low-cost fumed silica as the Si precursor. After impregnation with 25 wt% of H{sub 3}PW{sub 12}O{sub 40}, the surface Broensted acidity of the Pt/H{sub 3}PW{sub 12}O{sub 40}/WSZn catalysts was greatly enhanced by 2-10 times relative to the bare WSZn support. Two kinds of supported heteropolyacids were formed: (i) bulk-like heteropolyacid crystals with unchanged Keggin structures, and (ii) highly dispersed heteropolyacid with distorted Keggin units. The formation of various kinds of heteropolyacid structures is closely related to the interaction between the heteropolyanions and the hydroxyl groups in the host support. - Graphical abstract: Modifications of the surface and framework of Si-MCM-41 by depositing a heteropolyacid on the surface and by introducing foreign Zr{sup 4+} ions into the framework are investigated. Broensted acidity of the Pt/H{sub 3}PW{sub 12}O{sub 40}/Zr-MCM-41 catalysts was greatly enhanced by 2-10 times relative to the bare Zr-MCM-41 support.

  8. Thermal behavior of the amorphous precursors of the ZrO{sub 2}-SnO{sub 2} system

    SciTech Connect (OSTI)

    Stefanic, Goran Music, Svetozar; Ivanda, Mile

    2008-11-03

    Thermal behavior of the amorphous precursors of the ZrO{sub 2}-SnO{sub 2} system on the ZrO{sub 2}-rich side of the concentration range, prepared by co-precipitation from aqueous solutions of the corresponding salts, was monitored using differential thermal analysis, X-ray powder diffraction, Raman spectroscopy, field emission scanning electron microscopy (FE-SEM) and energy dispersive X-ray spectrometry (EDS). The crystallization temperature of the amorphous precursors increased with an increase in the SnO{sub 2} content, from 405 deg. C (0 mol% SnO{sub 2}) to 500 deg. C (40 mol% SnO{sub 2}). Maximum solubility of Sn{sup 4+} ions in the ZrO{sub 2} lattice ({approx}25 mol%) occurred in the metastable products obtained upon crystallization of the amorphous precursors. A precise determination of unit-cell parameters, using both Rietveld and Le Bail refinements of the powder diffraction patterns, shows that the incorporation of Sn{sup 4+} ions causes an asymmetric distortion of the monoclinic ZrO{sub 2} lattice. The results of phase analysis indicate that the incorporation of Sn{sup 4+} ions has no influence on the stabilization of cubic ZrO{sub 2} and negligible influence on the stabilization of tetragonal ZrO{sub 2}. Partial stabilization of tetragonal ZrO{sub 2} in products having a tin content above its solid-solubility limit was attributed to the influence of ZrO{sub 2}-SnO{sub 2} surface interactions. In addition to phases closely structurally related to cassiterite, monoclinic ZrO{sub 2} and tetragonal ZrO{sub 2}, a small amount of metastable ZrSnO{sub 4} phase appeared in the crystallization products of samples with 40 and 50 mol% of SnO{sub 2} calcined at 1000 deg. C. Further temperature treatments caused a decrease in and disappearance of metastable phases. The results of the micro-structural analysis show that the sinterability of the crystallization products significantly decreases with an increase in the SnO{sub 2} content.

  9. Photo-induced tunneling currents in MOS structures with various HfO{sub 2}/SiO{sub 2} stacking dielectrics

    SciTech Connect (OSTI)

    Pang, Chin-Sheng; Hwu, Jenn-Gwo

    2014-04-15

    In this study, the current conduction mechanisms of structures with tandem high-k dielectric in illumination are discussed. Samples of Al/SiO{sub 2}/Si (S), Al/HfO{sub 2}/SiO{sub 2}/Si (H), and Al/3HfO{sub 2}/SiO{sub 2}/Si (3H) were examined. The significant observation of electron traps of sample H compares to sample S is found under the double bias capacitance-voltage (C-V) measurements in illumination. Moreover, the photo absorption sensitivity of sample H is higher than S due to the formation of HfO{sub 2} dielectric layer, which leads to larger numbers of carriers crowded through the sweep of V{sub G} before the domination of tunneling current. Additionally, the HfO{sub 2} dielectric layer would block the electrons passing through oxide from valance band, which would result in less electron-hole (e{sup ?}-h{sup +}) pairs recombination effect. Also, it was found that both of the samples S and H show perimeter dependency of positive bias currents due to strong fringing field effect in dark and illumination; while sample 3H shows area dependency of positive bias currents in strong illumination. The non-uniform tunneling current through thin dielectric and through HfO{sub 2} stacking layers are importance to MOS(p) tunneling photo diodes.

  10. Reactive sputtering of ?-ZrH{sub 2} thin films by high power impulse magnetron sputtering and direct current magnetron sputtering

    SciTech Connect (OSTI)

    Hgberg, Hans Tengdelius, Lina; Eriksson, Fredrik; Broitman, Esteban; Lu, Jun; Jensen, Jens; Hultman, Lars; Samuelsson, Mattias

    2014-07-01

    Reactive sputtering by high power impulse magnetron sputtering (HiPIMS) and direct current magnetron sputtering (DCMS) of a Zr target in Ar/H{sub 2} plasmas was employed to deposit Zr-H films on Si(100) substrates, and with H content up to 61 at.?% and O contents typically below 0.2 at.?% as determined by elastic recoil detection analysis. X-ray photoelectron spectroscopy reveals a chemical shift of ?0.7?eV to higher binding energies for the Zr-H films compared to pure Zr films, consistent with a charge transfer from Zr to H in a zirconium hydride. X-ray diffraction shows that the films are single-phase ?-ZrH{sub 2} (CaF{sub 2} type structure) at H content >?55 at.?% and pole figure measurements give a 111 preferred orientation for these films. Scanning electron microscopy cross-section images show a glasslike microstructure for the HiPIMS films, while the DCMS films are columnar. Nanoindentation yield hardness values of 5.57 GPa for the ?-ZrH{sub 2} films that is slightly harder than the ?5 GPa determined for Zr films and with coefficients of friction in the range of 0.120.18 to compare with the range of 0.40.6 obtained for Zr films. Wear resistance testing show that phase-pure ?-ZrH{sub 2} films deposited by HiPIMS exhibit up to 50 times lower wear rate compared to those containing a secondary Zr phase. Four-point probe measurements give resistivity values in the range of ?100120 ?? cm for the ?-ZrH{sub 2} films, which is slightly higher compared to Zr films with values in the range 7080 ?? cm.

  11. The photoluminescence properties of Er{sup 3+}-doped ZrO{sub 2} nanotube arrays prepared by anodization

    SciTech Connect (OSTI)

    Wang, Xixin; Zhao, Jianling; Du, Peng; Guo, Limin; Xu, Xuewen; Tang, Chengchun

    2012-11-15

    Graphical abstract: Display Omitted Highlights: ? Er{sup 3+}-doped ZrO{sub 2} nanotube arrays were prepared by anodization of ZrEr alloy. ? Small tetragonal zirconia crystallites are tended to be formed due to the doping of Er{sup 3+}. ? Under excitation at 317 nm, the ZrO{sub 2} nantube arrays have strongest photoluminescence intensity. -- Abstract: Er{sup 3+}-doped ZrO{sub 2} nanotube arrays were prepared by anodization of ZrEr alloy which was obtained by melting zirconium with 1.0 wt% erbium. The morphology, structure and photoluminescence properties were studied through scanning electron microscope, transmission electron microscope, X-ray diffraction and photoluminescence analyzer. X-ray diffraction results indicate that doping of Er{sup 3+} affects the crystal structure and grain size obviously and the Er{sup 3+}-doped samples tend to form small tetragonal grains. Photoluminescence analyses show that when Er{sup 3+}-doped zirconia nanotube arrays are excited at 317 nm, there are two strong photoluminescence emission peaks at 373 nm and 415 nm. When the excitation wavelength is 257 nm, a photoluminescence emission peak appears at 363 nm. Under same measurement conditions, emission peaks of the undoped ZrO{sub 2} nanotube arrays are very weak.

  12. Devitrification kinetics and phase selection mechanisms in Cu-Zr metallic glasses

    SciTech Connect (OSTI)

    Kalay, Ilkay

    2010-12-15

    Metallic glasses have been a promising class of materials since their discovery in the 1960s. Indeed, remarkable chemical, mechanical and physical properties have attracted considerable attention, and several excellent reviews are available. Moreover, the special group of glass forming alloys known as the bulk metallic glasses (BMG) become amorphous solids even at relatively low cooling rates, allowing them to be cast in large cross sections, opening the scope of potential applications to include bulk forms and net shape structural applications. Recent studies have been reported for new bulk metallic glasses produced with lower cooling rates, from 0.1 to several hundred K/s. Some of the application products of BMGs include sporting goods, high performance springs and medical devices. Several rapid solidification techniques, including melt-spinning, atomization and surface melting have been developed to produce amorphous alloys. The aim of all these methods is to solidify the liquid phase rapidly enough to suppress the nucleation and growth of crystalline phases. Furthermore, the production of amorphous/crystalline composite (ACC) materials by partial crystallization of amorphous precursor has recently given rise to materials that provide better mechanical and magnetic properties than the monolithic amorphous or crystalline alloys. In addition, these advances illustrate the broad untapped potential of using the glassy state as an intermediate stage in the processing of new materials and nanostructures. These advances underlie the necessity of investigations on prediction and control of phase stability and microstructural dynamics during both solidification and devitrification processes. This research presented in this dissertation is mainly focused on Cu-Zr and Cu-Zr-Al alloy systems. The Cu-Zr binary system has high glass forming ability in a wide compositional range (35-70 at.% Cu). Thereby, Cu-Zr based alloys have attracted much attention according to fundamental research on the behaviors of glass forming alloys. Further motivation arising from the application of this system as a basis for many BMGs and ACC materials; the Cu-Zr system warrants this attention and offers great potential for the development of new materials. However, the prediction and control of microstructural evolution during devitrification remains challenging because of the complex devitrification behavior of the Cu-Zr binary alloy which is arising from the competition of metastable and stable phases and diversity of crystal structures. This dissertation details a systematic fundamental investigation into the mechanisms and kinetics of the various crystallization transformation processes involved in the overall devitrification response of Cu-Zr and Cu-Zr-Al glasses. Various isothermal and nonisothermal treatments are employed, and the structural response is characterized using bulk X-ray and thermal analysis methods as well as nanoscale microscopic analysis methods, revealing structural and chemical details down to the atomic-scale. By carefully combining techniques such as differential scanning calorimetry (DSC), in-situ synchrotron high energy X-ray diffraction (HEXRD), and transmission electron microscopy (TEM) to quantify the characterization transformations, this research has uncovered numerous details concerning the atomistic mechanisms of crystallization and has provided much new understanding related to the dominant phases, the overall reaction sequences, and the rate-controlling mechanisms. As such this work represents a substantial step forward in understanding these transformations and provides a clear framework for further progress toward ultimate application of controlled devitrification processing for the production of new materials with remarkable properties.

  13. Unique properties of CuZrAl bulk metallic glasses induced by microalloying

    SciTech Connect (OSTI)

    Huang, B.; Bai, H. Y.; Wang, W. H.

    2011-12-15

    We studied the glass forming abilities (GFA), mechanical, and physical properties of (CuZr){sub 92.5}Al{sub 7}X{sub 0.5} (X = La, Sm, Ce, Gd, Ho, Y, and Co) bulk metallic glasses (BMGs). We find that the GFA, mechanical, and physical properties can be markedly changed and modulated by the minor rare earth addition. The Kondo screening effect is found to exist in (CuZr){sub 92.5}Al{sub 7}Ce{sub 0.5} BMG at low temperatures and the Schottky effect exists in all the rare earth element doped BMGs. Our results indicate that the minor addition is an effective way for modulating and getting desirable properties of the BMGs. The mechanisms of the effects of the addition are discussed. The results have implications for the exploration of metallic glasses and for improving the mechanical and low temperature physical properties of BMGs.

  14. Permeability of CoNbZr amorphous thin films over a wide frequency range

    SciTech Connect (OSTI)

    Koyama, H.; Tsujimoto, H.; Shirae, K.

    1987-09-01

    CoNbZr amorphous films have attracted the attention of many researchers because of their high saturation magnetization, high permeability, low coercivity, and nearly zero magnetostriction. For these films to be used, one of the important magnetic properties is the behavior of the permeability over a wide frequency range. We have measured the permeability of a square-shaped magnetic film (13 mm x 55 mm) sputtered on a glass substrate from 1 MHz to 400 MHz using a stripline. Over 400 MHz, the permeability of the magnetic film was measured using a ring-shaped sample mounted in a coaxial fixture. The wall motion permeability of CoNbZr amorphous films decreases from 1 kHz to nearly zero at 1 MHz. The rotation permeability is constant to 100 MHz and ferromagnetic resonance is observed near 1 GHz.

  15. Features of conduction mechanisms in n-HfNiSn semiconductor heavily doped with a Rh acceptor impurity

    SciTech Connect (OSTI)

    Romaka, V. A.; Rogl, P.; Stadnyk, Yu. V.; Romaka, V. V.; Hlil, E. K.; Krajovskii, V. Ya.; Horyn, A. M.

    2013-09-15

    The crystal structure and electron-density distribution, as well as the energy, kinetic, and magnetic characteristics of n-HfNiSn intermetallic semiconductor heavily doped with a Rh acceptor impurity in the temperature range T = 80-400 K, in the acceptor-concentration range N{sub A}{sup Rh} Almost-Equal-To 9.5 Multiplication-Sign 10{sup 19}-1.9 Multiplication-Sign 10{sup 21} cm{sup -3} (x = 0.005-0.10), and in magnetic fields H {<=} 10 kG are investigated. It is established that doping is accompanied by a simultaneous decrease in concentration, the elimination of donor-type structural defects (to x Almost-Equal-To 0.02), and an increase in the concentration of acceptor-type structural defects (0 < x {<=} 0.10). The dependence of the degree of semiconductor compensation on temperature is revealed. A model of the spatial arrangement of atoms in HfNi{sub 1-x}Rh{sub x}Sn is proposed, and the results of calculating the electron structure based on this model agree with the results of investigations of the kinetic and magnetic characteristics of the semiconductor. The results are discussed within the context of the Shklovskii-Efros model for a heavily doped and compensated semiconductor.

  16. Unintentional F doping of SrTiO3(001) etched in HF acid-structure and electronic properties

    SciTech Connect (OSTI)

    Chambers, Scott A.; Droubay, Timothy C.; Capan, Cigdem; Sun, Guangyuan

    2012-02-01

    We show that the HF acid etch commonly used to prepare SrTiO3(001) for heteroepitaxial growth of complex oxides results in a non-negligible level of F doping within the terminal surface layer of TiO2. Using a combination of x-ray photoelectron spectroscopy and scanned angle x-ray photoelectron diffraction, we determine that on average ~ 13% of the O anions in the surface layer are replaced by F, but that F does not occupy O sites in deeper layers. Despite this perturbation to the surface, the Fermi level remains unpinned, and the surface-state density, which determines the amount of band bending, is driven by factors other than F doping. The presence of F at the STO surface is expected to result in lower electron mobilities at complex oxide heterojunctions involving STO substrates because of impurity scattering. Unintentional F doping can be substantially reduced by replacing the HF-etch step with a boil in deionized water, which in conjunction with an oxygen tube furnace anneal, leaves the surface flat and TiO2 terminated.

  17. Microstructure–property relationships in a high-strength 51Ni–29Ti–20Hf shape memory alloy

    SciTech Connect (OSTI)

    Coughlin, D. R.; Casalena, L.; Yang, F.; Noebe, R. D.; Mills, M. J.

    2015-09-18

    NiTiHf alloys exhibit remarkable shape memory and pseudoelastic properties that are of fundamental interest to a growing number of industries. In this study, differential scanning calorimetry and isothermal compression tests have revealed that the 51Ni–29Ti–20Hf alloy has useful shape memory properties that include a wide range of transformation temperatures as well as highly stable pseudoelastic behavior. These properties are governed by short-term aging conditions, which may be tailored to control transformation temperatures while giving rise to exceptionally high austenite yield strengths which aid transformation stability. The yield strength of the austenite phase can reach 2.1 GPa by aging for 3hrs at 500°C, while aging for 3hrs at 700°C produced an alloy with an austenite finish temperature (A f ) of 146°C. High-resolution scanning transmission electron microscopy has revealed a new precipitate phase, H-phase, under the homogenized and extruded condition and the aged 3 hrs at 500°C condition, but only the previously identified H-phase precipitate was observed after aging at temperatures of 600°C and 700°C for 3 hrs. Finally, dislocation analysis indicated that plastic deformation of the austenite phase occurred by <100> type slip, similar to that observed in binary NiTi.

  18. Separate effects identification via casting process modeling for experimental measurement of UPuZr alloys

    SciTech Connect (OSTI)

    J. Crapps; D. S. DeCroix; J. D. Galloway; D. A. Korzekwa; R. Aikin; R. Fielding; R. Kennedy; C. Unal

    2013-11-01

    Computational simulations of gravity casting processes for metallic UPuZr nuclear fuel rods have been performed using a design-of-experiments technique to determine the fluid flow, liquid heat transfer, and solid heat transfer parameters which most strongly influence the process solidification speed and fuel rod porosity. The results are used to make recommendations for the best investment of experimental time and effort to measure process parameters.

  19. Fluorohydrogenate Cluster Ions in the Gas Phase: Electrospray Ionization Mass Spectrometry of the [1-Ethyl-3-methylimidazolium+][F(HF)2.3] Ionic Liquid

    SciTech Connect (OSTI)

    Gary S. Groenewold; James E. Delmore; Michael T. Benson; Tetsuya Tsuda; Rika Hagiwara

    2013-12-01

    Electrospray ionization of the fluorohydrogenate ionic liquid [1-ethyl-3-methylimidazolium][F(HF)2.3] ionic liquid was conducted to understand the nature of the anionic species as they exist in the gas phase. Abundant fluorohydrogenate clusters were produced; however, the dominant anion in the clusters was [FHF-], and not the fluoride-bound HF dimers or trimers that are seen in solution. Density functional theory (DFT) calculations suggest that HF molecules are bound to the clusters by about 30 kcal/mol. The DFT-calculated structures of the [FHF-]-bearing clusters show that the favored interactions of the anions are with the methynic and acetylenic hydrogen atoms on the imidazolium cation, forming planar structures similar to those observed in the solid state. A second series of abundant negative ions was also formed that contained [SiF5-] together with the imidazolium cation and the fluorohydrogenate anions that originate from reaction of the spray solution with silicate surfaces.

  20. A Novel Zr-1Nb Alloy and a New Look at Hydriding

    SciTech Connect (OSTI)

    Robert D. Mariani; James I. Cole; Assel Aitkaliyeva

    2013-09-01

    A novel Zr-1Nb has begun development based on a working model that takes into account the hydrogen permeabilities for zirconium and niobium metals. The beta-Nb secondary phase particles (SPPs) in Zr-1Nb are believed to promote more rapid hydrogen dynamics in the alloy in comparison to other zirconium alloys. Furthermore, some hydrogen release is expected at the lower temperatures corresponding to outages when the partial pressure of H2 in the coolant is less. These characteristics lessen the negative synergism between corrosion and hydriding that is otherwise observed in cladding alloys without niobium. In accord with the working model, development of nanoscale precursors was initiated to enhance the performance of existing Zr-1Nb alloys. Their characteristics and properties can be compared to oxide-dispersion strengthened alloys, and material additions have been proposed to zirconium-based LWR cladding to guard further against hydriding and to fix the size of the SPPs for microstructure stability enhancements. A preparative route is being investigated that does not require mechanical alloying, and 10 nanometer molybdenum particles have been prepared which are part of the nanoscale precursors. If successful, the approach has implications for long term dry storage of used fuel and for new routes to nanoferritic and ODS alloys.

  1. Investigation of Zr-doped BSCF perovskite membrane for oxygen separation in the intermediate temperature range

    SciTech Connect (OSTI)

    Ravkina, Olga; Klande, Tobias; Feldhoff, Armin

    2013-05-01

    The series of (Ba?.?Sr?.?)(Co?.?Fe?.?){sub 1z}Zr{sub z}O{sub 3?} (z=0, 0.01, 0.03, 0.05, 0.07, and 0.09) was synthesized by a solgel method. The materials with a zirconium content up to 3 mol% were found to be single phase. Further increase results in formation of a mixed (Ba,Sr)ZrO? by-phase, which was found along the grain boundaries and in the grains. With increasing zirconium content the oxygen permeation flux decreases considerably. The effect of the zirconium substitution on the long-term phase stability was investigated by long-term oxygen permeation experiments and X-ray diffraction. A slight stabilization of the oxygen flux of (Ba?.?Sr{sub 0.5})(Co?.?Fe?.?)?.??Zr?.??O{sub 3?} was found after 180 h at 1023 K. However, all compositions show a decrease in permeation flux with time, but the pure BSCF membrane exhibited the strongest drop after 180 h of operation. The decomposition products of the cubic perovskite phase were found to be a hexagonal Ba{sub 0.5x}Sr{sub 0.5x}CoO? and a rhombohedral Ba{sub 1x}Sr{sub x}Co{sub 2y}Fe{sub y}O{sub 5?}. - Graphical abstract: Backscattered-electron channeling contrast image of BSCF membrane cross-section after long-term oxygen permeation at 1023 K showing different phases in different colors. Highlights: Ba?.?Sr?.?Co?.?Fe?.?O{sub 3?} systematically doped with increasing amount of zirconium. Cubic single-phase materials up to 3 wt% zirconium. Mixed (Ba,Sr)ZrO? by-phase formed mainly in the grain boundaries. Jnecke prism was proposed by XRD and EDXS data. (Ba?.?Sr?.?)(Co?.?Fe?.?)?.??Zr?.??O{sub 3?} showed a slight stabilization of oxygen flux as compared to pure Ba?.?Sr?.?Co?.?Fe?.?O{sub 3?}.

  2. Self-organization during growth of ZrN/SiN{sub x} multilayers by epitaxial lateral overgrowth

    SciTech Connect (OSTI)

    Fallqvist, A.; Fager, H.; Hultman, L.; Persson, P. O. .; Ghafoor, N.

    2013-12-14

    ZrN/SiN{sub x} nanoscale multilayers were deposited on ZrN seed layers grown on top of MgO(001) substrates by dc magnetron sputtering with a constant ZrN thickness of 40 and with an intended SiN{sub x} thickness of 2, 4, 6, 8, and 15 at a substrate temperature of 800 C and 6 at 500 C. The films were investigated by X-ray diffraction, high-resolution scanning transmission electron microscopy, and energy dispersive X-ray spectroscopy. The investigations show that the SiN{sub x} is amorphous and that the ZrN layers are crystalline. Growth of epitaxial cubic SiN{sub x}known to take place on TiN(001)on ZrN(001) is excluded to the monolayer resolution of this study. During the course of SiN{sub x} deposition, the material segregates to form surface precipitates in discontinuous layers for SiN{sub x} thicknesses ?6 that coalesce into continuous layers for 8 and 15 thickness at 800 C, and for 6 at 500 C. The SiN{sub x} precipitates are aligned vertically. The ZrN layers in turn grow by epitaxial lateral overgrowth on the discontinuous SiN{sub x} in samples deposited at 800 C with up to 6 thick SiN{sub x} layers. Effectively a self-organized nanostructure can be grown consisting of strings of 13 nm large SiN{sub x} precipitates along apparent column boundaries in the epitaxial ZrN.

  3. /sup 234/U//sup 230/Th ratio as an indicator of redox state, and U, Th and Ra behavior in briney aquifers

    SciTech Connect (OSTI)

    Laul, J.C.; Smith, M.R.; Hubbard, N.

    1985-06-01

    The /sup 234/U//sup 230/Th ratio serves as an in-situ indicator of the redox state in groundwater aquifers. The higher this ratio, the more U there is in the +6 state and thus a lesser reducing environment. Radium is retarded in the shallow aquifer and its sorption is dependent on the CaSO/sub 4/ content and redox state. Relative to Ra, U and Th are highly sorbed. The total retardation factor for Th is approx.1400 and mean sorption time for /sup 228/Th is approx.10 days in the shallow zone. The desorption rate of Ra is significantly slower in the shallow than in the deep aquifer. There is no effect of colloids in brines. 6 refs., 5 figs., 2 tabs.

  4. /sup 234/U//sup 230/Th ratio as an indicator of redox state, and U/sub 2/, Th, and Ra behavior in Briney aquifers

    SciTech Connect (OSTI)

    Laul, J.C.; Smith, M.R.; Hubbard, N.

    1986-01-01

    The /sup 234/U//sup 230/Th ratio serves as an in-situ indicator of the redox state in groundwater aquifers. The higher this ratio, the more U there is in the +6 valance state and thus a less reducing environment. Radium sorption is retarded in the shallow aquifer and is dependent on the CaSO/sub 4/ content and the redox state. Relative to Ra, U and Th are highly sorbed. The total retardation factor for Th is approx. 1400 and mean sorption time for /sup 228/Th is approx. 10 days in the shallow zone. The desorption rate of Ra is significantly slower in the shallow than in the deep aquifer. There is no effect of colloids in brines.

  5. Microsoft Word - Ra-15

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

    aggressively to ensure that resources are deployed where they will be of greatest value. However, despite these efforts, two of the Department's major projects have less than...

  6. Selected Sub-grantees of the Department of Energy's American Recovery and Reinvestment Act of 2009 … Illinois State Energy Program, OAS-RA-13-19

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

    Reports Selected Sub-grantees of the Department of Energy's American Recovery and Reinvestment Act - Illinois State Energy Program OAS-RA-13-19 April 2013 Department of Energy Washington, DC 20585 April 30, 2013 MEMORANDUM FOR THE ASSISTANT SECRETARY FOR ENERGY EFFICIENCY AND RENEWABLE ENERGY FROM: Rickey R. Hass Deputy Inspector General for Audits and Inspections Office of Inspector General SUBJECT: INFORMATION: Examination Reports on "Selected Sub-grantees of the Department of Energy's

  7. Comparative studies of dipole polarizabilities in Sr{sup +}, Ba{sup +}, and Ra{sup +} and their applications to optical clocks

    SciTech Connect (OSTI)

    Sahoo, B. K.; Timmermans, R. G. E.; Das, B. P.; Mukherjee, D.

    2009-12-15

    Static dipole polarizabilities are calculated in the ground and metastable states of Sr{sup +}, Ba{sup +} and Ra{sup +} using the relativistic coupled-cluster method. Trends of the electron correlation effects are investigated in these atomic ions. We also estimate the Stark and black-body radiation shifts from these results for these systems for the transitions proposed for the optical frequency standards and compare them with available experimental data.

  8. The 12 GeV CEBAF Upgrade Project at Thomas Jefferson National Accelerator Facility, OAS-RA-L-11-13

    Energy Savers [EERE]

    12 GeV CEBAF Upgrade Project at Thomas Jefferson National Accelerator Facility OAS-RA-L-11-13 September 2011 Department of Energy Washington, DC 20585 September 30, 2011 MEMORANDUM FOR THE DEPUTY DIRECTOR FOR SCIENCE PROGRAMS, OFFICE OF SCIENCE DIRECTOR, OFFICE OF RISK MANAGEMENT AND FINANCIAL POLICY, OFFICE OF THE CHIEF FINANCIAL OFFICER FROM: David Sedillo, Director NNSA & Science Audits Division Office of Inspector General SUBJECT: INFORMATION: Audit Report on "The 12 GeV CEBAF

  9. The Department of Energy's $700 Million Smart Grid Demonstration Program Funded through the American Recovery and Reinvestment Act of 2009, OAS-RA-13-08

    Energy Savers [EERE]

    $700 Million Smart Grid Demonstration Program Funded through the American Recovery and Reinvestment Act of 2009 OAS-RA-13-08 January 2013 Department of Energy Washington, DC 20585 January 17, 2013 MEMORANDUM FOR THE SECRETARY FROM: Gregory H. Friedman Inspector General SUBJECT: INFORMATION: Audit Report on "The Department of Energy's $700 Million Smart Grid Demonstration Program Funded through the American Recovery and Reinvestment Act of 2009" INTRODUCTION AND OBJECTIVE The Department

  10. The Department of Energy's American Recovery and Reinvestment Act-Ohio State Energy Program, OAS-RA-L-12-07

    Energy Savers [EERE]

    The Department of Energy's American Recovery and Reinvestment Act - Ohio State Energy Program OAS-RA-L-12-07 September 2012 Department of Energy Washington, DC 20585 September 20, 2012 MEMORANDUM FOR THE ASSISTANT SECRETARY FOR ENERGY EFFICIENCY AND RENEWABLE ENERGY for FROM: Rickey R. Hass Deputy Inspector General for Audits and Inspections Office of Inspector General SUBJECT: INFORMATION: Examination Report on "The Department of Energy's American Recovery and Reinvestment Act - Ohio State

  11. The Department of Energy's Clean Cities Alternative Fuel Vehicle Grant Program Funded under the American Recovery and Reinvestment Act, OAS-RA-12-12

    Energy Savers [EERE]

    Clean Cities Alternative Fuel Vehicle Grant Program Funded under the American Recovery and Reinvestment Act OAS-RA-12-12 May 2012 Department of Energy Washington, DC 20585 May 22, 2012 MEMORANDUM FOR THE SECRETARY FROM: Gregory H. Friedman Inspector General SUBJECT: INFORMATION: Audit Report on "The Department of Energy's Clean Cities Alternative Fuel Vehicle Grant Program Funded under the American Recovery and Reinvestment Act" INTRODUCTION AND OBJECTIVE Under the American Recovery

  12. The Department of Energy's Weatherization Assistance Program Funded under the American Recovery and Reinvestment Act for the Commonwealth of Virginia, OAS-RA-11-14

    Energy Savers [EERE]

    Commonwealth of Virginia OAS-RA-11-14 August 2011 Department of Energy Washington, DC 20585 August 25, 2011 MEMORANDUM FOR THE SECRETARY FROM: Gregory H. Friedman Inspector General SUBJECT: INFORMATION: Audit Report on "The Department of Energy's Weatherization Assistance Program Funded under the American Recovery and Reinvestment Act for the Commonwealth of Virginia" BACKGROUND In 2009, the Commonwealth of Virginia's (Virginia) Department of Housing and Community Development's (DHCD)

  13. The Department of Energy's Weatherization Assistance Program under the American Recovery and Reinvestment Act in the State of Missouri (OAS-RA-11-11)

    Energy Savers [EERE]

    Missouri OAS-RA-11-12 August 2011 Department of Energy Washington, DC 20585 August 22, 2011 MEMORANDUM FOR THE ACTING ASSISTANT SECRETARY FOR ENERGY EFFICIENCY AND RENEWABLE ENERGY FROM: George W. Collard Assistant Inspector General for Audits Office of Inspector General SUBJECT: INFORMATION: Audit Report on "The Department of Energy's Weatherization Assistance Program under the American Recovery and Reinvestment Act in the State of Missouri" BACKGROUND The Department of Energy's

  14. The Department of Energy's Weatherization Assistance Program under the American Recovery and Reinvestment Act in the State of Ohio, OAS-RA-12-13

    Energy Savers [EERE]

    Weatherization Assistance Program under the American Recovery and Reinvestment Act in the State of Ohio OAS-RA-12-13 June 2012 Department of Energy Washington, DC 20585 June 25, 2012 MEMORANDUM FOR THE ASSISTANT SECRETARY, ENERGY EFFICIENCY AND RENEWABLE ENERGY FROM: Rickey R. Hass Deputy Inspector General for Audit Services Office of Inspector General SUBJECT: INFORMATION: Audit Report on "The Department of Energy's Weatherization Assistance Program under the American Recovery and

  15. The Department of Energy's Weatherization Assistance Program under the American Recovery and Reinvestment Act in the State of Tennessee, OAS-RA-11-17

    Energy Savers [EERE]

    U.S. Department of Energy Office of Inspector General Office of Audits and Inspections Audit Report The Department of Energy's Weatherization Assistance Program under the American Recovery and Reinvestment Act in the State of Tennessee OAS-RA-11-17 September 2011 Department of Energy Washington, DC 20585 September 19, 2011 MEMORANDUM FOR THE ACTING ASSISTANT SECRETARY FOR ENERGY EFFICIENCY AND RENEWABLE ENERGY FROM: George W. Collard Assistant Inspector General for Audits Office of Inspector

  16. The Department's Implementation of Financial Incentive Programs under the Energy Efficiency and Conservation Block Grant Program, OAS-RA-L-13-02

    Energy Savers [EERE]

    Implementation of Financial Incentive Programs under the Energy Efficiency and Conservation Block Grant Program OAS-RA-L-13-02 December 2012 Department of Energy Washington, DC 20585 December 3, 2012 MEMORANDUM FOR THE PROGRAM MANAGER, WEATHERIZATION AND INTERGOVERNMENTAL PROGRAM FROM: George W. Collard Assistant Inspector General for Audits Office of Inspector General SUBJECT: INFORMATION: Audit Report on "The Department's Implementation of Financial Incentive Programs under the Energy

  17. The Management of Post-Recovery Act Workforce Transition at Office of Environmental Management Sites, OAS-RA-12-06

    Energy Savers [EERE]

    Management of Post-Recovery Act Workforce Transition at Office of Environmental Management Sites OAS-RA-12-06 February 2012 Department of Energy Washington, DC 20585 February 22, 2012 MEMORANDUM FOR THE SECRETARY FROM: Gregory H. Friedman Inspector General SUBJECT: INFORMATION: Audit Report on "The Management of Post- Recovery Act Workforce Transition at Office of Environmental Management Sites" BACKGROUND The American Recovery and Reinvestment Act of 2009 was enacted to stimulate the

  18. Area Community Services Employment and Training Council … Weatherization Assistance Program Funds Provided by the American Recovery and Reinvestment Act of 2009, OAS-RA-13-23

    Energy Savers [EERE]

    Area Community Services Employment and Training Council - Weatherization Assistance Program Funds Provided by the American Recovery and Reinvestment Act of 2009 OAS-RA-13-23 June 2013 Department of Energy Washington, DC 20585 June 18, 2013 MEMORANDUM FOR THE ASSISTANT SECRETARY FOR ENERGY EFFICIENCY AND RENEWABLE ENERGY FROM: Rickey R. Hass Deputy Inspector General for Audits and Inspections Office of Inspector General SUBJECT: INFORMATION: Examination Report on "Area Community Services

  19. People's Equal Action and Community Effort, Inc. Š Weatherization Assistance Program Funds Provided by the American Recovery and Reinvestment Act of 2009, OAS-RA-11-20

    Energy Savers [EERE]

    People's Equal Action and Community Effort, Inc. - Weatherization Assistance Program Funds Provided by the American Recovery and Reinvestment Act of 2009 OAS-RA-11-20 September 2011 Department of Energy Washington, DC 20585 September 30, 2011 MEMORANDUM FOR THE ACTING ASSISTANT SECRETARY FOR ENERGY EFFICIENCY AND RENEWABLE ENERGY FROM: Rickey R. Hass Deputy Inspector General for Audits and Inspections Office of Inspector General SUBJECT: INFORMATION: Examination Report on "People's Equal

  20. Fresno County Economic Opportunities Commission Š Weatherization Assistance Program Funds Provided by the American Recovery and Reinvestment Act of 2009, OAS-RA-13-11

    Office of Environmental Management (EM)

    Fresno County Economic Opportunities Commission  Weatherization Assistance Program Funds Provided by the American Recovery and Reinvestment Act of 2009 OAS-RA-13-11 February 2013 Department of Energy Washington, DC 20585 February 19, 2013 MEMORANDUM FOR THE ASSISTANT SECRETARY FOR ENERGY EFFICIENCY AND RENEWABLE ENERGY FROM: Rickey R. Hass Deputy Inspector General for Audits and Inspections Office of Inspector General SUBJECT: INFORMATION: Examination Report on "Fresno County Economic

  1. Lessons Learned/Best Practices during the Department of Energy's Implementation of the American Recovery and Reinvestment Act of 2009, OAS-RA-12-03

    Office of Environmental Management (EM)

    Lessons Learned/Best Practices during the Department of Energy's Implementation of the American Recovery and Reinvestment Act of 2009 OAS-RA-12-03 January 2012 Department of Energy Washington, DC 20585 January 18, 2012 MEMORANDUM FOR THE SECRETARY FROM: Gregory H. Friedman Inspector General SUBJECT: INFORMATION: Special Report on "Lessons Learned/Best Practices during the Department of Energy's Implementation of the American Recovery and Reinvestment Act of 2009" BACKGROUND The

  2. Community Action Partnership of Orange County - Weatherization Assistance Program Funds Provided by the American Recovery and Reinvestment Act of 2009, OAS-RA-13-03

    Office of Environmental Management (EM)

    Community Action Partnership of Orange County - Weatherization Assistance Program Funds Provided by the American Recovery and Reinvestment Act of 2009 OAS-RA-13-03 October 2012 Department of Energy Washington, DC 20585 October 17, 2012 MEMORANDUM FOR THE ASSISTANT SECRETARY, ENERGY EFFICIENCY AND RENEWABLE ENERGY FROM: Rickey R. Hass Deputy Inspector General for Audit Services Office of Inspector General SUBJECT: INFORMATION: Examination Report on "Community Action Partnership of Orange

  3. County of Los Angeles Energy Efficiency and Conservation Block Grant Program Funds Provided by the American Recovery and Reinvestment Act of 2009, OAS-RA-13-02

    Office of Environmental Management (EM)

    County of Los Angeles - Energy Efficiency and Conservation Block Grant Program Funds Provided by the American Recovery and Reinvestment Act of 2009 OAS-RA-13-02 October 2012 Department of Energy Washington, DC 20585 October 9, 2012 MEMORANDUM FOR THE ASSISTANT SECRETARY, ENERGY EFFICIENCY AND RENEWABLE ENERGY FROM: Rickey R. Hass Deputy Inspector General for Audit Services Office of Inspector General SUBJECT: INFORMATION: Examination Report on "County of Los Angeles - Energy Efficiency and

  4. Cuyahoga County of Ohio Department of Development … Weatherization Assistance Program Funds Provided by the American Recovery and Reinvestment Act of 2009, OAS-RA-11-19

    Office of Environmental Management (EM)

    Examination Report Cuyahoga County of Ohio Department of Development - Weatherization Assistance Program Funds Provided by the American Recovery and Reinvestment Act of 2009 OAS-RA-11-19 September 2011 Department of Energy Washington, DC 20585 September 29, 2011 MEMORANDUM FOR THE ACTING ASSISTANT SECRETARY FOR ENERGY EFFICIENCY AND RENEWABLE ENERGY FROM: Rickey R. Hass Deputy Inspector General for Audits and Inspections Office of Inspector General SUBJECT: INFORMATION: Examination Report on

  5. Western Area Power Administration's Control and Administration of American Recovery and Reinvestment Act Borrowing Authority, OAS-RA-12-01

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

    Management Alert Western Area Power Administration's Control and Administration of American Recovery and Reinvestment Act Borrowing Authority OAS-RA-12-01 November 2011 Department of Energy Washington, DC 20585 November 4, 2011 MEMORANDUM FOR THE ADMINISTRATOR, WESTERN AREA POWER ADMINISTRATION FROM: Gregory H. Friedman Inspector General SUBJECT: INFORMATION: Management Alert on "The Western Area Power Administration's Control and Administration of American Recovery and Reinvestment Act

  6. In situ study of HfO{sub 2} atomic layer deposition on InP(100)

    SciTech Connect (OSTI)

    Dong, H.; Brennan, B.; Kim, J.; Hinkle, C. L.; Wallace, R. M.; Zhernokletov, D.

    2013-04-29

    The interfacial chemistry of the native oxide and chemically treated InP samples during atomic layer deposition (ALD) HfO{sub 2} growth at 250 Degree-Sign C has been studied by in situ X-ray photoelectron spectroscopy. The In-oxide concentration is seen to gradually decrease on the native oxide and acid etched samples. No significant changes of the P-oxide concentrations are detected, while the P-oxides chemical states are seen to change gradually during the initial cycles of ALD on the native oxide and the chemically treated samples. (NH{sub 4}){sub 2}S treatment strongly decreases In-oxide and P-oxide concentrations prior to ALD and maintains low concentrations during the ALD process.

  7. 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.

  8. Set statistics in conductive bridge random access memory device with Cu/HfO{sub 2}/Pt structure

    SciTech Connect (OSTI)

    Zhang, Meiyun; Long, Shibing Wang, Guoming; Xu, Xiaoxin; Li, Yang; Liu, Qi; Lv, Hangbing; Liu, Ming; Lian, Xiaojuan; Miranda, Enrique; Su, Jordi

    2014-11-10

    The switching parameter variation of resistive switching memory is one of the most important challenges in its application. In this letter, we have studied the set statistics of conductive bridge random access memory with a Cu/HfO{sub 2}/Pt structure. The experimental distributions of the set parameters in several off resistance ranges are shown to nicely fit a Weibull model. The Weibull slopes of the set voltage and current increase and decrease logarithmically with off resistance, respectively. This experimental behavior is perfectly captured by a Monte Carlo simulator based on the cell-based set voltage statistics model and the Quantum Point Contact electron transport model. Our work provides indications for the improvement of the switching uniformity.

  9. On stability of self-sustained volume discharge in working mixtures of non-chain electrochemical HF laser

    SciTech Connect (OSTI)

    Belevtsev, A A; Kazantsev, S Yu; Konov, I G; Lebedev, A A; Podlesnykh, S V; Firsov, K N

    2011-08-31

    Burning voltage of a self-sustained volume discharge (SSVD) is studied as a function of the specific energy deposition in SF{sub 5} with C{sub 2}-H{sub 6} and H{sub 2} mixtures, which are working media of a non-chain electrochemical HF laser. It is established that the voltage rises linearly with increasing the specific energy deposition, the relative voltage rise in the SF{sub 6}-C{sub 2}H{sub 6} mixtures being noticeably higher than in pure SF{sub 6} and SF{sub 6}-H{sub 2} mixtures. An assumption is suggested and substantiated on determining the role of molecule dissociation by the electron impact leading to the observed voltage rise. From experimental data we have found approximate energy expenditures of producing dissociation fragments including atomic fluorine in a discharge in pure SF{sub 6}: E-tilde {sub d}(F)= 5{+-}1 eV. The values of E{sub d} well agree with literature data obtained by other experimental methods. A conclusion is drawn that the dissociation process is the main mechanism limiting the current density, which implies SSVD realisation without preliminary gas ionisation in working mixtures of a non-chain HF laser and determines a higher stability of the volume discharge in mixtures of SF{sub 6} with hydrocarbons (deuterocarbons) as compared to mixtures with hydrogen (deuterium). A method is suggested and substantiated for numerical estimation of the limitation effect of the current density and its influence on the SSVD stability. (control of radiation parameters)

  10. Enhancing low-temperature activity and durability of Pd-based diesel oxidation catalysts using ZrO2 supports

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

    Kim, Mi -Young; Kyriakidou, Eleni A.; Choi, Jae -Soon; Toops, Todd J.; Binder, Andrew J.; Thomas, Cyril; Schwartz, Viviane; Chen, Jihua; Hensley, Dale K.; Parks, II, James E.

    2016-01-18

    In this study, we investigated the impact of ZrO2 on the performance of palladium-based oxidation catalysts with respect to low-temperature activity, hydrothermal stability, and sulfur tolerance. Pd supported on ZrO2 and SiO2 were synthesized for a comparative study. Additionally, in an attempt to maximize the ZrO2 surface area and improve sulfur tolerance, a Pd support with ZrO2-dispersed onto SiO2 was studied. The physicochemical properties of the catalysts were examined using ICP, N2 sorption, XRD, SEM, TEM, and NH3-, CO2-, and NOx-TPD. The activity of the Pd catalysts were measured from 60 to 600 °C in a flow of 4000 ppmmore » CO, 500 ppm NO, 1000 ppm C3H6, 4% O2, 5% H2O, and Ar balance. The Pd catalysts were evaluated in fresh, sulfated, and hydrothermally aged states. Overall, the ZrO2-containing catalysts showed considerably higher CO and C3H6 oxidation activity than Pd/SiO2 under the reaction conditions studied.« less

  11. Anisotropy of the solid–liquid interface properties of the Ni–Zr B33 phase from molecular dynamics simulation

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

    Wilson, S. R.; Mendelev, M. I.

    2015-01-08

    Solid–liquid interface (SLI) properties of the Ni–Zr B33 phase were determined from molecular dynamics simulations. In order to perform these measurements, a new semi-empirical potential for Ni–Zr alloy was developed that well reproduces the material properties required to model SLIs in the Ni50.0Zr50.0 alloy. In particular, the developed potential is shown to provide that the solid phase emerging from the liquid Ni50.0Zr50.0alloy is B33 (apart from a small fraction of point defects), in agreement with the experimental phase diagram. The SLI properties obtained using the developed potential exhibit an extraordinary degree of anisotropy. It is observed that anisotropies in bothmore »the interfacial free energy and mobility are an order of magnitude larger than those measured to date in any other metallic compound. Moreover, the [0 1 0] interface is shown to play a significant role in the observed anisotropy. Our data suggest that the [0 1 0] interface simultaneously corresponds to the lowest mobility, the lowest free energy and the highest stiffness of all inclinations in B33 Ni–Zr. This finding can be understood by taking into account a rather complicated crystal structure in this crystallographic direction.« less

  12. Structural, negative thermal expansion and photocatalytic properties of ZrV{sub 2}O{sub 7}: a comparative study between fibers and powders

    SciTech Connect (OSTI)

    Liu, Qinqin; Yang, Juan; Rong, Xiaoqing; Sun, Xiujuan; Cheng, Xiaonong; Tang, Hua; Li, Haohua

    2014-10-15

    Novel ZrV{sub 2}O{sub 7} microfibers with diameters about 13 ?m were synthesized using a solgel technique. For comparison, ZrV{sub 2}O{sub 7} powders were prepared by the same method. The resultant structures were studied by X-ray diffraction, field-emission scanning electron microscopy and transmission electron microscopy. The results indicated that both the pure ZrV{sub 2}O{sub 7} microfibers and powders could be synthesized by the solgel technique. The thermal expansion property of the as-prepared ZrV{sub 2}O{sub 7} microfibers and powders was characterized by a thermal mechanical analyzer, both the fibers with cylindrical morphology and irregular powders with average size between 100 and 200 nm showed negative thermal expansion between 150 C and 600 C. The photocatalytic activity of the microfibers was compared to that of powders under UV radiations. The band gap of ZrV{sub 2}O{sub 7} microfibers decreased and its absorption edge exhibited red shift. The microfibers also had a higher surface area compared with the powders, resulting in considerably higher photocatalytic characteristics. The large surface area and the enhanced photocatalytic activity of the ZrV{sub 2}O{sub 7} microfibers also offer potential applications in sensors and inorganic ion exchangers. - Graphical abstract: (a and c) SEM photos of ZrV{sub 2}O{sub 7} powders and fibers. (b and d) TEM images of ZrV{sub 2}O{sub 7} powders and fibers. (e) Thermal expansion curves of ZrV{sub 2}O{sub 7} powders and fibers. (f) Degradation curves of ZrV{sub 2}O{sub 7} powders and ZrV{sub 2}O{sub 7} fibers. - Highlights: Novel ZrV{sub 2}O{sub 7} fibers could be synthesized using solgel technique. ZrV{sub 2}O{sub 7} powders with irregular shape are also prepared for comparison. Both ZrV{sub 2}O{sub 7} microfibers and powders exhibit negative thermal expansion property. ZrV{sub 2}O{sub 7} microfibers show outstanding photocatalytic activity under UV irradiation. This synthesis technique can be easily extended to many other functional fibers.

  13. Modeling of constituent redistribution in U-Pu-Zr metallic fuel.

    SciTech Connect (OSTI)

    Kim, Y. S.; Hofman, G. L.; Hayes, S. L.; Yacout, A. M.; Nuclear Engineering Division; INL

    2006-12-01

    A computer model was developed to analyze constituent redistribution in U-Pu-Zr metallic nuclear fuels. Diffusion and thermochemical properties were parametrically determined to fit the postirradiation data from a fuel test performed in the Experimental Breeder Reactor II (EBR-II). The computer model was used to estimate redistribution profiles of fuels proposed for the conceptual designs of small modular fast reactors. The model results showed that the level of redistribution of the fuel constituents of the designs was similar to the measured data from EBR-II.

  14. Projected shell model study of neutron-rich deformed isotopes of Sr and Zr

    SciTech Connect (OSTI)

    Verma, Sonia; Dar, Parvaiz Ahmad; Devi, Rani [Department of Physics and Electronics, University of Jammu, Jammu-180006 (India)

    2008-02-15

    The projected shell model (PSM) study of {sup 98-102}Sr and {sup 100-104}Zr nuclei is carried out. The reliability of the ground-state wave function is checked by reproducing yrast spectra and electromagnetic properties. The mechanism for the onset of sudden and large deformation at N=60 is worked out. The present piece of research work has unified the two different, or conflicting, early explanations for the onset of deformation at N=60 by the spherical shell model and mean-field theory.

  15. SEM in situ MiniCantilever Beam Bending of U-10Mo/Zr/Al Fuel Elements

    SciTech Connect (OSTI)

    Mook, William; Baldwin, Jon K.; Martinez, Ricardo M.; Mara, Nathan A.

    2014-06-16

    In this work, the fracture behavior of Al/Zr and Zr/dU-10Mo interfaces was measured via the minicantilever bend technique. The energy dissipation rates were found to be approximately 3.7-5 mj/mm2 and 5.9 mj/mm2 for each interface, respectively. It was found that in order to test the Zr/U-10Mo interface, location of the hinge of the cantilever was a key parameter. While this test could be adapted to hot cell use through careful alignment fixturing and measurement of crack lengths with an optical microscope (as opposed to SEM, which was used here out of convenience), machining of the cantilevers via MiniMill in such a way as to locate the interfaces at the cantilever hinge, as well as proper placement of a femtosecond laser notch will continue to be key challenges in a hot cell environment.

  16. Fundamental science investigations to develop a 6-MV laser triggered gas switch for ZR: first annual report.

    SciTech Connect (OSTI)

    Warne, Larry Kevin; Van Den Avyle, James A.; Lehr, Jane Marie; Rose, David; Krompholz, Hermann G.; Vela, Russell; Jorgenson, Roy Eberhardt; Timoshkin, Igor (University of Strathclyde, Glasgow, Scotland); Woodworth, Joseph Ray; Prestwich, Kenneth Randel (Voss Scientific, Albuquerque, NM); Krile, John; Given, Martin (University of Strathclyde, Glasgow, Scotland); McKee, G. Randall; Rosenthal, Stephen Edgar; Struve, Kenneth William; Welch, Dale Robert (Voss Scientific, Albuquerque, NM); Benwell, Andrew L. (University of Missouri-Columbia, Columbia, Missouri); Kovaleski, Scott; LeChien, Keith, R.; Johnson, David (Titan Pulse Sciences Division); Fouracre, R.A. (University of Strathclyde, Glasgow, Scotland); Yeckel, Chris (University of Missouri-Columbia, Columbia, Missouri); Wakeland, Peter Eric; Miller, A. R. (Titan Pulse Sciences Division); Hodge, Keith Conquest (Ktech Corporation, Albuquerque, NM); Pasik, Michael Francis; Savage, Mark Edward; Maenchen, John Eric; Curry, Randy D.; Feltz, Greg; Bliss, David Emery; MacGregor, Scott (University of Strathclyde, Glasgow, Scotland); Corley, J. P. (Ktech Corporation, Albuquerque, NM); Anaya, Victor (Ktech Corporation, Albuquerque, NM); Wallace, Zachariah (Ktech Corporation, Albuquerque, NM); Thoma, Carsten (Voss Scientific, Albuquerque, NM); Neuber, Andreas. (Texas Tech University, Lubbock, TX)

    2007-03-01

    In October 2005, an intensive three-year Laser Triggered Gas Switch (LTGS) development program was initiated to investigate and solve observed performance and reliability issues with the LTGS for ZR. The approach taken has been one of mission-focused research: to revisit and reassess the design, to establish a fundamental understanding of LTGS operation and failure modes, and to test evolving operational hypotheses. This effort is aimed toward deploying an initial switch for ZR in 2007, on supporting rolling upgrades to ZR as the technology can be developed, and to prepare with scientific understanding for the even higher voltage switches anticipated needed for future high-yield accelerators. The ZR LTGS was identified as a potential area of concern quite early, but since initial assessments performed on a simplified Switch Test Bed (STB) at 5 MV showed 300-shot lifetimes on multiple switch builds, this component was judged acceptable. When the Z{sub 20} engineering module was brought online in October 2003 frequent flashovers of the plastic switch envelope were observed at the increased stresses required to compensate for the programmatically increased ZR load inductance. As of October 2006, there have been 1423 Z{sub 20} shots assessing a variety of LTGS designs. Numerous incremental and fundamental switch design modifications have been investigated. As we continue to investigate the LTGS, the basic science of plastic surface tracking, laser triggering, cascade breakdown, and optics degradation remain high-priority mission-focused research topics. Significant progress has been made and, while the switch does not yet achieve design requirements, we are on the path to develop successively better switches for rolling upgrade improvements to ZR. This report summarizes the work performed in FY 2006 by the large team. A high-level summary is followed by detailed individual topical reports.

  17. Improved high temperature refractory. [MgCr/sub 2/O/sub 4/ composite with ZrO/sub 2/

    DOE Patents [OSTI]

    Singh, J.P.; James, J.; Picciolo, J.J.

    1985-12-10

    A high chromia refractory composite has been developed with improved thermal shock resistance and containing about 5 to 30 wt % of unstabilized ZrO/sub 2/ having a temperature-dependent phase change resulting in large expansion mismatch between the ZrO/sub 2/ and the chromia matrix which causes microcracks to form during cooling in the high chromia matrix. The particle size preferably is primarily between about 0.6 to 5 microns and particularly below about 3 microns with an average size in the order of 1.2 to 1.8 microns.

  18. Coexistence of the Alpha and Delta Phases in As-Cast Uranium-Rich U-Zr

    Office of Scientific and Technical Information (OSTI)

    Alloys (Journal Article) | SciTech Connect Journal Article: Coexistence of the Alpha and Delta Phases in As-Cast Uranium-Rich U-Zr Alloys Citation Details In-Document Search Title: Coexistence of the Alpha and Delta Phases in As-Cast Uranium-Rich U-Zr Alloys Authors: McKeown, J T ; Irukuvarghula, S ; Ahn, S ; Wall, M ; Hsiung, L L ; McDeavitt, S ; Turchi, P A Publication Date: 2012-09-05 OSTI Identifier: 1073796 Report Number(s): LLNL-JRNL-579942 DOE Contract Number: W-7405-ENG-48 Resource

  19. Diffusional Interaction between U-10 wt.% Zr and Fe at 903K, 923K and 953K (630C, 650C, and 680C)

    SciTech Connect (OSTI)

    Park, K Y.; Huang, K.; Paz y Puente, A.; Lee, H. S.; Sencer, B. H.; Kennedy, J. R.

    2014-04-15

    U-Zr metallic fuels cladded in Fe-alloys are being considered for application in an advanced Sodium-Cooled Fast Reactor (SFR) that can recycle the U-Zr fuels and minimize the long-lived actinide waste. To understand the complex fuel-cladding chemical interaction between the U-Zr metallic fuel with Fe-alloys, a systematic multicomponent diffusion study was carried out using solid-to-solid diffusion couples. The U-10 wt.% Zr vs. pure Fe diffusion couples were assembled and annealed at temperatures, 903, 923 and 953K for 96 hours. Development of microstructure, phase constituents, and compositions developed during the thermal anneals were examined by scanning electron microscopy, transmission electron microscopy and X-ray energy dispersive spectroscopy. Complex microstructure consisting of several layers that include phases such as U6Fe, UFe2, ZrFe2, ?-U, ?-U, Zr-precipitates, ?, ? and ? were observed. Multi-phase layers were grouped based on phase constituents and microstructure, and the layer thicknesses were measured to calculate the growth constant and activation energy. The local average compositions through the interaction layer were systematically determined, and employed to construct semi-quantitative diffusion paths on isothermal U-Zr-Fe ternary phase diagrams at respective temperatures. The diffusion paths were examined to qualitatively estimate the diffusional behavior of individual components and their interactions. Furthermore, selected area diffraction analyses were carried out to determine, for the first time, the exact crystal structure and composition of ?, ? and ?-phases. The ?, ? and ?-phases were identified as Pnma(62) Fe(Zr,U), I4/mcm(140) Fe(Zr,U)2, and I4/mcm(140) U3(Zr,Fe), respectively.

  20. Charge trapping of Ge-nanocrystals embedded in TaZrO{sub x} dielectric films

    SciTech Connect (OSTI)

    Lehninger, D. Seidel, P.; Geyer, M.; Schneider, F.; Heitmann, J.; Klemm, V.; Rafaja, D.; Borany, J. von

    2015-01-12

    Ge-nanocrystals (NCs) were synthesized in amorphous TaZrO{sub x} by thermal annealing of co-sputtered Ge-TaZrO{sub x} layers. Formation of spherical shaped Ge-NCs with small variation of size, areal density, and depth distribution was confirmed by high-resolution transmission electron microscopy. The charge storage characteristics of the Ge-NCs were investigated by capacitance-voltage and constant-capacity measurements using metal-insulator-semiconductor structures. Samples with Ge-NCs exhibit a maximum memory window of 5 V by sweeping the bias voltage from −7 V to 7 V and back. Below this maximum, the width of the memory window can be controlled by the bias voltage. The fitted slope of the memory window versus bias voltage characteristics is very close to 1 for samples with one layer Ge-NCs. A second layer Ge-NCs does not result in a second flat stair in the memory window characteristics. Constant-capacity measurements indicate charge storage in trapping centers at the interfaces between the Ge-NCs and the surrounding materials (amorphous matrix/tunneling oxide). Charge loss occurs by thermal detrapping and subsequent band-to-band tunneling. Reference samples without Ge-NCs do not show any memory window.

  1. Magnetic Force Microscopy Study of Zr2Co11 -Based Nanocrystalline Materials: Effect of Mo Addition

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

    Yue, Lanping; Jin, Yunlong; Zhang, Wenyong; Sellmyer, David J.

    2015-01-01

    Tmore » he addition of Molybdenum was used to modify the nanostructure and enhance coercivity of rare-earth-free Zr2Co11-based nanocrystalline permanent magnets. he effect of Mo addition on magnetic domain structures of melt spun nanocrystalline Zr16Co84-xMox(x=0, 0.5, 1, 1.5, and 2.0) ribbons has been investigated. It was found that magnetic properties and local domain structures are strongly influenced by Mo doping. he coercivity of the samples increases with the increase in Mo content (x≤1.5). he maximum energy product(BH)maxincreases with increasingxfrom 0.5 MGOe forx=0to a maximum value of 4.2 MGOe forx=1.5. he smallest domain size with a relatively short magnetic correlation length of 128 nm and largest root-mean-square phase shiftΦrmsvalue of 0.66° are observed for thex=1.5. he optimal Mo addition promotes magnetic domain structure refinement and thus leads to a significant increase in coercivity and energy product in this sample.« less

  2. New Insights into Reaction Mechanisms of Ethanol Steam Reforming on Co-ZrO2

    SciTech Connect (OSTI)

    Sun, Junming; Karim, Ayman M.; Mei, Donghai; Engelhard, Mark H.; Bao, Xinhe; Wang, Yong

    2015-01-01

    The reaction pathway of ethanol steam reforming on Co-ZrO2 has been identified and the active sites associated with each step are proposed. Ethanol is converted to acetaldehyde and then to acetone, followed by acetone steam reforming. More than 90% carbon was found to follow this reaction pathway. N2-Sorption, X-ray Diffraction (XRD), Temperature Programmed Reduction (TPR), in situ X-ray Photoelectron Spectroscopy (XPS), Transmission Electron Microscopy, as well as theoretical Density Functional Theory (DFT) calculations have been employed to identify the structure and functionality of the catalysts, which was further used to correlate their performance in ESR. It was found that metallic cobalt is mainly responsible for the acetone steam reforming reactions; while, CoO and basic sites on the support play a key role in converting ethanol to acetone via dehydrogenation and condensation/ketonization reaction pathways. The current work provides fundamental understanding of the ethanol steam reforming reaction mechanisms on Co-ZrO2 catalysts and sheds light on the rational design of selective and durable ethanol steam reforming catalysts.

  3. ZrN coatings deposited by high power impulse magnetron sputtering and cathodic arc techniques

    SciTech Connect (OSTI)

    Purandare, Yashodhan Ehiasarian, Arutiun; Hovsepian, Papken; Santana, Antonio

    2014-05-15

    Zirconium nitride (ZrN) coatings were deposited on 1??m finish high speed steel and 316L stainless steel test coupons. Cathodic Arc (CA) and High Power Impulse Magnetron Sputtering (HIPIMS) + Unbalanced Magnetron Sputtering (UBM) techniques were utilized to deposit coatings. CA plasmas are known to be rich in metal and gas ions of the depositing species as well as macroparticles (droplets) emitted from the arc sports. Combining HIPIMS technique with UBM in the same deposition process facilitated increased ion bombardment on the depositing species during coating growth maintaining high deposition rate. Prior to coating deposition, substrates were pretreated with Zr{sup +} rich plasma, for both arc deposited and HIPIMS deposited coatings, which led to a very high scratch adhesion value (L{sub C2}) of 100 N. Characterization results revealed the overall thickness of the coatings in the range of 2.5??m with hardness in the range of 3040?GPa depending on the deposition technique. Cross-sectional transmission electron microscopy and tribological experiments such as dry sliding wear tests and corrosion studies have been utilized to study the effects of ion bombardment on the structure and properties of these coatings. In all the cases, HIPIMS assisted UBM deposited coating fared equal or better than the arc deposited coatings, the reasons being discussed in this paper. Thus H+U coatings provide a good alternative to arc deposited where smooth, dense coatings are required and macrodroplets cannot be tolerated.

  4. Precipitation in a CuCrZrMg alloy during aging

    SciTech Connect (OSTI)

    Cheng, J.Y. Shen, B.; Yu, F.X.

    2013-07-15

    The precipitation processes in a Cu-0.69Cr-0.10Zr-0.02Mg alloy aged at 450 C and 550 C have been investigated by transmission electron microscopy and high resolution transmission electron microscopy. The precipitation sequence in this alloy aged at 450 C is: supersaturated solid solution ? GuinierPreston zone (fcc Cr-rich phase) ? ordered fcc Cr-rich phase ? ordered bcc Cr-rich phase. The precipitation sequence in this alloy aged at 550 C is: supersaturated solid solution ? ordered fcc Cr-rich phase ? ordered bcc Cr-rich phase. In the evolution of decomposition, the orientation relationship between the precipitates and the Cu matrix changes from cube-on-cube to NishiyamaWassermann orientation. The ordering of Cr-rich precipitates facilitates the formation of the bcc precipitates and promotes the development of NishiyamaWassermann orientation. - Highlights: Two different precipitation sequences in the CuCrZrMg alloy are proposed. The changes in orientation relationship of the precipitates are presented. The roles of ordering and coherent interface of the precipitates are discussed.

  5. Synthesis and characterization of rare earth doped ZrO{sub 2} nanophosphors

    SciTech Connect (OSTI)

    Agrawal, Sadhana E-mail: jsvikasdubey@gmail.com; Dubey, Vikas E-mail: jsvikasdubey@gmail.com

    2014-10-24

    In this paper, we reports synthesis, characterization and thermoluminescence (TL) glow curves of europium and dysprosium activated zirconium dioxide (ZrO{sub 2}: Eu{sup 3+}, Dy{sup 3+}) phosphor with variable concentration of europium and fixed concentration of dysprosium. The sample was prepared by the Solid state method; thereafter, the TL glow curves were recorded for different concentration of europium with 20 min UV exposure at a heating rate of 6.7C/s. The trapping parameters for synthesized phosphors of ZrO{sub 2}: Eu{sup 3+}, Dy{sup 3+} have been calculated by using a peak shape method. The sample was characterized for structural analysis by XRD (X-ray diffraction) and morphological analysis by FEGSEM (field emission gun scanning electron microscope) and FTIR (Fourier transform infrared spectroscopy). The effect of variable europium concentration and fixed dysprosium concentration on TL studies were interpreted and the formation of trap depth and reproducibility of prepared phosphor were analyzed by TL glow curves. The peak temperature on TL less than 200C shows the formation of deep trapping in prepared sample. The high temperature peak shows the less fading and more stability in prepared sample.

  6. Determination of the displacement energy of O, Si and Zr under electron beam irradiation

    SciTech Connect (OSTI)

    Edmondson, Philip D; Weber, William J; Namavar, Fereydoon; Zhang, Yanwen

    2012-01-01

    The response of nanocrystalline, stabilizer-free cubic zirconia thin films on a Si substrate to electron beam irradiation with energies of 4, 110 and 200 keV and fluences up to {approx}1.5 x 10{sup 22} e m{sup -2} has been studied to determine the displacement energies. The 110 and 200 keV irradiations were performed in situ using a transmission electron microscope; the 4 keV irradiations were performed ex situ using an electron gun. In all three irradiations, no structural modification of the zirconia was observed, despite the high fluxes and fluences. However the Si substrate on which the zirconia film was deposited was amorphized under the 200 keV electron irradiation. Examination of the electron-solid interactions reveals that the kinetic energy transfer from the 200 keV electrons to the silicon lattice is sufficient to cause atomic displacements, resulting in amorphization. The kinetic energy transfer from the 200 keV electrons to the oxygen sub-lattice of the zirconia may be sufficient to induce defect production, however, no evidence of defect production was observed. The displacement cross-section value of Zr was found to be {approx}400 times greater than that of O indicating that the O atoms are effectively screened from the electrons by the Zr atoms, and, therefore, the displacement of O is inefficient.

  7. Determination of the Displacement Energies of O, Si and Zr Under Electron Beam Irradiation

    SciTech Connect (OSTI)

    Edmondson, P. D.; Weber, William J.; Namavar, Fereydoon; Zhang, Yanwen

    2012-03-01

    The response of nanocrystalline, stabilizer-free cubic zirconia thin films on a Si substrate to electron beam irradiation with energies of 4, 110 and 200 keV and fluences up to ~1.5 x 10e m has been studied to determine the displacement energies. The 110 and 200 keV irradiations were performed in situ using a transmission electron microscope; the 4 keV irradiations were performed ex situ using an electron gun. In all three irradiations, no structural modification of the zirconia was observed, despite the high fluxes and fluences. However the Si substrate on which the zirconia film was deposited was amorphized under the 200 keV electron irradiation. Examination of the electronsolid interactions reveals that the kinetic energy transfer from the 200 keV electrons to the silicon lattice is sufficient to cause atomic displacements, resulting in amorphization. The kinetic energy transfer from the 200 keV electrons to the oxygen sub-lattice of the zirconia may be sufficient to induce defect production, however, no evidence of defect production was observed. The displacement cross-section value of Zr was found to be ~400 times greater than that of O indicating that the O atoms are effectively screened from the electrons by the Zr atoms, and, therefore, the displacement of O is inefficient.

  8. Synthesis of ZrO{sub 2} nanoparticles by hydrothermal treatment

    SciTech Connect (OSTI)

    Machmudah, Siti Widiyastuti, W. Prastuti, Okky Putri Nurtono, Tantular Winardi, Sugeng; Wahyudiono,; Kanda, Hideki; Goto, Motonobu

    2014-02-24

    Zirconium oxide (zirconia, ZrO{sub 2}) is the most common material used for electrolyte of solid oxide fuel cells (SOFCs). Zirconia has attracted attention for applications in optical coatings, buffer layers for growing superconductors, thermal-shield, corrosion resistant coatings, ionic conductors, and oxygen sensors, and for potential applications including transparent optical devices and electrochemical capacitor electrodes, fuel cells, catalysts, and advanced ceramics. In this work, zirconia particles were synthesized from ZrCl{sub 4} precursor with hydrothermal treatment in a batch reactor. Hydrothermal treatment may allow obtaining nanoparticles and sintered materials with controlled chemical and structural characteristics. Hydrothermal treatment was carried out at temperatures of 150 200C with precursor concentration of 0.1 0.5 M. Zirconia particles obtained from this treatment were analyzed by using SEM, PSD and XRD to characterize the morphology, particle size distribution, and crystallinity, respectively. Based on the analysis, the size of zirconia particles were around 200 nm and it became smaller with decreasing precursor concentration. The increasing temperature caused the particles formed having uniform size. Zirconia particles formed by hydrothermal treatment were monoclinic, tetragonal and cubic crystal.

  9. Ordered omega derivatives in (Zr{sub 3}Al)-Nb alloys

    SciTech Connect (OSTI)

    Tewari, R.; Dey, G.K.; Mukhopadhyay, P.; Banerjee, S.; Bendersky, L.A.

    1998-12-31

    Various kinds of phase transformation, viz., spinodal decomposition, omega transformation, precipitation reactions and martensitic transformation can be induced in ternary (Zr{sub 3}Al)-Nb alloys in conditions far removed from equilibrium. Transformation sequences in alloys containing 3% niobium are described and rationalized in terms of some basic tendencies such as phase separation and chemical ordering in the {beta} (bcc) phase and displacive omega and {beta} to {alpha} (hcp) transformations. Microstructures of rapidly solidified alloy showed a distribution of cuboidal (D8{sub 8} phase) particles in the {beta} matrix. The periodic arrangement of these particles along the <100>{sub {beta}} directions was indicative of a spinodal transformation which preceded their formation. The {beta} {r_arrow} D8{sub 8} transformation could be accomplished by the superimposition of three processes, namely, chemical ordering, lattice collapse akin to {omega} transformation and vacancy ordering. During isothermal aging the D8{sub 8} phase transformed into the B8{sub 2} phase. The observed lattice correspondence and transformation morphology suggested that the D8{sub 8} to B8{sub 2} structural change involved the replacement of structural vacancies in the former by zirconium atoms without any reconstitution of the lattice. The evolution of the equilibrium Zr{sub 3}Al (L1{sub 2} structure) phase during prolonged aging were also studied.

  10. The first mixed-halide zirconium cluster compounds: Zr{sub 6}Cl{sub 1.6}I{sub 10.4}Be, Zr{sub 6}Cl{sub 1.3}I{sub 10.7}B, and Zr{sub 6}Cl{sub 11.5}I{sub 1.5}B. Matrix effects and halogen substitution in compact network structures

    SciTech Connect (OSTI)

    Koeckerling, M.; Qi, R.Y.; Corbett, J.D.

    1996-03-13

    Investigations of the effect of halogen size on structure stability have been conducted in well-reduced and heavily interbridged zirconium chloride-iodide cluster systems. The title compounds are obtained in good yields from reactions of Zr, ZrCl{sub 4}, ZrI{sub 4}, and B or Be in sealed Ta tubes for {approximately} 4 weeks at 850 {degrees}C. Single-crystal diffraction at room temperature established these as Zr{sub 6}Cl{sub 1.65(4)}I{sub 10.35(4)}Be and Zr{sub 6}Cl{sub 1.27/(3)}. These are derivatives of the Zr{sub 6}I{sub 12}C and orthorhombic Zr{sub 6}Cl{sub 13}B structures, respectively, the latter containing unusual linear chains of clusters interbridged by Cl{sup i-i} that are in turn interconnected by three-bonded Cl{sup a-a-a} atoms. The random substitution of fractional Cl at specific I sites in the first two, and I for certain Cl in the third, was positionally resolved in all cases. The replacement always occurs at two-bonded X{sup i}, so that single types of halogen are left in sites that interconnected clusters and generate the three-dimensional array. Structural changes seen in both structures are specifically related to relief of X{hor_ellipsis}X crowding in the parent structure (matrix effects). Substitution of Cl for I{sup i} in the Zr{sub 6}I{sub 12}C type greatly reduces intercluster I{hor_ellipsis}I repulsions and allows, among other things, a 0.20 {Angstrom} (5.8*5) reduction in Zr-I{sup 1-i} intercluster bond lengths. Increased Cl{hor_ellipsis}I repulsions caused by I substitution in orthorhombic Zr{sub 6}Cl{sub 11.5}I{sub 1.5}B. Phase widths found are 0{le} x {le} 1.4 for Zr{sub 6}Cl{sub x}I{sub 12-x}Z (Z=B, Be) and 0 {le} x {le} 1.5 for Zr{sub 6}Cl{sub 13-x}I{sub x}B. The limit for iodine substitution in the chlorine-rich rhombohedral Zr{sub 6}Cl{sub 12-x}I{sub x}Be is about x=2.5.

  11. Fuel element design for the enhanced destruction of plutonium in a nuclear reactor

    DOE Patents [OSTI]

    Crawford, Douglas C.; Porter, Douglas L.; Hayes, Steven L.; Hill, Robert N.

    1999-01-01

    A uranium-free fuel for a fast nuclear reactor comprising an alloy of Pu, Zr and Hf, wherein Hf is present in an amount less than about 10% by weight of the alloy. The fuel may be in the form of a Pu alloy surrounded by a Zr--Hf alloy or an alloy of Pu--Zr--Hf or a combination of both.

  12. Fuel element design for the enhanced destruction of plutonium in a nuclear reactor

    DOE Patents [OSTI]

    Crawford, D.C.; Porter, D.L.; Hayes, S.L.; Hill, R.N.

    1999-03-23

    A uranium-free fuel for a fast nuclear reactor comprising an alloy of Pu, Zr and Hf, wherein Hf is present in an amount less than about 10% by weight of the alloy. The fuel may be in the form of a Pu alloy surrounded by a Zr--Hf alloy or an alloy of Pu--Zr--Hf or a combination of both. 7 figs.

  13. The Department of Energy's Management of the Award of a $150 Million Recovery Act Grant to LG Chem Michigan Inc., OAS-RA-13-10

    Energy Savers [EERE]

    Management of the Award of a $150 Million Recovery Act Grant to LG Chem Michigan Inc. OAS-RA-13-10 February 2013 Department of Energy Washington, DC 20585 February 8, 2013 MEMORANDUM FOR THE UNDER SECRETARY OF ENERGY FROM: Gregory H. Friedman Inspector General SUBJECT: INFORMATION: Special Report on "The Department of Energy's Management of the Award of a $150 Million Recovery Act Grant to LG Chem Michigan Inc." BACKGROUND The Department of Energy's Vehicle Technologies Program was

  14. Broad Temperature Pinning Study of 15 mol.% Zr-Added (Gd, Y)-Ba-Cu-O MOCVD Coated Conductors

    SciTech Connect (OSTI)

    Xu, AX; Khatri, N; Liu, YH; Majkic, G; Galstyan, E; Selvamanickam, V; Chen, YM; Lei, CH; Abraimov, D; Hu, XB; Jaroszynski, J; Larbalestier, D

    2015-06-01

    BaZrO3 (BZO) nanocolumns have long been shown to be very effective for raising the pinning force F-p of REBa2Cu3Ox (REBCO, where RE = rare earth) films at high temperatures and recently at low temperatures too. We have successfully incorporated a high density of BZO nanorods into metal organic chemical vapor deposited (MOCVD) REBCO coated conductors via Zr addition. We found that, compared to the 7.5% Zr-added coated conductor, dense BZO nanorod arrays in the 15% Zr-added conductor are effective over the whole temperature range from 77 K down to 4.2 K. We attribute the substantially enhanced J(c) at 30 K to the weak uncorrelated pinning as well as the strong correlated pinning. Meanwhile, by tripling the REBCO layer thickness to similar to 2.8 mu m, the engineering critical current density J(e) at 30 K exceeds J(e) of optimized Nb-Ti wires at 4.2 K.

  15. Intrinsic Nanostructure in Zr2-xFe4Si16-y (x=0.81, y=6.06)

    SciTech Connect (OSTI)

    Smith, G J; Simonson, J W; Orvis, T; Marques, C; Grose, J E; Kistner-Morris, J J; Wu, L; Cho, Kyuil; Kim, Hyong june; Tanatar, Makariy A; Garlea, V O; Prozorov, Ruslan; Zhu, Y; Aronson, M C

    2014-09-17

    We present a study of the crystal structure and physical properties of single crystals of a new Fe-based ternary compound, Zr2?x Fe4Si16?y(x=0.81,y=6.06). Zr1.19 Fe4Si9.94 is a layered compound, where stoichiometric ?-FeSi2-derived slabs are separated by Zr-Si planes with substantial numbers of vacancies. High resolution transmission electron microscopy (HRTEM) experiments show that these Zr-Si layers consist of 3.5nm domains where the Zrand Si vacancies are ordered within a supercell sixteen times the volume of the stoichiometric cell. Within these domains, the occupancies of the Zr and Si sites obey symmetry rules that permit only certain compositions, none of which by themselves reproduce the average composition found in x-ray diffraction experiments. Magnetic susceptibility and magnetization measurements reveal a small but appreciable number of magnetic moments that remain freely fluctuating to 1.8K, while neutron diffraction confirms the absence of bulk magnetic order with a moment of 0.2? B or larger down to 1.5K. Electrical resistivity measurements find that Zr1.19Fe4Si9.94 is metallic, and the modest value of the Sommerfeld coefficient of the specific heat ? = C/T suggests that quasi-particle masses are not particularly strongly enhanced. The onset of superconductivity at Tc 6K results in a partial resistive transition and a small Meissner signal, although a bulk-like transition is found in the specific heat. Sharp peaks in the ac susceptibility signal the interplay of the normal skin depth and the London penetration depth, typical of a system in which nano-sized superconducting grains are separated by a on-superconducting host. Ultra low field differential magnetic susceptibility measurements reveal the presence of a surprisingly large number of trace magnetic and superconducting phases, suggesting that the Zr-Fe-Si ternary system could be a potentially rich source of new bulk superconductor.

  16. Effects of Pt and Zr on the oxidation behavior of FeTbCo magneto-optic films: X-ray photoelectron spectroscopy

    SciTech Connect (OSTI)

    Majumdar, D.; Hatwar, T. K.

    1989-07-01

    We report the effects of Pt and Zr on the oxidation behavior of FeTbCo magneto-optic films. The addition of 10 at. % Pt or Zr increased environmental stability without significantly affecting the magneto-optic properties. X-ray photoelectron spectroscopy was used to study /ital in/ /ital situ/ oxidation of clean FeTbCoPt and FeTbCoZr films under 5/times/10/sup /minus/7/ Torr of oxygen at room temperature. Pt and Zr played different roles in increasing the oxidation resistance of the alloy. In the FeTbCoPt alloy, Pt reduced the oxygen uptake and retarded the oxidation kinetics of Fe. No oxidation of Pt was observed. In the FeTbCoZr alloy, Zr oxidized readily and segregated to the surface to form a protective layer. The Tb/Fe ratio at the surface increased with oxygen exposure in both alloys but at a faster rate in the FeTbCoPt alloy than in the FeTbCoZr alloy.

  17. Effect of Si substrate on interfacial SiO{sub 2} scavenging in HfO{sub 2}/SiO{sub 2}/Si stacks

    SciTech Connect (OSTI)

    Li, Xiuyan, E-mail: xiuyan@adam.t.u-tokyo.ac.jp; Yajima, Takeaki; Nishimura, Tomonori; Nagashio, Kosuke; Toriumi, Akira [Department of Materials Engineering, The University of Tokyo, 7-3-1 Hongo, Tokyo 113-8656 (Japan)

    2014-11-03

    The scavenging kinetics of an ultra-thin SiO{sub 2} interface layer (SiO{sub 2}-IL) in an HfO{sub 2}/SiO{sub 2}/Si stack is discussed by focusing on the substrate effect in addition to oxygen diffusion. {sup 18}O tracing experiments demonstrate that the O-atom moves from the SiO{sub 2}-IL to the HfO{sub 2} layer during scavenging. SiO{sub 2}-IL scavenging with various substrates (Si, SiC, and sapphire) has been found to be significantly different, which suggests that the Si in the substrate is also necessary to continuously cause the scavenging. Based on these findings and thermodynamic considerations, a kinetic model where oxygen vacancy (V{sub O}) transferred from the HfO{sub 2} reacts with the SiO{sub 2}, which is in contact with the Si-substrate, is proposed for the SiO{sub 2}-IL scavenging.

  18. Effect of cerium incorporation into zirconia on the activity ofCu/ZrO2 for methanol synthesis via CO hydrogenation

    SciTech Connect (OSTI)

    Pokrovski, Konstantin A.; Rhodes, Michael D.; Bell, Alexis T.

    2005-08-24

    The effects of Ce incorporation into ZrO2 on the catalyticperformance of Cu/ZrO2 for the hydrogenation of CO have beeninvestigated. A Ce0.3Zr0.7O2 solid solution was synthesized by forcedhydrolysis at low pH. After calcination at 873 K, XRD and Ramanspectroscopy characterization indicated that the Ce0.3Zr0.7O2 had a t''crystal structure. 1.2 wt percent Cu/Ce0.3Zr0.7O2 exhibited H2consumption peaks at low temperature (<473 K) during H2-TPRindicating a significant fraction (~; 70 percent) of Ce4+ is reduced toCe3+. 1.2 wt percent Cu/Ce0.3Zr0.7O2 is 2.7 times more active formethanol synthesis than 1.2 wt percent Cu/m-ZrO2 at 3.0 MPa attemperatures between 473 and 523 K and exhibits a higher selectivity tomethanol. In-situ infrared spectroscopy shows that, analogous toCu/m-ZrO2, the primary surface species on Cu/Ce0.3Zr0.7O2 during COhydrogenation are formate and methoxide species. A shift in the bandposition of the bridged methoxide species indicated that some of thesegroups were bonded to both Zr4+ and Ce3+ cations. For both catalysts, therate-limiting step for methanol synthesis is the reductive elimination ofmethoxide species. The higher rate of methanol synthesis onCu/Ce0.3Zr0.7O2 relative to Cu/m-ZrO2 was primarily due to a ~; 2.4 timeshigher apparent rate constant, kapp, for methoxide hydrogenation, whichis attributed to the higher surface concentration of H atoms on theformer catalyst. The increased capacity of the Ce-containing catalyst isattributed to interactions of H atoms with Ce-O pairs present at thesurface of the oxide phase.

  19. LANL Experience Rolling Zr-Clad LEU-10Mo Foils for AFIP-7

    SciTech Connect (OSTI)

    Hammon, Duncan L.; Clarke, Kester D.; Alexander, David J.; Kennedy, Patrick K.; Edwards, Randall L.; Duffield, Andrew N.; Dombrowski, David E.

    2015-05-29

    The cleaning, canning, rolling and final trimming of Low Enriched Uranium-10 wt. pct. Molybdenum (LEU-10Mo) foils for ATR (Advanced Test Reactor) fuel plates to be used in the AFIP-7 (ATR Full Size Plate In Center Flux Trap Position) experiments are summarized. Six Zr-clad foils were produced from two LEU-10Mo castings supplied to Los Alamos National Laboratory (LANL) by Y-12 National Security Complex. Details of cleaning and canning procedures are provided. Hot- and cold-rolling results are presented, including rolling schedules, images of foils in-process, metallography and local compositions of regions of interest, and details of final foil dimensions and process yield. This report was compiled from the slides for the presentation of the same name given by Duncan Hammon on May 12, 2011 at the AFIP-7 Lessons Learned meeting in Salt Lake City, UT, with Los Alamos National Laboratory document number LA-UR 11-02898.

  20. Optical and mechanical properties of nanocrystalline ZrC thin films grown by pulsed laser deposition.

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

    Craciun, D.; Socol, G.; Lambers, E.; McCumiskey, E. J.; Taylor, C. R.; Martin, C.; Argibay, Nicolas; Craciun, V.; Tanner, D. B.

    2015-01-17

    Thin ZrC films (<500 nm) were grown on (100) Si substrates at a substrate temperature of 500 °C by the pulsed laser deposition (PLD) technique using a KrF excimer laser under different CH4 pressures. Glancing incidence X-ray diffraction showed that films were nanocrystalline, while X-ray reflectivity studies found out films were very dense and exhibited a smooth surface morphology. Optical spectroscopy data shows that the films have high reflectivity (>90%) in the infrared region, characteristic of metallic behavior. Nanoindentation results indicated that films deposited under lower CH4 pressures exhibited slightly higher nanohardness and Young modulus values than films deposited undermore » higher pressures. As a result, tribological characterization revealed that these films exhibited relatively high wear resistance and steady-state friction coefficients on the order of μ = 0.4.« less

  1. Physicochemical investigations of carbon nanofiber supported Cu/ZrO{sub 2} catalyst

    SciTech Connect (OSTI)

    Din, Israf Ud E-mail: maizats@petronas.com.my; Shaharun, Maizatul S. E-mail: maizats@petronas.com.my; Subbarao, Duvvuri; Naeem, A.

    2014-10-24

    Zirconia-promoted copper/carbon nanofiber catalysts (Cu?ZrO{sub 2}/CNF) were prepared by the sequential deposition precipitation method. The Herringbone type of carbon nanofiber GNF-100 (Graphite nanofiber) was used as a catalyst support. Carbon nanofiber was oxidized to (CNF-O) with 5% and 65 % concentration of nitric acid (HNO{sub 3}). The CNF activated with 5% HNO{sub 3} produced higher surface area which is 155 m{sup 2}/g. The catalyst was characterized by X-ray Diffraction (XRD), Fourier Transform Infra-Red (FTIR) and N{sub 2} adsorption-desorption. The results showed that increase of HNO{sub 3} concentration reduced the surface area and porosity of the catalyst.

  2. Optical spectroscopy study of the three-dimensional Dirac semimetal ZrTe5

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

    Chen, R. Y.; Gu, G. D.; Zhang, S. J.; Schneeloch, J. A.; Zhang, C.; Li, Q.; Wang, N. L.

    2015-08-05

    Three-dimensional (3D) topological Dirac materials have been under intensive study recently. The layered compound ZrTe5 has been suggested to be one such material as a result of transport and angle-resolved photoemission spectroscopy experiments. Here, we perform infrared reflectivity measurements to investigate the underlying physics of this material. The derived optical conductivity increases linearly with frequency below normal interband transitions, which provides optical spectroscopic proof of a 3D Dirac semimetal. In addition, the plasma edge shifts dramatically to lower energy upon temperature cooling, which might be due to the shrinking of the lattice parameters. Additionally, an extremely sharp peak shows upmore » in the frequency-dependent optical conductivity, indicating the presence of a Van Hove singularity in the joint density of state.« less

  3. Current scaling of axially radiated power in dynamic hohlraums and dynamic hohlraum load design for ZR.

    SciTech Connect (OSTI)

    Mock, Raymond Cecil; Nash, Thomas J.; Sanford, Thomas W. L.

    2007-03-01

    We present designs for dynamic hohlraum z-pinch loads on the 28 MA, 140 ns driver ZR. The scaling of axially radiated power with current in dynamic hohlraums is reviewed. With adequate stability on ZR this scaling indicates that 30 TW of axially radiated power should be possible. The performance of the dynamic hohlraum load on the 20 MA, 100 ns driver Z is extensively reviewed. The baseline z-pinch load on Z is a nested tungsten wire array imploding onto on-axis foam. Data from a variety of x-ray diagnostics fielded on Z are presented. These diagnostics include x-ray diodes, bolometers, fast x-ray imaging cameras, and crystal spectrometers. Analysis of these data indicates that the peak dynamic radiation temperature on Z is between 250 and 300 eV from a diameter less than 1 mm. Radiation from the dynamic hohlraum itself or from a radiatively driven pellet within the dynamic hohlraum has been used to probe a variety of matter associated with the dynamic hohlraum: the tungsten z-pinch itself, tungsten sliding across the end-on apertures, a titanium foil over the end aperture, and a silicon aerogel end cap. Data showing the existence of asymmetry in radiation emanating from the two ends of the dynamic hohlraum is presented, along with data showing load configurations that mitigate this asymmetry. 1D simulations of the dynamic hohlraum implosion are presented and compared to experimental data. The simulations provide insight into the dynamic hohlraum behavior but are not necessarily a reliable design tool because of the inherently 3D behavior of the imploding nested tungsten wire arrays.

  4. Microstructural characterization of a thin film ZrN diffusion barrier in an As-fabricated U7Mo/Al matrix dispersion fuel plate

    SciTech Connect (OSTI)

    Keiser, Dennis D.; Perez, Emmanuel; Wiencek, Tom; Leenaers, Ann; Van den Berghe, Sven

    2015-03-01

    The United States High Performance Research Reactor Fuel Development program is developing low enriched uranium fuels for application in research and test reactors. One concept utilizes U7 wt.% Mo (U7Mo) fuel particles dispersed in Al matrix, where the fuel particles are coated with a 1 ?m-thick ZrN coating. The ZrN serves as a diffusion barrier to eliminate a deleterious reaction that can occur between U7Mo and Al when a dispersion fuel is irradiated under aggressive reactor conditions. To investigate the final microstructure of a physically-vapor-deposited ZrN coating in a dispersion fuel plate after it was fabricated using a rolling process, characterization samples were taken from a fuel plate that was fabricated at 500 C using ZrN-coated U7Mo particles, Al matrix and AA6061 cladding. Scanning electron and transmission electron microscopy analysis were performed. Data from these analyses will be used to support future microstructural examinations of irradiated fuel plates, in terms of understanding the effects of irradiation on the ZrN microstructure, and to determine the role of diffusion barrier microstructure in eliminating fuel/matrix interactions during irradiation. The as-fabricated coating was determined to be cubic-ZrN (cF8) phase. It exhibited a columnar microstructure comprised of nanometer-sized grains and a region of relatively high porosity, mainly near the Al matrix. Small impurity-containing phases were observed at the U7Mo/ZrN interface, and no interaction zone was observed at the ZrN/Al interface. The bonding between the U7Mo and ZrN appeared to be mechanical in nature. A relatively high level of oxygen was observed in the ZrN coating, extending from the Al matrix in the ZrN coating in decreasing concentration. The above microstructural characteristics are discussed in terms of what may be most optimal for a diffusion barrier in a dispersion fuel plate application.

  5. Hierarchical Na-doped cubic ZrO{sub 2} synthesis by a simple hydrothermal route and its application in biodiesel production

    SciTech Connect (OSTI)

    Lara-Garca, Hugo A.; Romero-Ibarra, Issis C.; Pfeiffer, Heriberto

    2014-10-15

    Hierarchical growth of cubic ZrO{sub 2} phase was successfully synthesized via a simple hydrothermal process in the presence of different surfactants (cationic, non-ionic and anionic) and sodium hydroxide. The structural and microstructural characterizations of different ZrO{sub 2} powders were performed using various techniques, such as X-ray diffraction, transmission electron microscopy, N{sub 2} adsorptiondesorption, scanning electron microscopy and infrared. Results indicated that sodium addition stabilized the cubic ZrO{sub 2} phase by a Na-doping process, independently of the surfactant used. In contrast, microstructural characteristics varied as a function of the surfactant and sodium presence. In addition, water vapor (H{sub 2}O) and carbon dioxide (CO{sub 2}) sorption properties were evaluated on ZrO{sub 2} samples. Results evidenced that sample surface reactivity changed as a function of the sodium content. Finally, this surface reactivity was evaluated on the biodiesel transesterification reaction using the different synthesized samples, obtaining yields of 93%. - Graphical abstract: Hierarchical growth of cubic Na-ZrO{sub 2} phase was synthesized by hydrothermal processes in the presence of surfactants and sodium. Sodium addition stabilized the cubic phase by a Na-doping process, while the microstructural characteristics varied with surfactants. Finally, this surface reactivity was evaluated on the biodiesel transesterification reaction. - Highlights: Cubic-ZrO{sub 2} phase was synthesized via a simple hydrothermal process. ZrO{sub 2} structure and microstructures changed as a function of the surfactant. Cubic-ZrO{sub 2} phase was evaluated on the biodiesel transesterification reaction.

  6. Develop Roll-to-Roll Manufacturing Process of ZrO2 Nanocrystals/Acrylic Nanocomposites for High Refractive Index Applications

    SciTech Connect (OSTI)

    Joshi, Pooran C.; Compton, Brett G.; Li, Jianlin; Jellison, Jr, Gerald Earle; Duty, Chad E; Chen, Zhiyun

    2015-03-24

    The purpose of this Cooperative Research and Development Agreement (CRADA) was to develop and evaluate ZrO2/acrylic nanocomposite coatings for integrated optoelectronic applications. The formulations engineered to be compatible with roll-to-roll process were evaluated in terms of optical and dielectric properties. The uniform distribution of the ZrO2 nanocrystals in the polymer matrix resulted in highly tunable refractive index and dielectric response suitable for advanced photonic and electronic device applications.

  7. Brazing ZrO{sub 2} ceramic to Ti6Al4V alloy using NiCrSiB amorphous filler foil: Interfacial microstructure and joint properties

    SciTech Connect (OSTI)

    Cao, J., E-mail: cao_jian@hit.edu.cn [Shandong Provincial Key Laboratory of Special Welding Technology, Harbin Institute of Technology at Weihai, Weihai 264209 (China); State Key Laboratory of Advanced Welding and Joining, Harbin Institute of Technology, Harbin 150001 (China); Song, X.G., E-mail: song_xiaoguohit@yahoo.com.cn [Shandong Provincial Key Laboratory of Special Welding Technology, Harbin Institute of Technology at Weihai, Weihai 264209 (China); State Key Laboratory of Advanced Welding and Joining, Harbin Institute of Technology, Harbin 150001 (China); Li, C., E-mail: li_chun1989@yahoo.cn [State Key Laboratory of Advanced Welding and Joining, Harbin Institute of Technology, Harbin 150001 (China); Zhao, L.Y., E-mail: Zhao_ly@163.com [State Key Laboratory of Advanced Welding and Joining, Harbin Institute of Technology, Harbin 150001 (China); Feng, J.C., E-mail: feng_jicai@163.com [Shandong Provincial Key Laboratory of Special Welding Technology, Harbin Institute of Technology at Weihai, Weihai 264209 (China); State Key Laboratory of Advanced Welding and Joining, Harbin Institute of Technology, Harbin 150001 (China)

    2013-07-15

    Reliable brazing of ZrO{sub 2} ceramic and Ti6Al4V alloy was achieved using NiCrSiB amorphous filler foil. The interfacial microstructure of ZrO{sub 2}/Ti6Al4V joints was characterized by scanning electron microscope, energy dispersive spectrometer and micro-focused X-ray diffractometer. The effects of brazing temperature on the interfacial microstructure and joining properties of brazed joints were investigated in detail. Active Ti of Ti6Al4V alloy dissolved into molten filler metal and reacted with ZrO{sub 2} ceramic to form a continuous TiO reaction layer, which played an important role in brazing. Various reaction phases including Ti{sub 2}Ni, Ti{sub 5}Si{sub 3} and ?-Ti were formed in brazed joints. With an increasing of brazing temperature, the TiO layer thickened gradually while the Ti{sub 2}Ni amount reduced. Shear test indicated that brazed joints tend to fracture at the interface between ZrO{sub 2} ceramic and brazing seam or Ti{sub 2}Ni intermetallic layer. The maximum average shear strength reached 284.6 MPa when brazed at 1025 C for 10 min. - Graphical Abstract: Interfacial microstructure of ZrO{sub 2}/TC4 joint brazed using NiCrSiB amorphous filler foil was: ZrO{sub 2}/TiO/Ti{sub 2}Ni + ?-Ti + Ti{sub 5}Si{sub 3}/?-Ti/Widmansttten structure/TC4. - Highlights: Brazing of ZrO{sub 2} ceramic and Ti-6Al-4V alloy was achieved. Interfacial microstructure was TiO/Ti{sub 2}Ni + ? + Ti{sub 5}Si{sub 3}/?/Widmansttten structure. The formation of TiO produced the darkening effect of ZrO{sub 2} ceramic. The highest joining strength of 284.6MPa was obtained.

  8. Cs{sub 3}Zr{sub 6}Br{sub 15}Z (Z = C, B): A stuffed rhombohedral perovskite structure of linked clusters

    SciTech Connect (OSTI)

    Qi, Ru-Yi; Corbett, J.D.

    1995-03-29

    The isostructural title compounds are synthesized in good yields form reactions of Zr, ZrBr{sub 4}, CsBr, and Z in sealed Ta tubing for {approximately}3 weeks at 850 {degrees}C. Their single-crystal data refinements established the products as Cs{sub 3.02(7)-}Zr{sub 6}Br{sub 14}C and Cs{sub 3.39(5)}Zr{sub 6}br{sub 15}B (R3c, Z = 6, a = 13.1031 (6), 13.116(1) {angstrom}, c = 35.800(3), 35.980(6) {angstrom}, R(F)/R{sub w} = 5.4/5.9, 5.4/4.4%, respectively). The structure is derived form a three-dimensional [Zr{sub 6}(Z)Br{sub 12}]Br{sub 6/2} network of four-rings (as in ReO{sub 6/2}) twisted into a rhombohedral perovskite analogous to VF{sub 3}. The three necessary Cs{sup +} cations are fractionally distributed over five sites that are far from optimal or common, with either eight asymmetric or only three close bromide neighbors. Refinement of a third Cs{sub 3.18(5)}Zr{sub 6}Br{sub 15}C structure at {minus}50 {degrees}C gave the same result with somewhat smaller positional distributions of the atoms.

  9. Understanding ferromagnetism and optical absorption in 3d transition metal-doped cubic ZrO{sub 2} with the modified Becke-Johnson exchange-correlation functional

    SciTech Connect (OSTI)

    Boujnah, M.; Zaari, H.; El Kenz, A.; Labrim, H.; Benyoussef, A.; Mounkachi, O.

    2014-03-28

    The electronic structure, magnetic, and optical properties in cubic crystalline phase of Zr{sub 1?x}TM{sub x}O{sub 2} (TM?=?V, Mn, Fe, and Co) at x?=?6.25% are studied using density functional theory with the Generalized Gradient Approximation and the modified Becke-Johnson of the exchange-correlation energy and potential. In our calculations, the zirconia is a p-type semiconductor and has a large band gap. We evaluated the possibility of long-range magnetic order for transition metal ions substituting Zr. Our results show that ferromagnetism is the ground state in V, Mn, and Fe-doped ZrO{sub 2} and have a high value of energy in Mn-doped ZrO{sub 2}. However, in Co-doped ZrO{sub 2}, antiferromagnetic ordering is more stable than the ferromagnetic one. The exchange interaction mechanism has been discussed to explain the responsible of this stability. Moreover, it has been found that the V, Mn, and Fe transition metals provide half-metallic properties considered to be the leading cause, responsible for ferromagnetism. Furthermore, the optical absorption spectra in the TM -doped cubic ZrO{sub 2} are investigated.

  10. Characterization of self-propagating formation reactions in Ni/Zr multilayered foils using reaction heats, velocities, and temperature-time profiles

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

    Barron, S. C.; Knepper, R.; Walker, N.; Weihs, T. P.

    2011-01-11

    We report on intermetallic formation reactions in vapor-deposited multilayered foils of Ni/Zr with 70 nm bilayers and overall atomic ratios of Ni:Zr, 2 Ni:Zr, and 7 Ni:2 Zr. The sequence of alloy phase formation and the stored energy is evaluated at slow heating rates (~1 K/s) using differential scanning calorimetry (DSC) traces to 725ºC. All three chemistries initially form a Ni-Zr amorphous phase which crystallizes first to the intermetallic NiZr. The heat of reaction to the final phase is 34-36 kJ/mol atom for all chemistries. Intermetallic formation reactions are also studied at rapid heating rates (greater than 105 K/s) inmore » high temperature, self-propagating reactions which can be ignited in these foils by an electric spark. We find that reaction velocities and maximum reaction temperatures (Tmax) are largely independent of foil chemistry at 0.6 ± 0.1 m/s and 1220 ± 50 K, respectively, and that the measured Tmax is more than 200 K lower than predicted adiabatic temperatures (Tad). The difference between Tmax and Tad is explained by the prediction that transformation to the final intermetallic phases occurs after Tmax and results in the release of 20-30 % of the total heat of reaction and a delay in rapid cooling.« less

  11. In situ observation of defect annihilation in Kr ion-irradiated bulk Fe/amorphous-Fe 2 Zr nanocomposite alloy

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

    Yu, K. Y.; Fan, Z.; Chen, Y.; Song, M.; Liu, Y.; Wang, H.; Kirk, M. A.; Li, M.; Zhang, X.

    2014-08-26

    Enhanced irradiation tolerance in crystalline multilayers has received significant attention lately. However, little is known on the irradiation response of crystal/amorphous nanolayers. We report on in situ Kr ion irradiation studies of a bulk Fe96Zr4 nanocomposite alloy. Irradiation resulted in amorphization of Fe2Zr and formed crystal/amorphous nanolayers. α-Fe layers exhibited drastically lower defect density and size than those in large α-Fe grains. In situ video revealed that mobile dislocation loops in α-Fe layers were confined by the crystal/amorphous interfaces and kept migrating to annihilate other defects. This study provides new insights on the design of irradiation-tolerant crystal/amorphous nanocomposites.

  12. Iron-stabilized nanocrystalline ZrO{sub 2} solid solutions: Synthesis by combustion and thermal stability

    SciTech Connect (OSTI)

    Legorreta Garcia, Felipe; Resende, Valdirene Gonzaga de; De Grave, Eddy; Peigney, Alain; Barnabe, Antoine; Laurent, Christophe

    2009-06-03

    The synthesis of Fe{sup 3+}-stabilized zirconia by the nitrate/urea combustion route was investigated. Using several characterization techniques, including X-ray diffraction, field-emission-gun scanning electron microscopy and notably Moessbauer spectroscopy, it was possible to determine the appropriate amount of urea that allows to obtain a totally stabilized Zr{sub 0.9}Fe{sub 0.1}O{sub 1.95} solid solution. The nanocrystalline zirconia solid solution is mostly tetragonal, but the presence of the cubic phase could not be ruled out. An in-depth study of the thermal stability in air showed that the Fe{sup 3+} solubility in the stabilized solid solution starts to decrease at about 875 deg. C which results in the formation of hematite (possibly containing some Zr{sup 4+}) at the surface of the zirconia grains and further provokes the progressive transformation into the monoclinic zirconia phase.

  13. Assessment of a mechanistic model in U-Pu-Zr metallic alloy fuel fission-gas behavior simulations

    SciTech Connect (OSTI)

    Yun, D.; Rest, J.; Yacout, A. M.

    2012-07-01

    A mechanistic kinetic rate theory model originally developed for the prediction of fission gas behavior in oxide nuclear fuels under steady-state and transient conditions has been assessed to look at its applicability to model fission gas behavior in U-Pu-Zr metallic alloy fuel. In order to capture and validate the underlying physics for irradiated U-Pu-Zr fuels, the mechanistic model was applied to the simulation of fission gas release, fission gas and fission product induced swelling, and the evolution of the gas bubble size distribution in three different fuel zones: the outer {alpha}-U, the intermediate, and the inner {gamma}-U zones. Due to its special microstructural features, the {alpha}-U zone in U-Pu-Zr fuels is believed to contribute the largest fraction of fission gas release among the different fuel zones. It is shown that with the use of small effective grain sizes, the mechanistic model can predict fission gas release that is consistent with (though slightly lower than) experimentally measured data. These simulation results are comparable to the experimentally measured fission gas release since the mechanism of fission gas transport through the densely distributed laminar porosity in the {alpha}-U zone is analogous to the mechanism of fission gas transport through the interconnected gas bubble porosity utilized in the mechanistic model. Detailed gas bubble size distributions predicted with the mechanistic model in both the intermediate zone and the high temperature {gamma}-U zone of U-Pu-Zr fuel are also compared to experimental measurements from available SEM micrographs. These comparisons show good agreements between the simulation results and experimental measurements, and therefore provide crucial guidelines for the selection of key physical parameters required for modeling these two zones. In addition, the results of parametric studies for several key parameters are presented for both the intermediate zone and the {gamma}-U zone simulations. (authors)

  14. Impact of deformation on the atomic structures and dynamics of a Cu-Zr metallic glass: A molecular dynamics study

    SciTech Connect (OSTI)

    Zhang, Y.; Mendelev, M. I.; Wang, C. Z.; Ott, R.; Zhang, F.; Besser, M. F.; Ho, K. M.; Kramer, M. J.

    2014-11-03

    Despite numerous studies on the atomic structures of Cu-Zr metallic glasses (MGs), their inherent structural ordering, e.g., medium-range order (MRO), remains difficult to describe. Specifically lacking is an understanding of how the MRO responds to deformation and the associated changes in atomic mobility. In this paper, we focus on the impact of deformation on MRO and associated effect on diffusion in a well-relaxed Cu64.5Zr35.5 MG by molecular dynamics simulations. The Cu-Zr MG exhibits a larger elastic limit of 0.035 and a yield stress of 3.5 GPa. The cluster alignment method was employed to characterize the icosahedral short-range order (ISRO) and Bergman-type medium-range order (BMRO) in the models upon loading and unloading. From this analysis, we find the disruption of both ISRO and BMRO occurs as the strain reaches about 0.02, well below the elastic limit. Within the elastic limit, the total fractions of ISRO or BMRO can be fully recovered upon unloading. The diffusivity increases six to eight times in regions undergoing plastic deformation, which is due to the dramatic disruption of the ISRO and BMRO. As a result, by mapping the spatial distributions of the mobile atoms, we demonstrate the increase in atomic mobility is due to the extended regions of disrupted ISRO and more importantly BMRO.

  15. Efficient photoluminescence of Dy{sup 3+} at low concentrations in nanocrystalline ZrO{sub 2}

    SciTech Connect (OSTI)

    Diaz-Torres, L.A.; Rosa, E. de la Salas, P.; Romero, V.H.; Angeles-Chavez, C.

    2008-01-15

    Nanocrystalline ZrO{sub 2}:Dy{sup 3+} were prepared by sol-gel and the structural and photoluminescence properties characterized. The crystallite size ranges from 20 to 50 nm and the crystalline phase is a mixture of tetragonal and monoclinic structure controlled by dopant concentration. Strong white light produced by the host emission band centered at {approx}460 nm and two strong Dy{sup 3+} emission bands, blue (488 nm) and yellow (580 nm), under direct excitation at 350 nm were observed. The highest efficiency was obtained for 0.5 mol% of Dy{sup 3+}. Emission is explained in terms of high asymmetry of the host suggesting that Dy{sup 3+} are substituted mainly into Zr{sup 4+} lattice sites at the crystallite surface. Luminescence quenching is explained in terms of cross-relaxation of intermediate Dy{sup 3+} levels. - Graphical abstract: White light emission from {approx}70 nm ZrO{sub 2}:Dy{sup 3+} nanocrystals. The highest efficiency was obtained for 0.5 mol% of dopant and the dominant crystalline structure was monoclinic.

  16. Impact of deformation on the atomic structures and dynamics of a Cu-Zr metallic glass: A molecular dynamics study

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

    Zhang, Y.; Mendelev, M. I.; Wang, C. Z.; Ott, R.; Zhang, F.; Besser, M. F.; Ho, K. M.; Kramer, M. J.

    2014-11-03

    Despite numerous studies on the atomic structures of Cu-Zr metallic glasses (MGs), their inherent structural ordering, e.g., medium-range order (MRO), remains difficult to describe. Specifically lacking is an understanding of how the MRO responds to deformation and the associated changes in atomic mobility. In this paper, we focus on the impact of deformation on MRO and associated effect on diffusion in a well-relaxed Cu64.5Zr35.5 MG by molecular dynamics simulations. The Cu-Zr MG exhibits a larger elastic limit of 0.035 and a yield stress of 3.5 GPa. The cluster alignment method was employed to characterize the icosahedral short-range order (ISRO) andmore » Bergman-type medium-range order (BMRO) in the models upon loading and unloading. From this analysis, we find the disruption of both ISRO and BMRO occurs as the strain reaches about 0.02, well below the elastic limit. Within the elastic limit, the total fractions of ISRO or BMRO can be fully recovered upon unloading. The diffusivity increases six to eight times in regions undergoing plastic deformation, which is due to the dramatic disruption of the ISRO and BMRO. As a result, by mapping the spatial distributions of the mobile atoms, we demonstrate the increase in atomic mobility is due to the extended regions of disrupted ISRO and more importantly BMRO.« less

  17. Effect of Gd and Zr co-substitution on multiferroic properties of BiFeO{sub 3}

    SciTech Connect (OSTI)

    Arora, Manisha Sati, Prakash Chandra Kumar, Manoj

    2014-04-24

    Single phase Bi{sub 1?x}Gd{sub x}Fe{sub 1?y}Zr{sub y}O{sub 3} (x=0.06;y=0, x= 0.10, y=0 and x=0.10,y= 0.03) nanoparticles were prepared to study the combined effect of Gd and Zr substitution on structural, magnetic and optical properties of BiFeO3. Rietveld refinement of X-ray diffraction patterns predicted that sample with x=0.06, y=0 was indexed to rhombohedral structure while samples with x=0.10, y=0 and x=0.10, y=0.03 were crystallized in multiphase (rhombohedral + orthorhombic). Magnetic properties were significantly enhanced with increasing concentration of Gd ions, however, magnetization reduced slightly with addition of 3% Zr ions in the system. Electron spin Resonance analysis indicated that breaking of spin cycloid is the main reason for enhancement of magnetization. Optical properties were investigated and direct band gap was found for all the samples.

  18. Looking for footprint of bulk metallic glass in electronic and phonon heat capacities of Cu{sub 55}Hf{sub 45?x}Ti{sub x} alloys

    SciTech Connect (OSTI)

    Remenyi, G.; Biljakovi?, K.; Stareini?, D.; Dominko, D.; Risti?, R.; Babi?, E.; Figueroa, I. A.; Davies, H. A.

    2014-04-28

    We report on the heat capacity investigation of Cu{sub 55}Hf{sub 45?x}Ti{sub x} metallic glasses. The most appropriate procedure to estimate low temperature electronic and phonon contributions has been determined. Both contributions exhibit monotonous Ti concentration dependence, demonstrating that there is no relation of either the electron density of states at the Fermi level or the Debye temperature to the increased glass forming ability in the Ti concentration range x?=?1530. The thermodynamic parameters (e.g., reduced glass temperature) remain better indicators in assessing the best composition for bulk metallic glass formation.

  19. Excitation functions of the natTa(p,x)178m2Hf and natW(p,x)178m2Hf reactions at energies up to 2600 MeV

    SciTech Connect (OSTI)

    Titarenko, Yu. E.; Batyaev, V. F.; Pavlov, K. V.; Titarenko, A. Yu.; Zhivun, V. M.; Chauzova, M. V.; Ignatyuk, A. V.; Mashnik, Stepan Georgievich; Leray, S.; Boudard, A.; David, J. -C.; Mancusi, D.; Cugnon, J.; Yariv, Y.; Nishihara, K.; Matsuda, N.; Kumawat, H.; Stankovskiy, A. Yu.

    2015-04-29

    Due to potential level of energy intensity 178m2Hf is an extremely interesting isomer. One possible way to produce this isomer is irradiation of natTa or natW samples with high energy protons. Irradiation of natTa or natW samples performed for other purposes provides an opportunity to study the corresponding reactions. This paper presents the 178m2Hf independent production cross sections for both targets measured by the gamma-ray spectrometry method. The reaction excitation functions have been obtained for the proton energies from 40 up to 2600 MeV. The experimental results were compared with calculations by various versions of the intranuclear cascade model in the well-known codes: ISABEL, Bertini, INCL4.5+ABLA07, PHITS, CASCADE07 and CEM03.02. The isomer ratio for the natTa(p,x) 178m2Hf reaction is evaluated on the basis of the available data.

  20. Accelerated development of Zr-containing new generation ferritic steels for advanced nuclear reactors

    SciTech Connect (OSTI)

    Tan, Lizhen; Yang, Ying; Sridharan, K.

    2015-12-01

    The mission of the Nuclear Energy Enabling Technologies (NEET) program is to develop crosscutting technologies for nuclear energy applications. Advanced structural materials with superior performance at elevated temperatures are always desired for nuclear reactors, which can improve reactor economics, safety margins, and design flexibility. They benefit not only new reactors, including advanced light water reactors (LWRs) and fast reactors such as the sodium-cooled fast reactor (SFR) that is primarily designed for management of high-level wastes, but also life extension of the existing fleet when component exchange is needed. Developing and utilizing the modern materials science tools (experimental, theoretical, and computational tools) is an important path to more efficient alloy development and process optimization. The ultimate goal of this project is, with the aid of computational modeling tools, to accelerate the development of Zr-bearing ferritic alloys that can be fabricated using conventional steelmaking methods. The new alloys are expected to have superior high-temperature creep performance and excellent radiation resistance as compared to Grade 91. The designed alloys were fabricated using arc-melting and drop-casting, followed by hot rolling and conventional heat treatments. Comprehensive experimental studies have been conducted on the developed alloys to evaluate their hardness, tensile properties, creep resistance, Charpy impact toughness, and aging resistance, as well as resistance to proton and heavy ion (Fe2+) irradiation.

  1. Wettability of brazing alloys on molybdenum and TZM (Mo-Ti-Zr alloy)

    SciTech Connect (OSTI)

    McDonald, M.M.; Keller, D.L.; Heiple, C.R.; Hofmann, W.E.

    1988-01-01

    Vacuum brazing studies have been performed on molybdenum and TZM (0.5Ti-0.08Zr-Mo). Wettability tests have been conducted for nineteen braze metal filler alloys on molybdenum and thirty-two braze metal filler alloys on TZM over a wide range of temperatures. A wetting index, which is a function of contact angle and braze alloy contact area, was determined for each filler alloy at each brazing temperature. The nature and extent of interaction between the brazing alloys and the base metals was analyzed by conventional metallography, scanning-electron microscopy, and electron microprobe analysis. A comparison is made between the behavior of filler alloys on molybdenum and TZM -- filler alloys consistently exhibited less wettability on TZM than on molybdenum. The lower wettability of TZM is believed to be due to a small amount of titanium in the surface oxide on TZM. Cracking was observed in the base metal under some of the high temperature braze deposits. The cracking is shown to arise from liquid metal embrittlement from nickel in the high temperature braze alloys. 7 refs., 11 figs., 2 tabs.

  2. Prediction of magnetic moment collapse in ZrFe{sub 2} under hydrostatic pressure

    SciTech Connect (OSTI)

    Zhang, Wenxu; Zhang, Wanli

    2015-04-28

    Electronic structure and magnetic properties of ZrFe{sub 2} in the cubic Laves phase are investigated by calculations based on density functional theory. The magnetic moment decreases with the increase of the hydrostatic pressure in an unusual way: Two-step magnetic collapse is predicted. The first one is a continuous change from 1.53??{sub B}/Fe to 0.63??{sub B}/Fe at about 3.6?GPa, and the other is from 0.25??{sub B}/Fe to the nonmagnetic state at about 15?GPa in a first order manner under the local spin density approximation of the exchange correlation potential. A metastable state with intermediate spin moment about 0.15??{sub B}/Fe may exist before that. We understand this process by the changes of density of states during it. The magnetic moment decreases under the pressure in the vicinity of the experimental lattice constant with dlnm/dp=?0.038 GPa{sup ?1}. The spontaneous volume magnetostriction is 3.6%, which is huge enough to find potential applications in magnetostriction actuators and sensors. We suggest that the Invar effect of this compound may be understood when considering the magnetic moment variation according to the magnetostrictive model of Invar.

  3. Origin of high Li? conduction in doped Li?La?Zr?O?? garnets

    SciTech Connect (OSTI)

    Chen, Yan; Rangasamy, Ezhiylmurugan; Liang, Chengdu; An, Ke

    2015-08-06

    Substitution of a native ion in the crystals with a foreign ion that differs in valence (aliovalent doping) has been widely attempted to upgrade solid-state ionic conductors for various charge carriers including O?, H?, Li?, Na?, etc. The doping helps promote the high-conductive framework and dredge the tunnel for fast ion transport. The garnet-type Li?La?Zr?O?? (LLZO) is a fast Li? solid conductor, which received much attention as an electrolyte candidate for all-solid-state lithium ion batteries, showing great potential to offer high energy density and minimize battery safety concerns to meet extensive applications in large energy storage systems such as those for electric vehicles and aerospace. In the Li-stuffed garnet framework of LLZO, the 3D pathway formed by the incompletely occupied tetrahedral sites bridged by a single octahedron enables the superior Li? conductivity. For optimal performance, many aliovalent-doping efforts have been made throughout metal elements (Al?, Ta??) and metalloid elements (Ga?, Te??) in the periodic table with various valences to stabilize the high-conductive phase and increase the Li vacancy concentration.

  4. Formation of a shock deformation induced {omega} phase in Zr 20 Nb alloy

    SciTech Connect (OSTI)

    Dey, G.K.; Tewari, R.; Banerjee, S. . E-mail: sbanerji@magnum.barc.ernet.in; Jyoti, G.; Gupta, S.C.; Joshi, K.D.; Sikka, S.K.

    2004-10-18

    The formation of a plate shaped {omega} phase in Zr-Nb alloy after shock deformation has been studied with a view to ascertaining the nature of this transformation. The orientation relationship between the {beta} and the {omega} lattices was {l_brace}111{r_brace}{sub {beta}}//(0001){sub {omega}} and <11-bar 0>{beta}//<112-bar 0>{omega} which is identical to that seen in case of {omega} phase forming in this alloy on thermal treatment. The experimentally determined habit plane of the plate shaped {omega} phase has been compared with that predicted from the phenomenological theory of martensite formation. A mechanism of transformation involving shear on the <112> planes has been considered. The importance of mechanical instability of the {beta} phase in bringing about this transformation has been investigated. The mechanism of initiation of {omega} transformation has been ascertained by high resolution electron microscopy (HREM) of the {beta} lattice and compared with that happening during {omega} formation in the same alloy by thermal treatment.

  5. Synthesis, crystal structure, and properties of the rhombohedral modification of the thiospinel CuZr{sub 1.86(1)}S{sub 4}

    SciTech Connect (OSTI)

    Dong, Yongkwan; McGuire, Michael A.; Yun, Hoseop; DiSalvo, Francis J.

    2010-03-15

    The rhombohedral modification of the thiospinel, CuZr{sub 1.86(1)}S{sub 4}, has been synthesized by the reaction of the constituent elements in an alkali metal halide flux and structurally characterized by single crystal X-ray diffraction techniques. The title compound crystallizes in the rhombohedral space group D{sub 3d}{sup 5}-R3-barm (no. 166, a=7.3552(2) A, c=35.832(2) A, V=1678.76(13) A{sup 3}, Z=12, and R/wR=0.0239/0.0624). The structure is composed of close packed S layers, with a stacking order of ...ABCBCABABCACAB....along the c axis. The Zr and Cu atoms occupy the octahedral and tetrahedral holes between S layers, respectively. Three different kinds of S-M-S layers exist in the structure: layer I has fully occupied Zr and Cu sites, layer II has fully occupied Zr sites but no Cu, and layer III has partially occupied Zr and fully occupied Cu sites. Transport and optical properties indicate that the title compound is a small band gap (1.26 eV) n-type semiconductor. - Graphical abstract: The projected view of the rhombohedral modification, CuZr{sub 1.86(1)}S{sub 4}, down the [100] direction. Large letters denote the packing sequence of the S atoms (yellow circles) along the c axis. Zr (black circles) and Cu (red circles) atoms occupy the octahedral and tetrahedral holes, respectively, between close packed S layers.

  6. In situ study of the role of substrate temperature during atomic layer deposition of HfO{sub 2} on InP

    SciTech Connect (OSTI)

    Dong, H.; Santosh, K.C.; Qin, X.; Brennan, B.; McDonnell, S.; Kim, J.; Zhernokletov, D.; Hinkle, C. L.; Cho, K.; Wallace, R. M.; Department of Physics, University of Texas at Dallas, Richardson, Texas 75080

    2013-10-21

    The dependence of the “self cleaning” effect of the substrate oxides on substrate temperature during atomic layer deposition (ALD) of HfO{sub 2} on various chemically treated and native oxide InP (100) substrates is investigated using in situ X-ray photoelectron spectroscopy. The removal of In-oxide is found to be more efficient at higher ALD temperatures. The P oxidation states on native oxide and acid etched samples are seen to change, with the total P-oxide concentration remaining constant, after 10 cycles of ALD HfO{sub 2} at different temperatures. An (NH{sub 4}){sub 2} S treatment is seen to effectively remove native oxides and passivate the InP surfaces independent of substrate temperature studied (200 °C, 250 °C and 300 °C) before and after the ALD process. Density functional theory modeling provides insight into the mechanism of the changes in the P-oxide chemical states.

  7. High quality HfO{sub 2}/p-GaSb(001) metal-oxide-semiconductor capacitors with 0.8?nm equivalent oxide thickness

    SciTech Connect (OSTI)

    Barth, Michael; Datta, Suman; Bruce Rayner, G.; McDonnell, Stephen; Wallace, Robert M.; Bennett, Brian R.; Engel-Herbert, Roman

    2014-12-01

    We investigate in-situ cleaning of GaSb surfaces and its effect on the electrical performance of p-type GaSb metal-oxide-semiconductor capacitor (MOSCAP) using a remote hydrogen plasma. Ultrathin HfO{sub 2} films grown by atomic layer deposition were used as a high permittivity gate dielectric. Compared to conventional ex-situ chemical cleaning methods, the in-situ GaSb surface treatment resulted in a drastic improvement in the impedance characteristics of the MOSCAPs, directly evidencing a much lower interface trap density and enhanced Fermi level movement efficiency. We demonstrate that by using a combination of ex-situ and in-situ surface cleaning steps, aggressively scaled HfO{sub 2}/p-GaSb MOSCAP structures with a low equivalent oxide thickness of 0.8?nm and efficient gate modulation of the surface potential are achieved, allowing to push the Fermi level far away from the valence band edge high up into the band gap of GaSb.

  8. X-ray photoelectron spectroscopy and ultraviolet photoelectron spectroscopy investigation of Al-related dipole at the HfO{sub 2}/Si interface

    SciTech Connect (OSTI)

    Zhu, L. Q.; Barrett, N.; Jegou, P.

    2009-01-15

    The presence of an ultrathin oxide layer at the high-k/SiO{sub 2} interface may result in an interfacial dipole related to the specific high-k dielectric used for the gate stacks. 1 nm HfO{sub 2}/x nmAl{sub 2}O{sub 3}/SiO{sub 2}/Si stacks with different x values (x=0, 0.4, 0.8, 1.2) have been prepared by atomic layer deposition. Using photoelectron spectroscopy, an Al-related interfacial dipole in the HfO{sub 2}/Al{sub 2}O{sub 3}/SiO{sub 2} gate stack has been identified. X-ray photoelectron spectroscopy analysis shows that the dipole is correlated with the formation of an interfacial Al-silicate. The dipole is located at the Al-silicate interface between Al{sub 2}O{sub 3} and SiO{sub 2}, and its strength increases with the increase in Al{sub 2}O{sub 3} thickness because of Al silicate growth. Such Al-related interfacial dipole should have potential applications in future positive metal-oxide-semiconductor devices.

  9. Dispersion of UO{sub 2}F{sub 2} aerosol and HF vapor in the operating floor during winter ventilation at the Paducah Gaseous Diffusion Plant

    SciTech Connect (OSTI)

    Kim, S.H.; Chen, N.C.J.; Taleyarkhan, R.P.; Keith, K.D.; Schmidt, R.W.; Carter, J.C.

    1996-12-30

    The gaseous diffusion process is currently employed at two plants in the US: the Paducah Gaseous Diffusion Plant and the Portsmouth Gaseous Diffusion Plant. As part of a facility-wide safety evaluation, a postulated design basis accident involving large line-rupture induced releases of uranium hexafluoride (UF{sub 6}) into the process building of a gaseous diffusion plant (GDP) is evaluated. When UF{sub 6} is released into the atmosphere, it undergoes an exothermic chemical reaction with moisture (H{sub 2}O) in the air to form vaporized hydrogen fluoride (HF) and aerosolized uranyl fluoride (UO{sub 2}F{sub 2}). These reactants disperse in the process building and transport through the building ventilation system. The ventilation system draws outside air into the process building, distributes it evenly throughout the building, and discharges it to the atmosphere at an elevated temperature. Since air is recirculated from the cell floor area to the operating floor, issues concerning in-building worker safety and evacuation need to be addressed. Therefore, the objective of this study is to evaluate the transport of HF vapor and UO{sub 2}F{sub 2} aerosols throughout the operating floor area following B-line break accident in the cell floor area.

  10. Hydrothermal synthesis and afterglow luminescence properties of hollow SnO{sub 2}:Sm{sup 3+},Zr{sup 4+} spheres for potential application in drug delivery

    SciTech Connect (OSTI)

    Feng, Pengfei; Zhang, Jiachi Qin, Qingsong; Hu, Rui; Wang, Yuhua

    2014-02-01

    Highlights: We designed a novel afterglow labeling material SnO{sub 2}:Sm{sup 3+},Zr{sup 4+} for the first time. Hollow SnO{sub 2}:Sm{sup 3+},Zr{sup 4+} spheres with afterglow were prepared by hydrothermal method. Hollow SnO{sub 2}:Sm{sup 3+},Zr{sup 4+} is a potential afterglow labeling medium for drug delivery. - Abstract: A novel afterglow labeling material SnO{sub 2}:Sm{sup 3+},Zr{sup 4+} with hollow sphere shape and intense afterglow luminescence is prepared by hydrothermal method at 180 C for the first time. The morphology and the sphere growth process of this material are investigated by scanning electron microscopy in detail. The afterglow measurement shows that this hydrothermal obtained material exhibits obvious red afterglow luminescence (550700 nm) of Sm{sup 3+} which can last for 542 s (0.32 mcd/m{sup 2}). The depth of traps in this hydrothermal obtained material is calculated to be as shallow as 0.58 eV. The results demonstrate that although it is necessary to further improve the afterglow performance of the hydrothermal derived hollow SnO{sub 2}:Sm{sup 3+},Zr{sup 4+} spheres, it still can be regarded as a potential afterglow labeling medium for drug delivery.

  11. Synthesis, Crystal Structure, and Properties of the Rhomboheral Modification of the Thiospinel CuZr1.86(1)S4

    SciTech Connect (OSTI)

    Dong, Yongkwan; McGuire, Michael A; Hoseop, Yun; DiSalvo, Francis J.

    2009-01-01

    The rhombohedral modification of the thiospinel, CuZr{sub 1.86(1)}S{sub 4}, has been synthesized by the reaction of the constituent elements in an alkali metal halide flux and structurally characterized by single crystal X-ray diffraction techniques. The title compound crystallizes in the rhombohedral space group D{sub 3d}{sup 5}-R{bar 3}m (166, a=7.3552(2) {angstrom}, c=35.832(2) {angstrom}, V=1678.76(13) {angstrom}{sup 3}, Z=12, and R/wR=0.0239/0.0624). The structure is composed of close packed S layers, with a stacking order of ABCBCABABCACAB along the c axis. The Zr and Cu atoms occupy the octahedral and tetrahedral holes between S layers, respectively. Three different kinds of S-M-S layers exist in the structure: layer I has fully occupied Zr and Cu sites, layer II has fully occupied Zr sites but no Cu, and layer III has partially occupied Zr and fully occupied Cu sites. Transport and optical properties indicate that the title compound is a small band gap (1.26 eV) n-type semiconductor.

  12. Localization of vacancies and mobility of lithium ions in Li{sub 2}ZrO{sub 3} as obtained by {sup 6,7}Li NMR

    SciTech Connect (OSTI)

    Baklanova, Ya. V., E-mail: baklanovay@ihim.uran.ru [Institute of Solid State Chemistry, Ural Branch of the Russian Academy of Sciences, 91 Pervomaiskaya str., 620990 Ekaterinburg (Russian Federation); Arapova, I. Yu.; Buzlukov, A.L.; Gerashenko, A.P.; Verkhovskii, S.V.; Mikhalev, K.N. [Institute of Metal Physics, Ural Branch of the Russian Academy of Sciences, 18 Kovalevskaya str., 620990 Ekaterinburg (Russian Federation); Denisova, T.A.; Shein, I.R.; Maksimova, L.G. [Institute of Solid State Chemistry, Ural Branch of the Russian Academy of Sciences, 91 Pervomaiskaya str., 620990 Ekaterinburg (Russian Federation)

    2013-12-15

    The {sup 6,7}Li NMR spectra and the {sup 7}Li spinlattice relaxation rate were measured on polycrystalline samples of Li{sub 2}ZrO{sub 3}, synthesized at 1050 K and 1300 K. The {sup 7}Li NMR lines were attributed to corresponding structural positions of lithium Li1 and Li2 by comparing the EFG components with those obtained in the first-principles calculations of the charge density in Li{sub 2}ZrO{sub 3}. For both samples the line width of the central {sup 7}Li transition and the spinlattice relaxation time decrease abruptly at the temperature increasing above ?500 K, whereas the EFG parameters are averaged (??{sub Q}?=42 (5) kHz) owing to thermally activated diffusion of lithium ions. - Graphical abstract: Path of lithium ion hopping in lithium zirconate Li{sub 2}ZrO{sub 3}. - Highlights: Polycrystalline samples Li{sub 2}ZrO{sub 3} with monoclinic crystal structure synthesized at different temperatures were investigated by {sup 6,7}Li NMR spectroscopy. Two {sup 6,7}Li NMR lines were attributed to the specific structural positions Li1 and Li2. The distribution of vacancies was clarified for both lithium sites. The activation energy and pathways of lithium diffusion in Li{sub 2}ZrO{sub 3} were defined.

  13. Analysis of wear track and debris of stir cast LM13/Zr composite at elevated temperatures

    SciTech Connect (OSTI)

    Panwar, Ranvir Singh, E-mail: ranvir.panwar@thapar.edu; Pandey, O.P., E-mail: oppandey@thapar.edu

    2013-01-15

    Particulate reinforced aluminum metal matrix composite is in high demand in automobile industry where the operational conditions vary from low to high temperature. In order to understand the wear mode at elevated temperature, this study was planned. For this purpose we developed a metal matrix composite containing aluminum alloy (LM13) as matrix and zircon sand as particulate reinforcement by stir casting process. Different amounts of zircon sand (5, 10, 15 and 20 wt.%) were incorporated in the matrix to study the effect of reinforcement on the wear resistance. Dispersion of zircon sand particles in the matrix was confirmed by using optical microscopy. Sliding wear tests were done to study the durability of the composite with respect to the base alloy. The effects of load and temperature on wear behavior from room temperature to 300 Degree-Sign C were studied to understand the wear mechanism deeply. Surface morphology of the worn surfaces after the wear tests as well as wear debris was observed under scanning electron microscope. Mild to severe wear transition was noticed in tests at high temperature and high load. However, there is interesting change in wear behavior of the composite near the critical temperature of the composite. All the observed behavior has been explained with reference to the observed microstructure of the wear track and debris. - Highlights: Black-Right-Pointing-Pointer Good interfacial bonding between zircon sand particles and Al matrix was observed. Black-Right-Pointing-Pointer The effect of temperature on the wear behavior of LM13/Zr composites was studied. Black-Right-Pointing-Pointer Wear resistance of the composite was improved with addition of zircon sand. Black-Right-Pointing-Pointer Transition temperature from mild to severe wear also improved in composite. Black-Right-Pointing-Pointer SEM analysis of the tracks and debris was done to establish wear mechanism.

  14. Generation of WO{sub 3}-ZrO{sub 2} catalysts from solid solutions of tungsten in zirconia

    SciTech Connect (OSTI)

    Cortes-Jacome, Maria A.; Angeles-Chavez, Carlos; Bokhimi, Xim; Toledo-Antonio, J.A. . E-mail: jtoledo@imp.mx

    2006-08-15

    WO{sub 3}-ZrO{sub 2} samples were obtained by precipitating zirconium oxynitrate in presence of WO{sub 4} {sup =} species in solution from ammonium metatungstate at pH=10.0. Samples were characterized by atomic absorption spectroscopy, thermal analysis, X-ray diffraction, Raman spectroscopy, X-ray photoelectron spectroscopy, high-resolution transmission electron microscopy and energy filtered-TEM. The ammonia retained in the dried sample produced a reductive atmosphere to generate W{sup 5+} ions coexisting with W{sup 6+} ions to produce a solid solution of tungsten in the zirconia lattice to stabilize the zirconia tetragonal phase when the sample was annealed at 560 deg. C. When the sample was annealed at 800 deg. C, the W atoms near crystallite surface were oxidized to W{sup 6+}, producing patches of WO{sub 3} on the zirconia crystallite. The HR-TEM analysis confirmed the existence of the solid solution when the sample was annealed at 560 deg. C, and two types of crystalline regions were identified: One with nearly spherical morphology, an average diameter of 8 nm and the atomic distribution of tetragonal zirconia. The second one had a non-spherical morphology with well-faceted faces and dimensions larger than 30 nm, and the atom distribution of tetragonal zirconia. When samples were annealed at 800 deg. C two different zirconia crystallites were formed: Those where only part of the dissolved tungsten atoms segregated to crystallite surface producing patches of nanocrystalline WO{sub 3} on the crystallite surface of tetragonal zirconia stabilized with tungsten. The second type corresponded to monoclinic zirconia crystallites with patches of nanocrystalline WO{sub 3} on their surface. The tungsten segregation gave rise to the WO{sub 3}-ZrO{sub 2} catalysts. - Graphical abstract: WO {sub x} -ZrO{sub 2} catalysts were obtained by precipitating zirconium oxynitrate in presence of WO{sub 4} {sup =}species. Initially, the W atoms remained inside the crystallite after annealing at 560 deg. C in a reduced oxidation state (W{sup 5+}), whereas, the sample annealed at 800 deg. C, the W atoms migrate from the bulk to the surface, forming a layer of W atoms on a ZrO{sub 2} core, with the consequent oxidation to W{sup 6+}, producing patches of nanocrystalline WO{sub 3} with dimension smaller than 3 nm.

  15. Collapse of ferromagnetism in itinerant-electron system: A magnetic, transport properties, and high pressure study of (Hf,Ta)Fe{sub 2} compounds

    SciTech Connect (OSTI)

    Diop, L. V. B. Isnard, O.; Kastil, J.; Arnold, Z.; Kamarad, J.

    2014-10-28

    The magnetism and transport properties were studied for Laves (Hf,Ta)Fe{sub 2} itinerant-electron compounds, which exhibit a temperature-induced first-order transition from the ferromagnetic (FM) to the antiferromagnetic (AFM) state upon heating. At finite temperatures, the field-induced metamagnetic phase transition between the AFM and FM has considerable effects on the transport properties of these model metamagnetic compounds. A large negative magnetoresistance of about 14% is observed in accordance with the metamagnetic transition. The magnetic phase diagram is determined for the Laves Hf{sub 1?x}Ta{sub x}Fe{sub 2} series and its Ta concentration dependence discussed. An unusual behavior is revealed in the paramagnetic state of intermediate compositions, it gives rise to the rapid increase and saturation of the local spin fluctuations of the 3d electrons. This new result is analysed in the frame of the theory of Moriya. For a chosen composition Hf{sub 0.825}Ta{sub 0.175}Fe{sub 2}, exhibiting such remarkable features, a detailed investigation is carried out under hydrostatic pressure up to 1?GPa in order to investigate the volume effect on the magnetic properties. With increasing pressure, the magnetic transition temperature T{sub FM-AFM} from ferromagnetic to antiferromagnetic order decreases strongly non-linearly and disappears at a critical pressure of 0.75?GPa. In the pressure-induced AFM state, the field-induced first-order AFM-FM transition appears and the complex temperature dependence of the AFM-FM transition field is explained by the contribution from both the magnetic and elastic energies caused by the significant temperature variation of the amplitude of the local Fe magnetic moment. The application of an external pressure leads also to the progressive decrease of the Nel temperature T{sub N}. In addition, a large pressure effect on the spontaneous magnetization M{sub S} for pressures below 0.45?GPa, dln(M{sub s})/dP?=??6.3??10{sup ?2?}GPa{sup ?1} was discovered. The presented results are consistent with Moriya's theoretical predictions and can significantly help to better understand the underlying physics of itinerant electron magnetic systems nowadays widely investigated for both fundamental and applications purposes.

  16. Germanium-induced stabilization of a very high-k zirconia phase in ZrO{sub 2}/GeO{sub 2} gate stacks

    SciTech Connect (OSTI)

    Tsipas, P.; Volkos, S. N.; Sotiropoulos, A.; Galata, S. F.; Mavrou, G.; Tsoutsou, D.; Panayiotatos, Y.; Dimoulas, A.; Marchiori, C.; Fompeyrine, J.

    2008-08-25

    Electrical data on ZrO{sub 2}/GeO{sub 2} stacks prepared by atomic oxygen beam deposition on Ge at 225 deg. C reveal a relatively weak dependence of the stack equivalent oxide thickness upon the ZrO{sub 2} thickness. This trend points to a very high zirconia dielectric permittivity (k) value which is estimated to be around 44. This is indicative of zirconia crystallization into a tetragonal phase which is also supported by x-ray diffraction data. X-ray photoelectron spectroscopy analysis is in line with the assumption that due to a finite GeO{sub 2} decomposition, Ge is incorporated into the growing ZrO{sub 2}, thus, stabilizing the high-k tetragonal phase.

  17. 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.

  18. High temperature refractory of MgCr.sub.2 O.sub.4 matrix and unstabilized ZrO.sub.2 particles

    DOE Patents [OSTI]

    Singh, Jitendra P. (Bolingbrook, IL); James, Jawana J. (West Lafayette, IN); Picciolo, John J. (Lockport, IL)

    1987-01-01

    A high chromia refractory composite has been developed with improved thermal shock resistance and containing about 5-30 wt. % of unstabilized ZrO.sub.2 having a temperature-dependent phase change resulting in large expansion mismatch between the ZrO.sub.2 and the chromia matrix which causes microcracks to form during cooling in the high chromia matrix. The particle size preferably is primarily between about 0.6-5 microns and particularly below about 3 microns with an average size in the order of 1.2-1.8 microns.

  19. Surface and interfacial reaction study of half cycle atomic layer deposited HfO{sub 2} on chemically treated GaSb surfaces

    SciTech Connect (OSTI)

    Zhernokletov, D. M.; Dong, H.; Brennan, B.; Kim, J.; Yakimov, M.; Tokranov, V.; Oktyabrsky, S.; Wallace, R. M.; Department of Materials Science and Engineering, University of Texas at Dallas, Richardson, Texas 75080

    2013-04-01

    An in situ half-cycle atomic layer deposition/X-ray photoelectron spectroscopy (XPS) study was conducted in order to investigate the evolution of the HfO{sub 2} dielectric interface with GaSb(100) surfaces after sulfur passivation and HCl etching, designed to remove the native oxides. With the first pulses of tetrakis(dimethylamido)hafnium(IV) and water, a decrease in the concentration of antimony oxide states present on the HCl-etched surface is observed, while antimony sulfur states diminished below the XPS detection limit on sulfur passivated surface. An increase in the amount of gallium oxide/sulfide is seen, suggesting oxygen or sulfur transfers from antimony to gallium during antimony oxides/sulfides decomposition.

  20. Comparison of the vacuum-ultraviolet radiation response of HfO{sub 2}/SiO{sub 2}/Si dielectric stacks with SiO{sub 2}/Si

    SciTech Connect (OSTI)

    Upadhyaya, G. S.; Shohet, J. L.

    2007-02-12

    Vacuum ultraviolet (vuv) emitted during plasma processing degrades dielectrics by generating electron-hole pairs. VUV-induced charging of SiO{sub 2}/p-Si and HfO{sub 2}/SiO{sub 2}/p-Si dielectric stacks are compared. For SiO{sub 2}/p-Si, charging is observed for photon energies >15 eV by ionization of dielectric atoms from photoinjected electrons. In HfO{sub 2}/SiO{sub 2}/p-Si, charging is observed for photon >10 eV and is due to ionization by photoinjected electrons and by H{sup +} trapping in the HfO{sub 2}/SiO{sub 2} bulk. Hydrogen appears during annealing at the Si-SiO{sub 2} interface forming Si-H, which, during irradiation, is depassivated by photoinjected electrons. The authors conclude that dielectric charging in thin oxides (<10 nm) occurs more easily in HfO{sub 2}/SiO{sub 2} than in SiO{sub 2}.

  1. In-operando hard X-ray photoelectron spectroscopy study on the impact of current compliance and switching cycles on oxygen and carbon defects in resistive switching Ti/HfO{sub 2}/TiN cells

    SciTech Connect (OSTI)

    Sowinska, Malgorzata Bertaud, Thomas; Walczyk, Damian; Calka, Pauline; Walczyk, Christian; Thiess, Sebastian; Alff, Lambert; Schroeder, Thomas

    2014-05-28

    In this study, direct experimental materials science evidence of the important theoretical prediction for resistive random access memory (RRAM) technologies that a critical amount of oxygen vacancies is needed to establish stable resistive switching in metal-oxide-metal samples is presented. In detail, a novel in-operando hard X-ray photoelectron spectroscopy technique is applied to non-destructively investigates the influence of the current compliance and direct current voltage sweep cycles on the Ti/HfO{sub 2} interface chemistry and physics of resistive switching Ti/HfO{sub 2}/TiN cells. These studies indeed confirm that current compliance is a critical parameter to control the amount of oxygen vacancies in the conducting filaments in the oxide layer during the RRAM cell operation to achieve stable switching. Furthermore, clear carbon segregation towards the Ti/HfO{sub 2} interface under electrical stress is visible. Since carbon impurities impact the oxygen vacancy defect population under resistive switching, this dynamic carbon segregation to the Ti/HfO{sub 2} interface is suspected to negatively influence RRAM device endurance. Therefore, these results indicate that the RRAM materials engineering needs to include all impurities in the dielectric layer in order to achieve reliable device performance.

  2. Laser shock peening on Zr-based bulk metallic glass and its effect on plasticity: Experiment and modeling

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

    Cao, Yunfeng; Xie, Xie; Antonaglia, James; Winiarski, Bartlomiej; Wang, Gongyao; Shin, Yung C.; Withers, Philip J.; Dahmen, Karin A.; Liaw, Peter K.

    2015-05-20

    The Zr-based bulk metallic glasses (BMGs) are a new family of attractive materials with good glass-forming ability and excellent mechanical properties, such as high strength and excellent wear resistance, which make them candidates for structural and biomedical materials. Although the mechanical behavior of BMGs has been widely investigated, their deformation mechanisms are still poorly understood. In particular, their poor ductility significantly impedes their industrial application. In the present work, we show that the ductility of Zr-based BMGs with nearly zero plasticity is improved by a laser shock peening technique. Moreover, we map the distribution of laser-induced residual stresses via themore » micro-slot cutting method, and then predict them using a three dimensional finite-element method coupled with a confined plasma model. Reasonable agreement is achieved between the experimental and modeling results. The analysis of serrated flow reveals plentiful and useful information of the underlying deformation process. As a result, our work provides an easy and effective way to extend the ductility of intrinsically-brittle BMGs, opening up wider applications of these materials.« less

  3. Laser shock peening on Zr-based bulk metallic glass and its effect on plasticity: Experiment and modeling

    SciTech Connect (OSTI)

    Cao, Yunfeng; Xie, Xie; Antonaglia, James; Winiarski, Bartlomiej; Wang, Gongyao; Shin, Yung C.; Withers, Philip J.; Dahmen, Karin A.; Liaw, Peter K.

    2015-05-20

    The Zr-based bulk metallic glasses (BMGs) are a new family of attractive materials with good glass-forming ability and excellent mechanical properties, such as high strength and excellent wear resistance, which make them candidates for structural and biomedical materials. Although the mechanical behavior of BMGs has been widely investigated, their deformation mechanisms are still poorly understood. In particular, their poor ductility significantly impedes their industrial application. In the present work, we show that the ductility of Zr-based BMGs with nearly zero plasticity is improved by a laser shock peening technique. Moreover, we map the distribution of laser-induced residual stresses via the micro-slot cutting method, and then predict them using a three dimensional finite-element method coupled with a confined plasma model. Reasonable agreement is achieved between the experimental and modeling results. The analysis of serrated flow reveals plentiful and useful information of the underlying deformation process. As a result, our work provides an easy and effective way to extend the ductility of intrinsically-brittle BMGs, opening up wider applications of these materials.

  4. Magnetoinfrared spectroscopy of Landau levels and Zeeman splitting of three-dimensional massless Dirac Fermions in ZrTe5

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

    R. Y. Chen; Gu, G. D.; Chen, Z. G.; Song, X. -Y.; Schneeloch, J. A.; Wang, F.; Wang, N. L.

    2015-10-22

    We present a magnetoinfrared spectroscopy study on a newly identified three-dimensional (3D) Dirac semimetal ZrTe5. We observe clear transitions between Landau levels and their further splitting under a magnetic field. Both the sequence of transitions and their field dependence follow quantitatively the relation expected for 3D massless Dirac fermions. The measurement also reveals an exceptionally low magnetic field needed to drive the compound into its quantum limit, demonstrating that ZrTe5 is an extremely clean system and ideal platform for studying 3D Dirac fermions. The splitting of the Landau levels provides direct, bulk spectroscopic evidence that a relatively weak magnetic fieldmore » can produce a sizable Zeeman effect on the 3D Dirac fermions, which lifts the spin degeneracy of Landau levels. As a result, our analysis indicates that the compound evolves from a Dirac semimetal into a topological line-node semimetal under the current magnetic field configuration.« less

  5. Salishan-RA-AMTRTS.pptx

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

    the use cases and requirements that prioritize the R&D activities associated with the ATM RTS. * Augment the community in their efforts to develop sharable AMT RTS components....

  6. A340RA.pdf

    National Nuclear Security Administration (NNSA)

  7. A341RA.pdf

    National Nuclear Security Administration (NNSA)

  8. A342RA.pdf

    National Nuclear Security Administration (NNSA)

  9. A354RA.pdf

    National Nuclear Security Administration (NNSA)

  10. A355RA.pdf

    National Nuclear Security Administration (NNSA)

  11. A356RA.pdf

    National Nuclear Security Administration (NNSA)

  12. A357RA.pdf

    National Nuclear Security Administration (NNSA)

  13. RA10(82911).pdf

    National Nuclear Security Administration (NNSA)

  14. RA9(112210).pdf

    National Nuclear Security Administration (NNSA)

  15. South Carolina Energy Office … Energy Efficiency and Conservation Block Grant Program Funds Provided by the American Recovery and Reinvestment Act of 2009, OAS-RA-13-21

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

    South Carolina Energy Office - Energy Efficiency and Conservation Block Grant Program Funds Provided by the American Recovery and Reinvestment Act of 2009 OAS-RA-13-21 May 2013 Department of Energy Washington, DC 20585 May 14, 2013 MEMORANDUM FOR THE PROGRAM MANAGER, WEATHERIZATION AND INTERGOVERNMENTAL PROGRAM, OFFICE OF ENERGY EFFICIENCY AND RENEWABLE ENERGY FROM: Jack Rouch, Director Central Audits Division Office of Inspector General SUBJECT: INFORMATION: Examination Report on "South

  16. The Department of Energy's Energy Efficiency and Conservation Block Grant Program Funded under the American Recovery and Reinvestment Act for the City of Philadelphia, OAS-RA-12-09

    Energy Savers [EERE]

    Energy Efficiency and Conservation Block Grant Program Funded under the American Recovery and Reinvestment Act for the City of Philadelphia OAS-RA-12-09 April 2012 Department of Energy Washington, DC 20585 April 23, 2012 MEMORANDUM FOR THE ASSISTANT SECRETARY FOR ENERGY EFFICIENCY AND RENEWABLE ENERGY FROM: George W. Collard Assistant Inspector General for Audits Office of Inspector General SUBJECT: INFORMATION: Audit Report on "The Department of Energy's Energy Efficiency and Conservation

  17. The Department of Energy's Energy Efficiency and Conservation Block Grant Program Funded under the American Recovery and Reinvestment Act for the State of Pennsylvania, OAS-RA-L-11-11

    Energy Savers [EERE]

    State of Pennsylvania OAS-RA-L-11-11 September 2011 Department of Energy Washington, DC 20585 September 23, 2011 MEMORANDUM FOR PROGRAM MANAGER, OFFICE OF WEATHERIZATION AND INTERGOVERNMENTAL PROGRAM MANAGER, GOLDEN FIELD OFFICE FROM: Joanne Hill, Director Energy Audits Division Office of Inspector General SUBJECT: INFORMATION: Audit Report on "The Department of Energy's Energy Efficiency and Conservation Block Grant Program Funded under the American Recovery and Reinvestment Act for the

  18. Examination Report on "The Department of Energy's American Recovery and Reinvestment Act of 2009 Energy Efficiency and Conservation Block Grant Program - Efficiency Maine Trust", OAS-RA-13-04

    Office of Environmental Management (EM)

    The Department of Energy's American Recovery and Reinvestment Act Energy Efficiency and Conservation Block Grant Program - Efficiency Maine Trust OAS-RA-13-04 November 2012 Department of Energy Washington, DC 20585 November 8, 2012 MEMORANDUM FOR THE ASSISTANT SECRETARY FOR ENERGY EFFICIENCY AND RENEWABLE ENERGY FROM: Rickey R. Hass Deputy Inspector General for Audits and Inspections Office of Inspector General SUBJECT: INFORMATION: Examination Report on "The Department of Energy's American

  19. Follow-up on the Department of Energy's Implementation of the Advanced Batteries and Hybrid Components Program Funded under the American Recovery and Reinvestment Act, OAS-RA-L-12-05

    Office of Environmental Management (EM)

    Follow-up on the Department of Energy's Implementation of the Advanced Batteries and Hybrid Components Program Funded under the American Recovery and Reinvestment Act OAS-RA-L-12-05 July 2012 Department of Energy Washington, DC 20585 July 10, 2012 MEMORANDUM FOR THE DIRECTOR, NATIONAL ENERGY TECHNOLOGY LABORATORY FROM: Joanne Hill, Director Central Audits Division Office of Inspector General SUBJECT: INFORMATION: Audit Report on "Follow-up on the Department of Energy's Implementation of the

  20. City of Los Angeles  Energy Efficiency and Conservation Block Grant Program Funds Provided by the American Recovery and Reinvestment Act of 2009, OAS-RA-13-12

    Office of Environmental Management (EM)

    City of Los Angeles - Energy Efficiency and Conservation Block Grant Program Funds Provided by the American Recovery and Reinvestment Act of 2009 OAS-RA-13-12 February 2013 Department of Energy Washington, DC 20585 February 19, 2013 MEMORANDUM FOR THE ASSISTANT SECRETARY FOR ENERGY EFFICIENCY AND RENEWABLE ENERGY FROM: Rickey R. Hass Deputy Inspector General for Audits and Inspections Office of Inspector General SUBJECT: INFORMATION: Examination Report on "City of Los Angeles  Energy

  1. Community Action Partnership of the Greater Dayton Area … Weatherization Assistance Program Funds Provided by the American Recovery and Reinvestment Act of 2009, OAS-RA-11-18

    Office of Environmental Management (EM)

    Community Action Partnership of the Greater Dayton Area - Weatherization Assistance Program Funds Provided by the American Recovery and Reinvestment Act of 2009 OAS-RA-11-18 September 2011 Department of Energy Washington, DC 20585 September 29, 2011 MEMORANDUM FOR THE ACTING ASSISTANT SECRETARY FOR ENERGY EFFICIENCY AND RENEWABLE ENERGY FROM: Rickey R. Hass Deputy Inspector General for Audits and Inspections Office of Inspector General SUBJECT: INFORMATION: Examination Report on "Community

  2. Connecticut Department of Energy and Environmental Protection  Energy Efficiency and Conservation Block Grant Program Funds Provided by the American Recovery and Reinvestment Act of 2009, OAS-RA-13-14

    Office of Environmental Management (EM)

    Connecticut Department of Energy and Environmental Protection  Energy Efficiency and Conservation Block Grant Program Funds Provided by the American Recovery and Reinvestment Act of 2009 OAS-RA-13-14 February 2013 Department of Energy Washington, DC 20585 February 28, 2013 MEMORANDUM FOR THE ASSISTANT SECRETARY FOR ENERGY EFFICIENCY AND RENEWABLE ENERGY FROM: Rickey R. Hass Deputy Inspector General for Audits and Inspections Office of Inspector General SUBJECT: INFORMATION: Examination Report

  3. Developing 226Ra and 227Ac age-dating techniques for nuclear forensics to gain insight from concordant and non-concordant radiochronometers

    SciTech Connect (OSTI)

    Kayzar, Theresa M.; Williams, Ross W.

    2015-09-26

    The model age or ‘date of purification’ of a nuclear material is an important nuclear forensic signature. In this study, chemical separation and MC-ICP-MS measurement techniques were developed for 226 Ra and 227Ac: grand-daughter nuclides in the 238U and 235U decay chains respectively. The 230Th-234U, 226Ra-238U, 231Pa-235U, and 227Ac-235U radiochronometers were used to calculate model ages for CRM-U100 standard reference material and two highly-enriched pieces of uranium metal from the International Technical Working Group Round Robin 3 Exercise. In conclusion, the results demonstrate the accuracy of the 226Ra-238U and 227Ac-235U chronometers and provide information about nuclide migration during uranium processing.

  4. From fluorite to pyrochlore: Characterisation of local and average structure of neodymium zirconate, Nd{sub 2}Zr{sub 2}O{sub 7}

    SciTech Connect (OSTI)

    Payne, Julia L.; Tucker, Matthew G.; Evans, Ivana Radosavljević

    2013-09-15

    The structural characterisation of Nd{sub 2}Zr{sub 2}O{sub 7} prepared via a precursor route was performed using a combination of local and average structure probes (neutron total scattering, X-ray and neutron diffraction). We present the first total scattering and reverse Monte Carlo (RMC) modelling study of Nd{sub 2}Zr{sub 2}O{sub 7}, which provides compelling evidence for the adoption of a disordered fluorite-type structure by Nd{sub 2}Zr{sub 2}O{sub 7} prepared by a low-temperature precursor route. Annealing the material at high temperatures leads to a transformation to a pyrochlore-type structure; however, Rietveld refinement using powder neutron diffraction data shows that the oxygen sublattice retains a degree of disorder. - Graphical abstract: Display Omitted - Highlights: • The first total scattering and RMC modelling study of Nd{sub 2}Zr{sub 2}O{sub 7}. • Demonstration that the synthetic route influences the crystal structure adopted. • Insight into the importance of total scattering in studies of complex superstructures, especially for nano-sized materials.

  5. Strong blue and white photoluminescence emission of BaZrO{sub 3} undoped and lanthanide doped phosphor for light emitting diodes application

    SciTech Connect (OSTI)

    Romero, V.H.; De la Rosa, E.; Salas, P.; Velazquez-Salazar, J.J.

    2012-12-15

    In this paper, we report the obtained strong broadband blue photoluminescence (PL) emission centered at 427 nm for undoped BaZrO{sub 3} observed after 266 nm excitation of submicron crystals prepared by hydrothermal/calcinations method. This emission is enhanced with the introduction of Tm{sup 3+} ions and is stronger than the characteristic PL blue emission of such lanthanide. The proposed mechanism of relaxation for host lattice emission is based on the presence of oxygen vacancies produced during the synthesis process and the charge compensation due to the difference in the electron valence between dopant and substituted ion in the host. Brilliant white light emission with a color coordinate of (x=0.29, y=0.32) was observed by combining the blue PL emission from the host with the green and red PL emission from Tb{sup 3+} and Eu{sup 3+} ions, respectively. The color coordinate can be tuned by changing the ratio between blue, green and red band by changing the concentration of lanthanides. - Graphical abstract: Strong blue emission from undoped BaZrO{sub 3} phosphor and white light emission by doping with Tb{sup 3+} (green) and Eu{sup 3+} (red) after 266 nm excitation. Highlights: Black-Right-Pointing-Pointer Blue emission from BaZrO{sub 3} phosphor. Black-Right-Pointing-Pointer Blue emission enhanced with Tm{sup 3+}. Black-Right-Pointing-Pointer White light from BaZrO{sup 3+} phosphor.

  6. Comment on Correlation and relativistic effects in U metal and U-Zr alloy: Validation of ab initio approaches

    SciTech Connect (OSTI)

    Sderlind, P. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Landa, A. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Turchi, P. E. A. [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

    2014-10-01

    In a recent paper, Xie et al. [Phys. Rev. B 88, 235128 (2013)], report that the density-functional theory (DFT) with the so-called DFT plus Hubbard U (DFT+U) modification improves energetics, volumes, and formation enthalpies over the standard form of DFT for uranium metal and U-Zr alloys. Also, spin-orbit coupling (SOC) was argued to advance the aforementioned properties in these systems. We demonstrate, contrarily, that neither the Hubbard U approach nor SOC is necessary for a correct description of uranium metal and U-Zr alloys. We further illustrate that the combination of DFT+U and SOC in the projector augmented-wave calculations by Xie et al. results in unrealistically large volume expansions, particularly for ?-U, in stark contrast to all previous calculations for elemental uranium. This in turn may also explain why the DFT+U with SOC model predicts negative enthalpy of mixing in the U-Zr alloy system contradicting conventional DFT as well as one of the main features of the experimental U-Zr phase diagram. The assertion by Xie et al. that DFT+U is an improvement over DFT for these systems is illustrated to be incorrect.

  7. Preparation and Characterization of Au-ZrO2-SiO2 Nanocomposite Spheres and Their Application in Enrichment and Detection of Organophosphorus Agents

    SciTech Connect (OSTI)

    Yang, Yuqi; Tu, Haiyang; Zhang, Aidong; Du, Dan; Lin, Yuehe

    2012-03-01

    Au-ZrO{sub 2}-SiO{sub 2} nanocomposite spheres were synthesized and used as selective sorbents for the solid-phase extraction (SPE) of orananophosphorous agents. A non-enzymatic electrochemical sensor based on an Au-ZrO{sub 2}-SiO{sub 2} modified electrode was developed for selective detection of orananophosphorous pesticides (OPs). The Au-ZrO{sub 2}-SiO{sub 2} nanocomposite spheres were synthesized by hydrolysis and condensation of zirconia n-butoxide (TBOZ) on the surface of SiO{sub 2} spheres and then introduction of gold nanoparticles on the surface. Transmission electron microscope and X-ray photoelectron spectroscopy were performed to characterize the formation of the nanocomposite sphere. Fast extraction of OP was achieved by Au-ZrO{sub 2}-SiO{sub 2} modified electrode within 5 min via the specific affinity between zirconia and phosphoric group. The assay yields a broad concentration range of paraoxon-ethyl from 1.0 to 500 ng/mL{sup -1} with a detection limit 0.5 ng/mL{sup -1}. This selective and sensitive method holds great promise for the enrichment and detection of OPs.

  8. Characterization and oxidation states of Cu and Pd in Pd?CuO/ZnO/ZrO[subscript 2] catalysts for hydrogen production by methanol partial oxidation

    SciTech Connect (OSTI)

    Schuyten, S.; Guerrero, S.; Miller, J.T.; Shibatae, T.; Wolf, E.E.

    2009-01-30

    Copper and zinc oxide based catalysts prepared by coprecipitation were promoted with palladium and ZrO{sub 2}, and their activity and selectivity for methanol oxidative reforming was measured and characterized by N{sub 2}O decomposition, X-ray absorption spectroscopy, BET, X-ray photoelectron spectroscopy, X-ray diffraction, and temperature programmed reduction. Addition of ZrO{sub 2} increased copper dispersion and surface area, with little effect on activity, while palladium promotion significantly enhanced activity with little change of the catalytic structure. A catalyst promoted with both ZrO{sub 2} and palladium yielded hydrogen below 150 C. EXAFS results under reaction conditions showed that the oxidation state of copper was influenced by palladium in the catalyst bulk. A palladium promoted catalyst contained 90% Cu{sup 0}, while the copper in an unpromoted catalyst was 100% Cu{sup 1+} at the same temperature. Palladium preferentially forms an unstable alloy with copper instead of zinc during reduction, which persists during reaction regardless of copper oxidation state. A 100-h time on stream activity measurement showed growth in copper crystallites and change in copper oxidation state resulting in decreasing activity and selectivity. A kinetic model of the reaction pathway showed that palladium and ZrO{sub 2} promoters lower the activation energy of methanol combustion and steam reforming reactions.

  9. The fluorite-pyrochlore transformation of Ho{sub 2-y}Nd{sub y}Zr{sub 2}O{sub 7}

    SciTech Connect (OSTI)

    Clements, Richard; Hester, James R.; Kennedy, Brendan J.; Ling, Chris D.; Stampfl, Anton P.J.

    2011-08-15

    Twelve members of the Ho{sub 2-y}Nd{sub y}Zr{sub 2}O{sub 7} series, prepared using conventional solid state methods, have been characterised by neutron powder diffraction. Ho{sub 2}Zr{sub 2}O{sub 7} has a defect fluorite structure whereas Nd{sub 2}Zr{sub 2}O{sub 7} is found to adopt the ordered pyrochlore structure with the composition induced fluorite-pyrochlore transformation occurring near y=1. Rietveld analysis on the neutron data for all the compositions reveals an increase in lattice parameter as a function of y across the entire series, with a small discontinuity associated with the transformation. The neutron profile results suggest that domains of pyrochlore-type initially begin to form before crystallising into a separate phase, and therefore that anion and cation ordering processes are distinct. There is a strong correlation between the extent of disorder in the anion sublattice and the x-parameter of 48f oxygen. These results point the way to a better understanding of the stability observed in pyrochlore structures. - Graphical abstract: Neutron diffraction profiles for Nd{sub 2-y}Ho{sub y}Zr{sub 2}O{sub 7} type oxides reveal details of the transformation from the ordered pyrochlore structure (y=0) to the disordered fluorite structure (y=2). Highlights: > Structures of twelve members of the Ho{sub 2-y}Nd{sub y}Zr{sub 2}O{sub 7} series studied using neutron powder diffraction. > Domains of pyrochlore-type materials form at low doping levels. > Higher doping stabilises the pyrochlore. > Anion and cation ordering processes are distinct.

  10. Effect of delivery condition on desorption rate of ZrCo metal hydride bed for fusion fuel cycle

    SciTech Connect (OSTI)

    Kang, H.G.; Yun, S.H.; Chung, D.; Oh, Y.H.; Chang, M.H.; Cho, S.; Chung, H.; Song, K.M.

    2015-03-15

    For the safety of fusion fuel cycle, hydrogen isotope gases including tritium are stored as metal hydride form. To satisfy fueling requirement of fusion machine, rapid delivery from metal hydride bed is one of major factors for the development of tritium storage and delivery system. Desorption from metal hydride depends on the operation scenario by pressure and temperature control of the bed. The effect of operation scenario and pump performance on desorption rate of metal hydride bed was experimentally investigated using ZrCo bed. The results showed that the condition of pre-heating scenario before actual delivery of gas affected the delivery performance. Different pumps were connected to desorption line from bed and the effect of pump capacity on desorption rate were also found to be significant. (authors)

  11. Synthesis and characterization of spherical ZrO{sub 2}:Eu{sup 3+} phosphors by spray pyrolysis process

    SciTech Connect (OSTI)

    Quan, Z.W.; Wang, L.S.; Lin, J. . E-mail: jlin@ns.ciac.jl.cn

    2005-05-18

    Europium doped zirconia (ZrO{sub 2}:Eu{sup 3+}) powder phosphors consisting of spherical, dense and submicrometer size particles were successfully synthesized by a spray drying process followed by a post annealing treatment process. X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FT-IR), thermogravimetric and differential thermal analysis (TG-DTA), scanning electron microscope (SEM), photoluminescence (PL) spectra as well as lifetimes were utilized to characterize the prepared samples. The results of XRD indicated that the samples began to crystallize at 500 deg. C, and the crystallinity increased with increasing the annealing temperature. The powders with metastable tetragonal symmetry were obtained at relatively low temperature. The effects of annealing temperature, the Eu{sup 3+} concentration as well as the morphology on the PL intensity were investigated in this work.

  12. Alternation of the Pd Lattice in Nano-Sized-Pd/ZrO2 Composite during Hydrogen Absorption

    SciTech Connect (OSTI)

    Arachi, Yoshinori; Asai, Takeshi; Emura, Shuichi; Omura, Akira; Nunogaki, Masanobu; Yamaura, Shunichi; Inoue, Akihisa; Arata, Yoshiaki

    2007-02-02

    Structural analysis of high Deuterium absorbed 5 nm Pd particles in dispersed ZrO2 has been carried out using XAFS techniques. X-ray absorption spectra around the Pd K-absorption edge were observed and analyzed. The Pd-Pd bonding distance in the fcc Pd lattice was enlarged by 0.08 {approx} 0.09 A during absorption of deuterium, and it completely reverted to its original state with the release of deuterium while maintaining the crystal lattice symmetry. These changes provide evidence that deuterium locates not on the surface of the Pd particle, but rather within the Pd crystal lattice. XANES spectra clearly indicate that any change in the oxidation state of Pd are not observed, resulting in no reaction of the absorbed Deuterium atoms with Pd atoms. This paper reports the alternation of Pd lattice in nano-sized composite during hydrogen absorption. The possible models of deuterium position in the Pd lattice are also discussed.

  13. Crystal structure and antiferromagnetic ordering of quasi-2D [Cu(HF{sub 2})(pyz){sub 2}]TaF{sub 6} (pyz = pyrazine).

    SciTech Connect (OSTI)

    Manson, J. L.; Schlueter, J. A.; McDonald, R. D.; Singleton, J.; Materials Science Division; Eastern Washington Univ.; LANL

    2010-04-01

    The crystal structure of the title compound was determined by X-ray diffraction at 90 and 295 K. Copper(II) ions are coordinated to four bridging pyz ligands to form square layers in the ab-plane. Bridging HF{sub 2}{sup -} ligands join the layers together along the c-axis to afford a tetragonal, three-dimensional (3D) framework that contains Taf{sub 6}{sup -} anions in every cavity. At 295 K, the pyz rings lie exactly perpendicular to the layers and cooling to 90 K induces a canting of those rings. Magnetically, the compound exhibits 2D antiferromagnetic correlations within the 2D layers with an exchange interaction of -13.1(1) K. Weak interlayer interactions, as mediated by Cu-F-H-F-Cu, leads to long-range magnetic order below 4.2 K. Pulsed-field magnetization data at 0.5 K show a concave curvature with increasing B and reveal a saturation magnetization at 35.4 T.

  14. Effect of current compliance and voltage sweep rate on the resistive switching of HfO{sub 2}/ITO/Invar structure as measured by conductive atomic force microscopy

    SciTech Connect (OSTI)

    Wu, You-Lin Liao, Chun-Wei; Ling, Jing-Jenn

    2014-06-16

    The electrical characterization of HfO{sub 2}/ITO/Invar resistive switching memory structure was studied using conductive atomic force microscopy (AFM) with a semiconductor parameter analyzer, Agilent 4156C. The metal alloy Invar was used as the metal substrate to ensure good ohmic contact with the substrate holder of the AFM. A conductive Pt/Ir AFM tip was placed in direct contact with the HfO{sub 2} surface, such that it acted as the top electrode. Nanoscale current-voltage (I-V) characteristics of the HfO{sub 2}/ITO/Invar structure were measured by applying a ramp voltage through the conductive AFM tip at various current compliances and ramp voltage sweep rates. It was found that the resistance of the low resistance state (RLRS) decreased with increasing current compliance value, but resistance of high resistance state (RHRS) barely changed. However, both the RHRS and RLRS decreased as the voltage sweep rate increased. The reasons for this dependency on current compliance and voltage sweep rate are discussed.

  15. Bio-corrosion and cytotoxicity studies on novel Zr55Co30Ti15 and Cu60Zr20Ti20 metallic glasses

    SciTech Connect (OSTI)

    Vincent, S.; Daiwile, A.; Devi, S. S.; Kramer, M. J.; Besser, M. F.; Murty, B. S.; Bhatt, Jatin

    2014-09-26

    Metallic glasses are a potential and compatible implant candidate for biomedical applications. In the present investigation, a comparative study between novel Zr55Co30Ti15 and Cu60Zr20Ti20 metallic glasses is carried out to evaluate in vitro biocompatibility using simulated body fluids. The bio-corrosion behavior of Zr- and Cu-based metallic glasses in different types of artificial body fluids such as artificial saliva solution, phosphate-buffered saline solution, artificial blood plasma solution, and Hanks balanced saline solution is evaluated using potentiodynamic polarization studies at a constant body temperature of 310.15 K (37 C). Surface morphology of samples after bio-corrosion experiments was observed by scanning electron microscopy. In vitro cytotoxicity test on glassy alloys were performed using human osteosarcoma cell line as per 10993-5 guidelines from International Organization for Standardization. As a result, the comparative study between Zr- and Cu-based glassy alloys provides vital information about the effect of elemental composition on biocompatibility of metallic glasses.

  16. Porosity and biocompatibility study of ceramic implants based on ZrO{sub 2} and Al{sub 2}O{sub 3}

    SciTech Connect (OSTI)

    Litvinova, Larisa E-mail: vshupletsova@mail.ru Shupletsova, Valeria E-mail: vshupletsova@mail.ru Leitsin, Vladimir E-mail: vshupletsova@mail.ru; Vasyliev, Roman E-mail: zoubov77@yahoo.com; Zubov, Dmitry E-mail: zoubov77@yahoo.com; Buyakov, Ales E-mail: kulkov@ms.tsc.ru; Kulkov, Sergey E-mail: kulkov@ms.tsc.ru

    2014-11-14

    The work studies ZrO{sub 2}(Me{sub x}O{sub y})-based porous ceramics produced from the powders consisting of hollow spherical particles. It was shown that the structure is represented by a cellular framework with bimodal porosity consisting of sphere-like large pores and pores that were not filled with the powder particles during the compaction. For such ceramics, the increase of pore volume is accompanied by the increased strain in an elastic area. It was also shown that the porous ZrO{sub 2} ceramics had no acute or chronic cytotoxicity. At the same time, ceramics possess the following osteoconductive properties: adhesion support, spreading, proliferation and osteogenic differentiation of MSCs.

  17. In situ observation of defect annihilation in Kr ion-irradiated bulk Fe/amorphous-Fe 2 Zr nanocomposite alloy

    SciTech Connect (OSTI)

    Yu, K. Y.; Fan, Z.; Chen, Y.; Song, M.; Liu, Y.; Wang, H.; Kirk, M. A.; Li, M.; Zhang, X.

    2014-08-26

    Enhanced irradiation tolerance in crystalline multilayers has received significant attention lately. However, little is known on the irradiation response of crystal/amorphous nanolayers. We report on in situ Kr ion irradiation studies of a bulk Fe96Zr4 nanocomposite alloy. Irradiation resulted in amorphization of Fe2Zr and formed crystal/amorphous nanolayers. ?-Fe layers exhibited drastically lower defect density and size than those in large ?-Fe grains. In situ video revealed that mobile dislocation loops in ?-Fe layers were confined by the crystal/amorphous interfaces and kept migrating to annihilate other defects. This study provides new insights on the design of irradiation-tolerant crystal/amorphous nanocomposites.

  18. Magnetoinfrared spectroscopy of Landau levels and Zeeman splitting of three-dimensional massless Dirac Fermions in ZrTe5

    SciTech Connect (OSTI)

    R. Y. Chen; Gu, G. D.; Chen, Z. G.; Song, X. -Y.; Schneeloch, J. A.; Wang, F.; Wang, N. L.

    2015-10-22

    We present a magnetoinfrared spectroscopy study on a newly identified three-dimensional (3D) Dirac semimetal ZrTe5. We observe clear transitions between Landau levels and their further splitting under a magnetic field. Both the sequence of transitions and their field dependence follow quantitatively the relation expected for 3D massless Dirac fermions. The measurement also reveals an exceptionally low magnetic field needed to drive the compound into its quantum limit, demonstrating that ZrTe5 is an extremely clean system and ideal platform for studying 3D Dirac fermions. The splitting of the Landau levels provides direct, bulk spectroscopic evidence that a relatively weak magnetic field can produce a sizable Zeeman effect on the 3D Dirac fermions, which lifts the spin degeneracy of Landau levels. As a result, our analysis indicates that the compound evolves from a Dirac semimetal into a topological line-node semimetal under the current magnetic field configuration.

  19. DEGRADATION OF SM2ZR2O7 THERMAL BARRIER COATING CAUSED BY CALCIUM-MAGNESIUM-ALUMINUM-SILICON OXIDE (CMAS) DEPOSITION

    SciTech Connect (OSTI)

    Wang, Honglong; Sheng, Zhizhi; Tarwater, Emily; Zhang, Xingxing; Dasgupta, Sudip; Fergus, Jeffrey

    2015-03-16

    Rare earth zirconates are promising materials for use as thermal barrier coatings in gas turbine engines. Among the lanthanide zirconate materials, Sm2Zr2O7 with the pyrochlore structure has lower thermal conductivity and better corrosion resistance against calcium-magnesium-aluminum-silicon oxide (CMAS). In this work, after reaction with CMAS, the pyrochlore structure transforms to the cubic fluorite structure and Ca2Sm8(SiO4)6O2 forms in elongated grain.

  20. Thermodynamic Assessment of Hot Corrosion Mechanisms of Superalloys Hastelloy N and Haynes 242 in Eutectic Mixture of Molten Salts KF and ZrF4

    SciTech Connect (OSTI)

    Michael V. Glazoff

    2012-02-01

    The KF - ZrF4 system was considered for the application as a heat exchange agent in molten salt nuclear reactors (MSRs) beginning with the work carried out at ORNL in early fifties. Based on a combination of excellent properties such as thermal conductivity, viscosity in the molten state, and other thermo-physical and rheological properties, it was selected as one of possible candidates for the nuclear reactor secondary heat exchanger loop.

  1. Influence of crystalline phase and defects in the ZrO{sub 2} nanoparticles synthesized by thermal plasma route on its photocatalytic properties

    SciTech Connect (OSTI)

    Nawale, Ashok B.; Kanhe, Nilesh S.; Bhoraskar, S.V.; Mathe, V.L.; Das, A.K.

    2012-11-15

    Graphical abstract: Thermal plasma synthesized nanophase zirconia showing the blue shift in the band gap of monoclinic phase as found from the photoabsorption spectroscopy was found to be the dominant parameter for the enhancement in its photocatalytic activity. The existence of different defect states and their concentration in as synthesized samples also inferred from the photoabsorption measurements were also found to be responsible for the enhanced photocatalytic activity of the samples. Highlights: ? Phase controlled structural formation of nanophase ZrO{sub 2} by thermal plasma route. ? Enhanced photocatalytic degradation rate of methylene blue dye. ? The blue shift in the band gap of monoclinic phase of nanocrystalline ZrO{sub 2}. ? Existence of different defect states in the as synthesized nano phase ZrO{sub 2}. ? Several competing processes which controls the photocatalytic degradation rate. -- Abstract: The photocatalytic activity of pure ZrO{sub 2} samples, prepared by a thermal plasma route, and characterized by X-ray diffraction technique was tested for the degradation of methylene blue, which is known to be a hazardous dye. Although, all these samples synthesized at different operating pressures of the thermal plasma reactor showed the photocatalytic activity; the sample synthesized at 1.33 bar of operating pressure showed the highest photocatalytic activity. The blue shift in the band gap of monoclinic phase, as observed from the photo-absorption spectroscopy, may be attributed to the enhanced photocatalytic activity. The existence of different defect states and their concentration as, inferred from the photo-absorption measurements were also found to be responsible for the enhanced photocatalytic activity of the as synthesized samples.

  2. Full-length U-xPu-10Zr (x=0, 8, 19 wt%) Fast Reactor Fuel Test in FFTF

    SciTech Connect (OSTI)

    D. L. Porter; H.C. Tsai

    2012-08-01

    The Integral Fast Reactor-1 (IFR-1) experiment performed in the Fast Flux Test Facility (FFTF) was the only U-Pu-10Zr (Pu-0, 8 and 19 wt%) metallic fast reactor test with commercial-length (91.4 cm active fuel column length) conducted to date. With few remaining test reactors there is little opportunity for performing another test with a long active fuel column. The assembly was irradiated to the goal burnup of 10 at.%. The beginning of life (BOL) peak cladding temperature of the hottest pin was 608?C, cooling to 522?C at end of life (EOL). Selected fuel pins were examined non destructively using neutron radiography, precision axial gamma scanning, and both laser and spiral contact cladding profilometry. Destructive exams included plenum gas pressure, volume, and gas composition determinations on a number of pins followed by optical metallography, electron probe microanalysis (EPMA), and alpha and beta gamma autoradiography on a single U-19Pu-10Zr pin. The post-irradiation examinations (PIEs) showed very few differences compared to the short-pin (34.3 cm fuel column) testing performed on fuels of similar composition in Experimental Breeder Reactor-II (EBR-II). The fuel column grew axially slightly less than observed in the short pins, but with the same pattern of decreasing growth with increasing Pu content. There was a difference in the fuel-cladding chemical interaction (FCCI) in that the maximum cladding penetration by interdiffusion with fuel/fission products did not occur at the top of the fuel column where the cladding temperature is highest, as observed in EBR-II tests. Instead, the more exaggerated fission-rate profile of the FFTF pins resulted in a peak FCCI at ~0.7 X/L axial location along the fuel column. This resulted from a lower production of rare earth fission products higher in the fuel column as well as a much smaller delta-T between fuel center and cladding, and therefore less FCCI, despite the higher cladding temperature. This behavior could actually help extend the life of a fuel pin in a long pin reactor design to a higher peak fuel burnup.

  3. Structure-activity relationship of Au-ZrO2 catalyst on formation of hydroxyl groups and its influence on CO oxidation

    SciTech Connect (OSTI)

    Karwacki, Christopher J; Ganesh, Panchapakesan; Kent, P. R. C.; Gordon, Wesley O; Peterson, Gregory W; Niu, Jun Jie; Gogotsi, Yury G.

    2013-01-01

    The effect of changes in morphology and surface hydroxyl species upon thermal treatment of zirconia on the oxidation activity of Au/ZrO2 catalyst was studied. We observed using transmission Fourier transform infrared (FTIR) spectroscopy progressive changes in the presence of monodentate (type I), bidentate (type II) and hydrogen bridged species (type III) for each of the thermally treated (85 to 500 C) supports consisting of bare zirconia and Au/ZrO2 catalysts. Furthermore, structural changes in zirconia were accompanied by an increase in crystal size (7 to 58 nm) and contraction of the supports porosity (SSA 532 to 7 m2 g 1) with increasing thermal treatment. Deposition of gold nanoparticles under similar preparation conditions on different thermally treated zirconia resulted in changes in the mean gold cluster size, ranging from 3.7 to 5.6 nm. Changes in the surface hydroxyl species, support structure and size of the gold centers are important parameters responsible for the observed decrease (>90%) in CO conversion activity for the Au/ZrO2 catalysts. Density functional theory calculations provide evidence of increased CO binding to Au nanoclusters in the presence of surface hydroxyls on zirconia, which increases charge transfer at the perimeter of the gold nanocluster on zirconia support. This further helps in reducing a model CO-oxidation reaction barrier in the presence of surface hydroxyls. This work demonstrates the need to understand the structure activity relationship of both the support and active particles for the design of catalytic materials.

  4. Structure-Activity Relationship of Au/ZrO2 Catalyst on Formation of Hydroxyl Groups and Its Influence on CO Oxidation

    SciTech Connect (OSTI)

    Karwacki, Christopher J; Ganesh, Panchapakesan; Gordon, Wesley O; Peterson, Gregory W; Niu, Jun Jie; Gogotsi, Yury G.

    2013-01-01

    The effect of changes in morphology and surface hydroxyl species upon thermal treatment of zirconia on the oxidation activity of Au/ZrO2 catalyst was studied. We observed using transmission fourier transform infrared (FTIR) spectroscopy progressive changes in the presence of monodentate (type I), bidentate (type II) and hydrogen bridged species (type III) for each of the thermally treated (85 to 500 C) supports consisting of bare zirconia and Au/ZrO2 catalysts. Furthermore, structural changes in zirconia were accompanied by an increase in crystal size (7 to 58 nm) and contraction of the supports porosity (SSA 532 to 7 m2/g) with increasing thermal treatment. Deposition of gold nanoparticles under similar preparation conditions on different thermally treated zirconia resulted in changes in the mean gold cluster size, ranging from 3.7 to 5.6 nm. Changes in the surface hydroxyl species, support structure and size of the gold centers are important parameters responsible for the observed decrease (> 90 %) in CO conversion activity for the Au/ZrO2 catalysts. Density functional theory calculations provide evidence of increased CO binding to Au nanoclusters in the presence of surface hydroxyls on zirconia, which increases charge transfer at the perimeter of the gold nanocluster on zirconia support. This further helps in reducing a model CO-oxidation reaction barrier in the presence of surface hydroxyls. This work demonstrates the need to understand the structure-activity relationship of both the support and active particles for the design of catalytic materials.

  5. Casting evaluation of U-Zr alloy system fuel slug for SFR prepared by injection casting method

    SciTech Connect (OSTI)

    Song, Hoon; Kim, Jong-Hwan; Kim, Ki-Hwan; Lee, Chan-Bock

    2013-07-01

    Metal fuel slugs of U-Pu-Zr alloys for Sodium-cooled Fast Reactor (SFR) have conventionally been fabricated by a vacuum injection casting method. Recently, management of minor actinides (MA) became an important issue because direct disposal of the long-lived MA can be a long-term burden for a tentative repository up to several hundreds of thousand years. In order to recycle transuranic elements (TRU) retained in spent nuclear fuel, remote fabrication capability in a shielded hot cell should be prepared. Moreover, generation of long-lived radioactive wastes and loss of volatile species should be minimized during the recycled fuel fabrication step. In order to prevent the evaporation of volatile elements such as Am, alternative fabrication methods of metal fuel slugs have been studied applying gravity casting, and improved injection casting in KAERI, including melting under inert atmosphere. And then, metal fuel slugs were examined with casting soundness, density, chemical analysis, particle size distribution and microstructural characteristics. Based on these results there is a high level of confidence that Am losses will also be effectively controlled by application of a modest amount of overpressure. A surrogate fuel slug was generally soundly cast by improved injection casting method, melted fuel material under inert atmosphere.

  6. Poster — Thur Eve — 64: Preliminary investigation of arc configurations for optimal sparing of normal tissue in hypofractionated stereotactic radiotherapy (HF-SRT) of multiple brain metastases using a 5mm interdigitating micro-multileaf collimator

    SciTech Connect (OSTI)

    Leavens, C; Wronski, M; Lee, YK; Ruschin, M; Soliman, H; Sahgal, A

    2014-08-15

    Purpose: To evaluate normal tissue sparing in intra-cranial HF-SRT, comparing various arc configurations with the Synergy Beam Modulator (SynBM) and Agility linacs, the latter incorporating leaf interdigitation and backup jaws. Methods: Five patients with multiple brain metastases (BMs), (5 BMs (n=2), 3 BMs (n=3)) treated with HF-SRT using 25 Gy (n=2) or 30 Gy (n=3) in 5 fractions, were investigated. Clinical treatment plans used the SynBM. Each patient was retrospectively re-planned on Agility, employing three planning strategies: (A) one isocenter and dedicated arc for each BM; (B) a single isocenter, centrally placed with respect to BMs; (C) the isocenter and arc configuration used in the SynBM plan, where closely spaced (<5cm) BMs used a dedicated isocenter and arcs. Agility plans were normalized for PTV coverage and heterogeneity. Results and Conclusion: Strategy A obtained the greatest improvements over the SynBM plan, where the maximum OAR dose, and mean dose to normal brain (averaged for all patients) were reduced by 55cGy and 25cGy, respectively. Strategy B was limited by having a single isocenter, hence less jaw shielding and increased MLC leakage. The maximum OAR dose was reduced by 13cGy, however mean dose to normal brain increased by 84cGy. Strategy C reduced the maximum OAR dose and mean dose to normal brain by 32cGy and 9cGy, respectively. The results from this study indicate that, for intra-cranial HF-SRT of multiple BMs, Agility plans are equal or better than SynBM plans. Further planning is needed to investigate dose sparing using Strategy A and the SynBM.

  7. In-situ P/M Al/(ZrB{sub 2} + Al{sub 2}O{sub 3}) MMCs: Processing, microstructure and mechanical characterization[Powder Metallurgy, Metal Matrix Composites

    SciTech Connect (OSTI)

    Feng, C.F.; Froyen, L.

    1999-12-10

    In-situ metal matrix composites (MMCs) offer significant advantages over conventional MMCs from both a technical and an economic standpoint. In this paper, an in-situ MMC, i.e., Al/(10 vol.% Zr2B + 9.2 vol.% Al{sub 2}O{sub 3}), is produced starting from Al + ZrO{sub 2} + B by reactive sintering and subsequently densified by hot-pressing. The formation mechanism of ZrB{sub 2} and Al{sub 2}O{sub 3} in Al matrix is studied by XRD, thermal analysis and microstructural characterization. Reaction kinetics are also investigated based on the results of the reaction mechanism. The properties are evaluated in terms of microstructural characterization, Young's modulus and bending tests. The in-situ processing involves four intermediate steps and the transitional phases are AlB{sub 2}, Zr(O, B){sub 2} and (Zr, Al)(B, O){sub 2}. Regarding the reaction kinetics, conversion fraction vs time relationships have been established for the last three intermediate steps.

  8. X-ray microstructural analysis of nanocrystalline TiZrN thin films by diffraction pattern modeling

    SciTech Connect (OSTI)

    Escobar, D.; Ospina, R.; Gmez, A.G.; Restrepo-Parra, E.; Arango, P.J.

    2014-02-15

    A detailed microstructural characterization of nanocrystalline TiZrN thin films grown at different substrate temperatures (T{sub S}) was carried out by X-ray diffraction (XRD). Total diffraction pattern modeling based on more meaningful microstructural parameters, such as crystallite size distribution and dislocation density, was performed to describe the microstructure of the thin films more precisely. This diffraction modeling has been implemented and used mostly to characterize powders, but the technique can be very useful to study hard thin films by taking certain considerations into account. Nanocrystalline films were grown by using the cathodic pulsed vacuum arc technique on stainless steel 316L substrates, varying the temperature from room temperature to 200 C. Further surface morphology analysis was performed to study the dependence of grain size on substrate temperature using atomic force microscopy (AFM). The crystallite and surface grain sizes obtained and the high density of dislocations observed indicate that the films underwent nanostructured growth. Variations in these microstructural parameters as a function of T{sub S} during deposition revealed a competition between adatom mobility and desorption processes, resulting in a specific microstructure. These films also showed slight anisotropy in their microstructure, and this was incorporated into the diffraction pattern modeling. The resulting model allowed for the films' microstructure during synthesis to be better understood according to the experimental results obtained. - Highlights: Mobility and desorption competition generates a critical temperature. A microstructure anisotropy related to the local strain was observed in thin films. Adatom mobility and desorption influence grain size and microstrain.

  9. 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.

  10. Investigation of cellular microstructure and enhanced coercivity in sputtered Sm{sub 2}(CoCuFeZr){sub 17} film

    SciTech Connect (OSTI)

    Bhatt, Ranu Schtz, G.; Bhatt, Pramod

    2014-03-14

    We have investigated the effect of annealing temperature on the microstructure and magnetic properties of Sm{sub 2}(CoCuFeZr){sub 17} films prepared using ion beam sputtering at room temperature. The as-deposited film shows randomly oriented polycrystalline grains and exhibits small coercivity (H{sub C}) of 0.04 T at room temperature. Post annealing of these films at 700?C under Ar atmosphere shows significant changes in the microstructure transforming it to the development of cellular growth, concomitant with enhanced coercivity up to 1.3 T. The enhanced coercivity is explained using the domain wall pinning mechanism.

  11. Thickness dependence of magnetoelectric response for composites of Pb(Zr{sub 0.52}Ti{sub 0.48})O{sub 3} films on CoFe{sub 2}O{sub 4} ceramic substrates

    SciTech Connect (OSTI)

    Wang, Jing Zhu, Kongjun; Wu, Xia; Deng, Chaoyong; Peng, Renci; Wang, Jianjun

    2014-08-15

    Using chemical solution spin-coating we grew Pb(Zr{sub 0.52}Ti{sub 0.48})O{sub 3} films of different thicknesses on highly dense CoFe{sub 2}O{sub 4} ceramics. X-ray diffraction revealed no other phases except Pb(Zr{sub 0.52}Ti{sub 0.48})O{sub 3} and CoFe{sub 2}O{sub 4}. In many of these samples we observed typical ferroelectric hysteresis loops, butterfly-shaped piezoelectric strains, and the magnetic-field-dependent magnetostriction. These behaviors caused appreciable magnetoelectric responses based on magnetic-mechanical-electric coupling. Our results indicated that the thickness of the Pb(Zr{sub 0.52}Ti{sub 0.48})O{sub 3} film was important in obtaining strong magnetoelectric coupling.

  12. In situ X-ray diffraction strain-controlled study of TiNbZr and TiNbTa shape memory alloys: crystal lattice and transformation features

    SciTech Connect (OSTI)

    Dubinskiy, S.; Prokoshkin, S.; Brailovski, V.; Inaekyan, K.; Korotitskiy, A.

    2014-02-15

    Phase and structure transformations in biomedical Ti21.8Nb6.0Zr (TNZ) and Ti19.7Nb5.8Ta (TNT) shape memory alloys (at.%) under and without load in the ? 150 to 100 S temperature range are studied in situ using an original tensile module for a low-temperature chamber of an X-ray diffractometer. Alpha?- and beta-phase lattice parameters, the crystallographic resource of recovery strain, phase and structure transformation sequences, and microstress appearance and disappearance are examined, compared and discussed. For both alloys, the crystallographic resource of recovery strain decreases with temperature increase to become 4.5% for TNZ and 2.5% for TNT alloy (at RT). Loading at low temperatures leads to additional ??-phase formation and reorientation. Heating under load, as compared to strain-free heating, affects the reverse transformation sequence of both alloys in different ways. For TNZ alloy, strain-free heating results in simultaneous ??? and ???? transformations, whereas during heating under stress, they are sequential: ? + ???? precedes ????. For TNT alloy, strain-free heating results in reverse ???? transformation, whereas during heating under stress, ???? transformation is preceded by ??-phase reorientation. - Highlights: Comparative in situ XRD analysis of TiNbZr(Ta) shape memory alloys is realized. Lattice parameters of ?- and ??-phases are calculated in the ? 150 to + 100 C range. The higher the temperature, the lower the ???? transformation strain. Loading at low temperatures results in ??-phase formation and reorientation. Transformation sequences upon heating with and without loading are different.

  13. Molten Salt Mixture Properties (KF-ZrF4 and KCl-MgCl2) for Use in RELAP5-3D for High Temperature Reactor Application

    SciTech Connect (OSTI)

    N. A. Anderson; P. Sabharwall

    2012-06-01

    Molten salt coolants are being investigated as primary coolants for a fluoride high-temperature reactor and as secondary coolants for high temperature reactors such as the next generation nuclear plant. This work provides a review of the thermophysical properties of candidate molten salt coolants for use as a secondary heat transfer medium from a high temperature reactor to a processing plant. The molten salts LiF-NaF-KF, KF-ZrF4 and KCl-MgCl2 were considered for use in the secondary coolant loop. The thermophysical properties necessary to add the molten salts KF-ZrF4 and KCl-MgCl2 to RELAP5-3D were gathered for potential modeling purposes. The properties of the molten salt LiF-NaF-KF were already available in RELAP5-3D. The effect that the uncertainty in individual properties had on the Nusselt number was evaluated. This uncertainty in the Nusselt number was shown to be nearly independent of the molten salt temperature.

  14. Microstructure and properties of rapidly solidified beryllium-transition metal alloys. [With small amounts of Ti, Zr and Y (1-3 wt %)

    SciTech Connect (OSTI)

    Jacobson, L.A.; Richardson, S.

    1988-01-01

    Alloys of beryllium with small amounts of Ti, Zr and Y (1-3 wt %) were rapidly solidified using an arc hammer splat technique. Each of these elements forms a dilute eutectic with beryllium, and has very low solid solubility in the alpha phase. In the case of Ti, the Be-rich compound is TiBe/sub 12/, and for Zr and Y, the compound is MBe. The objective of the work was to achieve a fine, uniform dispersion of particles of the intermetallic compound. Since these compounds have very high melting points, it was expected that rapidly solidified microstructures would be relatively stable at elevated temperatures. This microstructural stability should result in improved high temperature properties for the alloys. Microstructures have been characterized using optical, scanning and transmission electron microscopy. Microhardness measurements have been made in order to determine the effects of rapid solidification and to evaluate the effects of high temperature exposure on microstructural stability and property retention. The results will be presented in light of the potential of these alloys for intermediate temperature application. 12 refs., 8 figs.

  15. Direct observation of intrinsic piezoelectricity of Pb(Zr,Ti)O{sub 3} by time-resolved x-ray diffraction measurement using single-crystalline films

    SciTech Connect (OSTI)

    Fujisawa, Takashi; Ehara, Yoshitaka; Yasui, Shintaro; Kamo, Takafumi; Funakubo, Hiroshi; Yamada, Tomoaki; Sakata, Osami

    2014-07-07

    Lead zirconate titanate, Pb(Zr,Ti)O{sub 3} or PZT, is one of the most widely investigated ferroelectric and piezoelectric materials due to its superior properties. However, the intrinsic properties of PZT have not been directly measured due to the lack of fabrication of single crystals even though a basic understanding of intrinsic properties has been of interest developing lead-free piezoelectric materials. We demonstrated the direct observation of the intrinsic piezoelectric property by means of the detection of electric-field induced crystal lattice distortion of thick Pb(Zr{sub 0.35}Ti{sub 0.65})O{sub 3} single-crystalline films with single polar-axis orientation and negligible residual strain using the time-resolved X-ray diffraction (XRD) together with the polarization response. Consequently, the effective converse piezoelectric response was experimentally revealed; hence, the electrostrictive coefficient, which is the conversion coefficient between the electrical and mechanical response, was determined. The obtained effective electrostrictive coefficient was 5.26.3??10{sup ?2} m{sup 4}/C{sup 2}, which agrees with theoretical prediction.

  16. Transformability of t-ZrO{sub 2} and lattice parameters in plasma sprayed rare-earth oxides stabilized zirconia coatings

    SciTech Connect (OSTI)

    Khor, K.A.; Yang, J.

    1997-11-01

    Coatings of zirconia alloys are mostly used in high-temperature environments as thermal barrier coatings (TBC) to fight hostile working environments and boost energy efficiency. CaO, MgO and Y{sub 2}O{sub 3} are added into zirconia to stabilize the cubic and tetragonal forms and prevent catastrophic cracking as a result of the volume changes on t {r_arrow} m transformation. However, zirconia fully stabilized with either CaO or MgO has been shown to be destabilized on thermal cycling over 1,000 C. Y{sub 2}O{sub 3} stabilized ZrO{sub 2} is stable towards vaporization at high temperature (1,200 C). However, it also encounters the problem of destabilization when it is attacked by the mineral constituents in fuel oil. The destabilization resulted in a detrimental volume change of 3--5%, which can lead to failure, especially if thermal cycling across the transformation temperature takes place. Previous studies on the rare-earth oxide-zirconia system used solid state reaction of mixed powders that are likely to yield chemical inhomogeneities. Recent studies on rapid solidified ZrO{sub 2}-Y{sub 2}O{sub 3} and rare earth oxides stabilized zirconia systems by a hammer and anvil apparatus, which claims to be capable of obtaining compositional homogeneities, suggest the formation of a t{prime} phase that is non-transformable.

  17. In situ growth of ZrO{sub 2}Al{sub 2}O{sub 3} nano-crystalline ceramic coatings via micro arc oxidation of aluminum substrates

    SciTech Connect (OSTI)

    Shoaei-Rad, V.; Bayati, M.R.; Zargar, H.R.; Javadpour, J.; Golestani-Fard, F.; Center of Excellence for Advanced Materials, Iran University of Science and Technology, P.O. Box 16845-195, Tehran

    2012-06-15

    Highlights: ? ZrO{sub 2}Al{sub 2}O{sub 3} layers were fabricated by MAO process. ? A formation mechanism was also proposed. ? Effect of voltage and electrolyte composition on layers properties was studied. -- Abstract: Micro arc oxidation technique was employed to grow zirconiaalumina porous layers. Considering XPS, XRD, and EDX results, the layers mainly consisted of ?-Al{sub 2}O{sub 3}, ?-Al{sub 2}O{sub 3}, monoclinic ZrO{sub 2}, tetragonal ZrO{sub 2}. Fractions of these phases were observed to change based on the fabrication conditions. Zirconia phases formed not only on the surface, but also in the layers depth. Increasing the voltage as well as utilizing thicker electrolytes resulted in higher zirconium concentration. The average crystalline size of the ZrO{sub 2} and the Al{sub 2}O{sub 3} phases was determined as about 57 and 75 nm. AFM studies revealed that the surface roughness increased with voltage and electrolyte concentration. Morphological evaluations, performed by SEM, showed that the microstructure of the layers strongly depended on the synthesis conditions. The layers revealed a porous structure with a pores size of 40300 nm. Microcracks were observed to appear when the electrolyte concentration and the applied voltage increased. Finally, a formation mechanism was put forward with emphasis on the chemical and the electrochemical foundations.

  18. Impact of Pt loading methods over mesoporous-assembled TiO{sub 2}ZrO{sub 2} mixed oxide nanocrystal on photocatalytic dye-sensitized H{sub 2} production activity

    SciTech Connect (OSTI)

    Sreethawong, Thammanoon; Yoshikawa, Susumu

    2012-06-15

    Graphical abstract: The Pt loading on the synthesized mesoporous-assembled 0.95TiO{sub 2}0.05ZrO{sub 2} mixed oxide nanocrystal photocatalyst was comparatively investigated by two methods: single-step solgel (SSSG) and photochemical deposition (PCD). The Pt loading by the PCD method was found to be superior to that by the SSSG method in enhancing photocatalytic sensitized hydrogen production under visible light irradiation. The Pt loading amount and PCD conditions, i.e. light irradiation time and light intensity, also had a strong effect on the photocatalytic hydrogen production activity. Highlights: ? Pt-loaded mesoporous-assembled 0.95TiO{sub 2}0.05ZrO{sub 2} nanocrystals were synthesized. ? Pt loading was performed by single-step solgel and photochemical deposition. ? Pt loading by photochemical deposition more enhanced photocatalytic H{sub 2} production. ? Pt loading amount and photochemical deposition conditions were optimized. -- Abstract: In this work, the photocatalytic water splitting under visible light irradiation for hydrogen production was investigated by using Eosin Y-sensitized Pt-loaded mesoporous-assembled TiO{sub 2}ZrO{sub 2} mixed oxide nanocrystal photocatalysts. The mesoporous-assembled TiO{sub 2}ZrO{sub 2} mixed oxide with the TiO{sub 2}-to-ZrO{sub 2} molar ratio of 95:5 (i.e. 0.95TiO{sub 2}0.05ZrO{sub 2}) was synthesized by using a solgel process with the aid of a structure-directing surfactant. The Pt loading was comparatively performed via two different effective methods: single-step solgel (SSSG) and photochemical deposition (PCD). The synthesized photocatalysts were methodically characterized by N{sub 2} adsorptiondesorption, XRD, UVvisible spectroscopy, SEMEDX, TEMEDX, TPR, and H{sub 2} chemisorption analyses. The results revealed that the Pt loading by the PCD method greatly enhanced the photocatalytic hydrogen production activity of the synthesized mesoporous-assembled 0.95TiO{sub 2}0.05ZrO{sub 2} mixed oxide photocatalyst more than that by the SSSG method. The optimum Pt loading by the PCD method was experimentally observed at 0.5 wt.%, which was well associated with the maximum Pt dispersion. In addition, the PCD conditions, i.e. UV light irradiation time and UV light intensity, were investigated and optimized to be 2 h and 44 W, respectively.

  19. Sub-250?nm low-threshold deep-ultraviolet AlGaN-based heterostructure laser employing HfO{sub 2}/SiO{sub 2} dielectric mirrors

    SciTech Connect (OSTI)

    Kao, Tsung-Ting; Liu, Yuh-Shiuan; Mahbub Satter, Md.; Li, Xiao-Hang; Lochner, Zachary; Douglas Yoder, P.; Detchprohm, Theeradetch; Dupuis, Russell D.; Shen, Shyh-Chiang Ryou, Jae-Hyun; Fischer, Alec M.; Wei, Yong; Xie, Hongen; Ponce, Fernando A.

    2013-11-18

    We report a sub-250-nm, optically pumped, deep-ultraviolet laser using an Al{sub x}Ga{sub 1?x}N-based multi-quantum-well structure grown on a bulk Al-polar c-plane AlN substrate. TE-polarization-dominant lasing action was observed at room temperature with a threshold pumping power density of 250?kW/cm{sup 2}. After employing high-reflectivity SiO{sub 2}/HfO{sub 2} dielectric mirrors on both facets, the threshold pumping power density was further reduced to 180?kW/cm{sup 2}. The internal loss and threshold modal gain can be calculated as 2?cm{sup ?1} and 10.9?cm{sup ?1}, respectively.

  20. Process for production of solution-derived (Pb,La)(Nb,Sn,Zr,Ti)O{sub 3} thin films and powders

    DOE Patents [OSTI]

    Boyle, T.J.

    1999-01-12

    A simple and rapid process for synthesizing (Pb,La)(Nb,Sn,Zr,Ti)O{sub 3} precursor solutions and subsequent ferroelectric thin films and powders of the perovskite phase of these materials has been developed. This process offers advantages over standard methods, including: rapid solution synthesis (<10 minutes), use of commercially available materials, film production under ambient conditions, ease of lanthanum dissolution at high concentrations, and no heating requirements during solution synthesis. For lanthanum-doped ferroelectric materials, the lanthanum source can be added with total synthesis time less than 10 minutes. Films and powders are crystallized at approximately 650 C and exhibit ferroelectric properties comparable to films and powders produced by other techniques which require higher crystallization temperatures. 2 figs.

  1. Process for production of solution-derived (Pb,La)(Nb,Sn,Zr,Ti)O.sub.3 thin films and powders

    DOE Patents [OSTI]

    Boyle, Timothy J. (Albuquerque, NM)

    1999-01-01

    A simple and rapid process for synthesizing (Pb,La)(Nb,Sn,Zr,Ti)O.sub.3 precursor solutions and subsequent ferroelectric thin films and powders of the perovskite phase of these materials has been developed. This process offers advantages over standard methods, including: rapid solution synthesis (<10 minutes), use of commercially available materials, film production under ambient conditions, ease of lanthanum dissolution at high concentrations, and no heating requirements during solution synthesis. For lanthanum-doped ferroelectric materials, the lanthanum source can be added with total synthesis time less than 10 minutes. Films and powders are crystallized at approximately 650.degree. C. and exhibit ferroelectric properties comparable to films and powders produced by other techniques which require higher crystallization temperatures.

  2. Softening of infrared-active mode of perovskite BaZrO{sub 3} proved by terahertz time-domain spectroscopy

    SciTech Connect (OSTI)

    Helal, M. A.; Mori, T.; Kojima, S.

    2015-05-04

    The low-frequency infrared-active optical modes were studied in a barium zirconate, BaZrO{sub 3}, single crystal with the perovskite structure using terahertz (THz) time-domain spectroscopy (TDS). The real and imaginary parts of the dielectric constants were accurately determined in the frequency range between 0.2 and 2.7 THz. Upon cooling from room temperature to 8 K, the lowest-frequency TO1 mode at 2.32 THz showed a pronounced softening to 1.94 THz. The real part of the dielectric constant at 0.5 THz determined by THz-TDS obeys Barrett's relation, and the existence of a plateau confirms that the quantum effects lead to saturation of the soft mode frequencies of the TO1 and TO2 modes below ≈20 K. This is reminiscent of incipient ferroelectrics with the perovskite structure such as CaTiO{sub 3}.

  3. Electronic excitations and structure of Li{sub 2}IrO{sub 3} thin films grown on ZrO{sub 2}:Y (001) substrates

    SciTech Connect (OSTI)

    Jenderka, Marcus Schmidt-Grund, Rdiger; Grundmann, Marius; Lorenz, Michael

    2015-01-14

    Thin films are a prerequisite for application of the emergent exotic ground states in iridates that result from the interplay of strong spin-orbit coupling and electronic correlations. We report on pulsed laser deposition of Li{sub 2}IrO{sub 3} films on ZrO{sub 2}:Y (001) single crystalline substrates. X-ray diffraction confirms preferential (001) and (10-1) out-of-plane crystalline orientations with well defined in-plane orientation. Resistivity between 35 and 300?K is dominated by a three-dimensional variable range hopping mechanism. The dielectric function is determined by means of spectroscopic ellipsometry and, complemented by Fourier transform infrared transmission spectroscopy, reveals a small optical gap of ?300?meV, a splitting of the 5d-t{sub 2g} manifold, and several in-gap excitations attributed to phonons and possibly magnons.

  4. Mechanism of tailored magnetic anisotropy in amorphous Co{sub 68}Fe{sub 24}Zr{sub 8} thin films

    SciTech Connect (OSTI)

    Fu, Yu E-mail: cangcangzhulin@gmail.com; Meckenstock, R.; Farle, M.; Barsukov, I.; Lindner, J.; Raanaei, H.; Hjörvarsson, B.

    2014-02-17

    The mechanism of tailored magnetic anisotropy in amorphous Co{sub 68}Fe{sub 24}Zr{sub 8} thin films was investigated by ferromagnetic resonance (FMR) on samples deposited without an applied magnetic field, with an out-of-plane field and an in-plane field. Analysis of FMR spectra profiles, high frequency susceptibility calculations, and statistical simulations using a distribution of local uniaxial magnetic anisotropy reveal the presence of atomic configurations with local uniaxial anisotropy, of which the direction can be tailored while the magnitude remains at an intrinsically constant value of 3.0(2) kJ/m{sup 3}. The in-plane growth field remarkably sharpens the anisotropy distribution and increases the sample homogeneity. The results benefit designing multilayer spintronic devices based on highly homogeneous amorphous layers with tailored magnetic anisotropy.

  5. Understanding the deformation mechanism of individual phases of a ZrTi-based bulk metallic glass matrix composite using in situ diffraction and imaging methods

    SciTech Connect (OSTI)

    Huang, Yongjiang E-mail: yjhuang@hit.edu.cn; Khong, J. C.; Mi, J. E-mail: yjhuang@hit.edu.cn; Connolley, Thomas

    2014-01-20

    The plasticity of a ZrTi-based bulk metallic glass composite consisting of glassy matrix and crystalline dendritic phase was studied in-situ under identical tensile loading conditions using scanning electron microscopy and synchrotron X-ray diffraction. A generic procedure was developed to separate the diffraction information of the crystalline phases away from that of the matrix and to precisely calculate the microscopic strains of the two phases at different macroscopic load steps. In this way, the time-evolved quantitative links between shear bands nucleation/propagation and the corresponding microscopic stress fields around them are established, providing more quantitative understanding on (1) how the shear bands are driven by the local stress field, and (2) the critical stresses required for the shear bands to nucleate in the crystalline phase, propagate through the crystalline/matrix interface, and finally into the matrix.

  6. Evidence of Eu{sup 2+} 4f electrons in the valence band spectra of EuTiO{sub 3} and EuZrO{sub 3}

    SciTech Connect (OSTI)

    Kolodiazhnyi, T.; Valant, M.; Williams, J. R.; Bugnet, M.; Botton, G. A.; Ohashi, N.; Sakka, Y.

    2012-10-15

    We report on optical band gap and valence electronic structure of two Eu{sup 2+}-based perovskites, EuTiO{sub 3} and EuZrO{sub 3} as revealed by diffuse optical scattering, electron energy loss spectroscopy, and valence-band x-ray photoelectron spectroscopy. The data show good agreement with the first-principles studies in which the top of the valence band structure is formed by the narrow Eu 4f{sup 7} electron band. The O 2p band shows the features similar to those of the Ba(Sr)TiO{sub 3} perovskites except that it is shifted to higher binding energies. Appearance of the Eu{sup 2+} 4f{sup 7} band is a reason for narrowing of the optical band gap in the title compounds as compared to their Sr-based analogues.

  7. Comparative studies of optical and elastic properties of ZrO{sub 2} thin films prepared under normal and oblique incidence deposition geometries

    SciTech Connect (OSTI)

    Sarkar, P. Tokas, R. B. Jena, S. Thakur, S. Sahoo, N. K.

    2014-04-24

    Oblique angle deposited optical thin films have attracted recent researchers interest because of their attractive optical, micro-structural, mechanical properties and more importantly because of their great potential in achieving tunability in refractive index. These properties in turn make it important in case of designing different optical devices. In the present work, ZrO{sub 2} thin films have been deposited on fused silica substrate by electron beam evaporation technique in normal as well as oblique angle deposition configurations. Optical properties, especially refractive index of the films have been estimated by fitting the measured transmission spectra with suitable theoretical dispersion models. Atomic force microscopy has been employed to characterize morphological properties of samples. The elastic properties of both the films are estimated by Atomic Force Acoustic Microscopy, a new and highly sensitive technique for thin films.

  8. Phases in ceria-zirconia binary oxide (1-x)CeO2-xZrO2 nanoparticles: the size effects

    SciTech Connect (OSTI)

    Zhang,F.; Chen, C.; Hanson, J.; Herman, I.; Chan, S.

    2006-01-01

    The phases of ceria-zirconia nanoparticles observed in air are studied as a function of particle size and composition by X-ray diffraction, transmission electron microscopy, and Raman spectroscopy. The emergence of two tetragonal phases t{prime}{prime} and t monotonically moves toward higher zirconia concentrations with decreasing particle size. A smaller particle size increases the solubility of zirconia in cubic ceria, while higher zirconia content in ceria stabilizes against coarsening. In particular, the cubic Ce{sub 1-x}Zr{sub x}O{sub 2-y} is persistent and is 8% in phase amount even at 90% zirconia with 33 nm crystal size. Neither the monoclinic phase m nor the tetragonal phase t{prime} is observed in the present nanoparticles (<40 nm). The effectiveness of these nanoparticles as oxygen source-and-sink in catalytic support is largely due to the persistence of the cubic and the t{prime}{prime} phases.

  9. Dielectric behavior of samarium-doped BaZr{sub 0.2}Ti{sub 0.8}O{sub 3} ceramics

    SciTech Connect (OSTI)

    Li, Yuanliang; Wang, Ranran; Ma, Xuegang; Li, Zhongqiu; Sang, Rongli; Qu, Yuanfang

    2014-01-01

    Graphical abstract: - Highlights: We investigate dielectric properties and phase transition of Sm{sup 3+}-doped BaZr{sub 0.2}Ti{sub 0.8}O{sub 3} ceramics. The additive amount of Sm{sub 2}O{sub 3} can greatly affect the dielectric properties. The materials undergo a diffuse type ferroelectric phase transition. There is an alternation of substitution preference of Sm{sup 3+} ion for the host cations in perovskite lattice. - Abstract: The dielectric properties and phase transition of Sm{sup 3+}-doped BaZr{sub 0.2}Ti{sub 0.8}O{sub 3} (BZT20) ceramics were investigated. Room temperature X-ray diffraction study suggested that the compositions had single-phase cubic symmetry. Microstructure studies showed that the grain size decreased and that the Sm{sub 2}O{sub 3} amount markedly affected the dielectric properties of BZT20. A dielectric constant of 5700 at 0.2 mol% Sm{sub 2}O{sub 3} and a dissipation factor of only 0.0011 at 2 mol% Sm{sub 2}O{sub 3} were observed, indicating that BZT20 had significant potential applications. Moreover, the dielectric constant, dissipation factor, phase-transition temperature, and maximum dielectric constant increased with increased Sm{sub 2}O{sub 3} amount at ?0.2 mol% Sm{sub 2}O{sub 3} but decreased with increased Sm{sub 2}O{sub 3} amount at >0.2 mol% Sm{sub 2}O{sub 3}.

  10. Ultrafast laser and swift heavy ion irradiation: Response of Gd{sub 2}O{sub 3} and ZrO{sub 2} to intense electronic excitation

    SciTech Connect (OSTI)

    Rittman, Dylan R.; Tracy, Cameron L.; Cusick, Alex B.; Abere, Michael J.; Yalisove, Steven M.; Torralva, Ben; Ewing, Rodney C.

    2015-04-27

    In order to investigate the response of materials to extreme conditions, there are several approaches to depositing extremely high concentrations of energy into very small volumes of material, including ultrafast laser and swift heavy ion (SHI) irradiation. In this study, crystalline-to-crystalline phase transformations in cubic Gd{sub 2}O{sub 3} and monoclinic ZrO{sub 2} have been investigated using ultrafast laser irradiation. The phases produced by the extreme conditions of irradiation were characterized by grazing incidence x-ray diffraction (GIXRD) and Raman spectroscopy. Gd{sub 2}O{sub 3} exhibited a cubic-to-monoclinic phase transformation, as evidenced by the appearance of the monoclinic (402{sup }), (003), (310), and (112{sup }) peaks in the GIXRD pattern and of four A{sub g} and three B{sub g} Raman modes. ZrO{sub 2} underwent a monoclinic-to-tetragonal phase transformation, as evidenced by the emergence of the tetragonal (101) peak in the GIXRD pattern and of E{sub g} and A{sub 1g} Raman modes. The new phases formed by ultrafast laser irradiation are high temperature polymorphs of the two materials. No evidence of amorphization was seen in the GIXRD data, though Raman spectroscopy indicated point defect accumulation. These results are identical to those produced by irradiation with SHIs, which also deposit energy in materials primarily through electronic excitation. The similarity in damage process and material response between ultrafast laser and SHI irradiation suggests a fundamental relationship between these two techniques.

  11. Rainfall Manipulation Plot Study (RaMPS)

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

    Blair, John [Kansas State University; Fay, Phillip [USDA-ARS; Knapp, Alan [Colorado State University; Collins, Scott [University of New Mexico; Smith, Melinda [Yale University

    Data sets are available as ASCII files, in Excel spreadsheets, and in SAS format. (Taken from http://www.konza.ksu.edu/ramps/backgrnd.html

  12. OAS-RA-12-14

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

    Loan Programs Office is in the final stages of developing and implementing a state of the art records management system as well as an integrated information management system that...

  13. Microsoft Word - RA6120_2.doc

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

    Washington, D.C. SUBJECT: POWER MARKETING ADMINISTRATION FINANCIAL REPORTING 1. PURPOSE. To establish financial reporting policies, procedures, and methodology for all ...

  14. Effect of ZrO{sub 2}-doping of nanosized Fe{sub 2}O{sub 3}/MgO system on its structural, surface and catalytic properties

    SciTech Connect (OSTI)

    Hassan, Neveen A.; El-Molla, Sahar A.; Mohamed, Ghada M.; Fagal, Gehan A.

    2012-09-15

    Highlights: ? Preparation and characterization nano-sized ZrO{sub 2}-doped Fe{sub 2}O{sub 3}/MgO system. ? Pure and doped solids calcined at 500 and 700 C are mesoporous adsorbents. ? ZrO{sub 2}-doping increased the lattice constant a of MgO lattice to an extent proportional to the amount of ZrO{sub 2} added. ? The catalytic activity in H{sub 2}O{sub 2} decomposition was found to increase as a function of dopant concentration. -- Abstract: Fe{sub 2}O{sub 3}/MgO system was prepared by wet impregnation method followed by treatment with different amounts of Zr-dopant salt then heating at 500 and 700 C. The dopant concentrations were 0.48, 0.95 and 1.4 mol% ZrO{sub 2}. Pure and variously doped solids were characterized using XRD, N{sub 2}-adsorption isotherms carried out at ?196 C and catalytic decomposition of H{sub 2}O{sub 2} in aqueous solution at 2535 C. The results revealed that the nanosized MgO phase was only detected in the diffractograms of pure and doped solids calcined at 500 C. Heating pure and doped solids at 700 C produced nanosized MgFe{sub 2}O{sub 4} phase together with MgO phase. Pure and ZrO{sub 2}-doped solids calcined at 500 and 700 C are mesoporous adsorbents. The doping process brought about a measurable decrease in the S{sub BET} of Fe{sub 2}O{sub 3}/MgO system with subsequent increase in its catalytic activity. The catalytic activity of the investigated system toward H{sub 2}O{sub 2} decomposition, expressed as reaction rate constant per unit surface area was found to increase as a function of dopant concentration. The maximum increase in the reaction rate constant per unit surface area measured for the reaction carried out at 30 C attained 125% for the heavily doped samples. This significant increase was based on the catalytic activity of pure catalyst sample measured under the same conditions.

  15. Effect of the valence electron concentration on the bulk modulus and chemical bonding in Ta{sub 2}AC and Zr{sub 2}AC (A=Al, Si, and P)

    SciTech Connect (OSTI)

    Schneider, Jochen M.; Music, Denis; Sun Zhimei

    2005-03-15

    We have studied the effect of the valence electron concentration, on the bulk modulus and the chemical bonding in Ta{sub 2}AC and Zr{sub 2}AC (A=Al, Si, and P) by means of ab initio calculations. Our equilibrium volume and the hexagonal ratio (c/a) agree well (within 2.7% and 1.2%, respectively) with previously published experimental data for Ta{sub 2}AlC. The bulk moduli of both Ta{sub 2}AC and Zr{sub 2}AC increase as Al is substituted with Si and P by 13.1% and 20.1%, respectively. This can be understood since the substitution is associated with an increased valence electron concentration, resulting in band filling and an extensive increase in cohesion.

  16. Electron-irradiation induced phase transformation in La{sub 1/3}Zr{sub 2}(PO{sub 4}){sub 3}: La{sup 3+} displacement in a preserved NASICON framework

    SciTech Connect (OSTI)

    Crosnier-Lopez, M.P. . E-mail: marie-pierre.crosnier-lopez@univ-lemans.fr; Barre, M.; Le Berre, F.; Fourquet, J.L.

    2006-08-15

    The La{sub 1/3}Zr{sub 2}(PO{sub 4}){sub 3} NASICON-type compound (S.G. P3-bar - neutron and X-ray diffraction experiments) is investigated by transmission electron microscopy (TEM) technique, selected area electron diffraction (SAED) and high-resolution electron microscopy (HREM), in order to study locally the lanthanum distribution. An irreversible structural transformation (P-bar -bar -bar ->P-bar c-bar ->R-bar -bar -bar ) is observed, without modification of the atomic content and cell size, as soon as the phase is illuminated by the electron beam. The progressive disappearance of the spots which do not check the R conditions on the SAED patterns is clearly shown along two zone axis, [001] and [100]. This transformation implies the displacement of the two La{sup 3+} cations in a preserved classical [Zr{sub 2}(PO{sub 4}){sub 3}]{sup -} network. This interesting behavior is in good agreement with the La{sup 3+} ionic conductivity observed in La{sub 1/3}Zr{sub 2}(PO{sub 4}){sub 3} (4.09x10{sup -7}Scm{sup -1} at 700 deg. C). To our knowledge, this is the first time that a complete TEM study is done on a NASICON-type phase.

  17. Comment on Magnetic field mediated low-temperature resistivity upturn in electron-doped La{sub 1?x}Hf{sub x}MnO{sub 3} manganite oxides [J. Appl. Phys. 112, 123710 (2012)

    SciTech Connect (OSTI)

    Rozenberg, E.

    2014-01-21

    In a recent paper, Guo et al. [J. Appl. Phys. 112, 123710 (2012)] reported on characteristic features of the temperature (T) and magnetic field (H) dependences of electrical resistivity (?) in polycrystalline La{sub 1?x}Hf{sub x}MnO{sub 3} (x?=?0.2 and 0.3) manganites. In particular, shallow minima were observed at some T{sub min} below 100?K on ?(T) curves. Application of an external H???5?T leads first to a decrease in the T{sub min} value, while this value increases notably at H?>?0.75?T. The authors attributed this complex behavior to competitive electron-electron interaction and Kondo-like spin dependent scattering of carriers. It is shown in the comment that such interpretation is very questionable due to the fundamental inapplicability of this approach for analysis of low-T conductivity in polycrystalline manganites. It seems that the most likely reason for the appearance of the low temperature minima on ?(T) curves and their evolution upon field application is the well known grain boundary effects in magnetically and structurally inhomogeneous samples.

  18. Possible contribution of low shear modulus C?? to the low Youngs modulus of Ti-36Nb-5Zr alloy

    SciTech Connect (OSTI)

    Meng, Qingkun; Guo, Shun; Ren, Xiaobing; Xu, Huibin; Zhao, Xinqing

    2014-09-29

    Despite the importance of single-crystal elastic constants of ?-phase titanium alloys in understanding their low Young's modulusa property crucial for many applications, such data are often difficult to obtain when the alloy composition is close to the instability limit of the ? phase, where the presence of ?" martensite precludes the fabrication of ?-phase single crystal. In the present study, we extracted the single-crystal elastic constants of such a ?-phase titanium alloy with low Young's modulus, Ti-36Nb-5Zr (wt. %), from polycrystalline specimens by using an in-situ synchrotron X-ray diffraction technique. It is indicated that the low Young's modulus of the alloy originates from the anomalously low shear modulus C?? as well as the low shear modulus C', which is different from a common viewpoint that the Young's modulus of ?-phase titanium alloys is dominantly controlled by the C'. This suggests that low C?? is an important contributor to low Young's modulus for instable ?-phase titanium alloys.

  19. Possible contribution of low shear modulus C{sub 44} to the low Young's modulus of Ti-36Nb-5Zr alloy

    SciTech Connect (OSTI)

    Meng, Qingkun; Xu, Huibin; Zhao, Xinqing; Guo, Shun; Ren, Xiaobing

    2014-09-29

    Despite the importance of single-crystal elastic constants of ?-phase titanium alloys in understanding their low Young's modulusa property crucial for many applications, such data are often difficult to obtain when the alloy composition is close to the instability limit of the ? phase, where the presence of ?' martensite precludes the fabrication of ?-phase single crystal. In the present study, we extracted the single-crystal elastic constants of such a ?-phase titanium alloy with low Young's modulus, Ti-36Nb-5Zr (wt.?%), from polycrystalline specimens by using an in-situ synchrotron X-ray diffraction technique. It is indicated that the low Young's modulus of the alloy originates from the anomalously low shear modulus C{sub 44} as well as the low shear modulus C?, which is different from a common viewpoint that the Young's modulus of ?-phase titanium alloys is dominantly controlled by the C?. This suggests that low C{sub 44} is an important contributor to low Young's modulus for instable ?-phase titanium alloys.

  20. Lasing characteristics of ZrO{sub 2}Y{sub 2}O{sub 3}Ho{sub 2}O{sub 3} crystal

    SciTech Connect (OSTI)

    Borik, M A; Lomonova, E E; Kulebyakin, A V; Ushakov, S N; Lyapin, A A; Ryabochkina, P A; Chabushkin, A N

    2013-09-30

    The spectral dependences of the gain cross section of the {sup 5}I{sub 8} ? {sup 5}I{sub 7}, {sup 5}I{sub 7} ? {sup 5}I{sub 8} transition of Ho{sup 3+} ions in the ZrO{sub 2} 13.6 mol % Y{sub 2}O{sub 3} 0.4 mol % Ho{sub 2}O{sub 3} crystal are calculated at different relative population inversions using the absorption and luminescence spectra of the {sup 5}I{sub 8} ? {sup 5}I{sub 7} and {sup 5}I{sub 7} ? {sup 5}I{sub 8} transitions of Ho{sup 3+} ions at T=''300'' K. Lasing of these crystals at the {sup 5}I{sub 7} ? {sup 5}I{sub 8} transition is obtained for the first time under pumping by a Tm : YLiF{sub 4} laser (?{sub p} = 1.905 ?m). The lasing wavelength is 2.17 ?m. (lasers)

  1. One-step synthesis of lightly doped porous silicon nanowires in HF/AgNO{sub 3}/H{sub 2}O{sub 2} solution at room temperature

    SciTech Connect (OSTI)

    Bai, Fan; State Key Laboratory of Alternate Electrical Power System with Renewable Energy Sources, North China Electric Power University, Beijing 102206 ; Li, Meicheng; Su Zhou Institute, North China Electric Power University, Suzhou 215123 ; Song, Dandan; Yu, Hang; Jiang, Bing; Li, Yingfeng

    2012-12-15

    One-step synthesis of lightly doped porous silicon nanowire arrays was achieved by etching the silicon wafer in HF/AgNO{sub 3}/H{sub 2}O{sub 2} solution at room temperature. The lightly doped porous silicon nanowires (pNWs) have circular nanopores on the sidewall, which can emit strong green fluorescence. The surface morphologies of these nanowires could be controlled by simply adjusting the concentration of H{sub 2}O{sub 2}, which influences the distribution of silver nanoparticles (Ag NPs) along the nanowire axis. A mechanism based on Ag NPs-induced lateral etching of nanowires was proposed to explain the formation of pNWs. The controllable and widely applicable synthesis of pNWs will open their potential application to nanoscale photoluminescence devices. - Graphical abstract: The one-step synthesis of porous silicon nanowire arrays is achieved by chemical etching of the lightly doped p-type Si (100) wafer at room temperature. These nanowires exhibit strong green photoluminescence. SEM, TEM, HRTEM and photoluminescence images of pNWs. The scale bars of SEM, TEM HRTEM and photoluminescence are 10 {mu}m, 20 nm, 10 nm, and 1 {mu}m, respectively. Highlights: Black-Right-Pointing-Pointer Simple one-step synthesis of lightly doped porous silicon nanowire arrays is achieved at RT. Black-Right-Pointing-Pointer Etching process and mechanism are illustrated with etching model from a novel standpoint. Black-Right-Pointing-Pointer As-prepared porous silicon nanowire emits strong green fluorescence, proving unique property.

  2. Dynamic response of Cu4Zr54 metallic glass to high strain rate shock loading: plasticity, spall and atomic-level structures

    SciTech Connect (OSTI)

    Luo, Shengnian; Arman, Bedri; Germann, Timothy C; Cagin, Tahir

    2009-01-01

    We investigate dynamic response of Cu{sub 46}Zr{sub 54} metallic glass under adiabatic planar shock wave loading (one-dimensional strain) wjth molecular dynamics simulations, including Hugoniot (shock) states, shock-induced plasticity and spallation. The Hugoniot states are obtained up to 60 CPa along with the von Mises shear flow strengths, and the dynamic spall strength, at different strain rates and temperatures. The spall strengths likely represent the limiting values achievable in experiments such as laser ablation. For the steady shock states, a clear elastic-plastic transition is identified (e.g., in the shock velocity-particle velocity curve), and the shear strength shows strain-softening. However, the elastic-plastic transition across the shock front displays transient stress overshoot (hardening) above the Hugoniot elastic limit followed by a relatively sluggish relaxation to the steady shock state, and the plastic shock front steepens with increasing shock strength. The local von Mises shear strain analysis is used to characterize local deformation, and the Voronoi tessellation analysis, the corresponding short-range structures at various stages of shock, release, tension and spallation. The plasticity in this glass is manifested as localized shear transformation zones and of local structure rather than thermal origin, and void nucleation occurs preferentially at the highly shear-deformed regions. The Voronoi and shear strain analyses show that the atoms with different local structures are of different shear resistances that lead to shear localization (e.g., the atoms indexed with (0,0,12,0) are most shear-resistant, and those with (0,2,8,1) are highly prone to shear flow). The dynamic changes in local structures are consistent with the observed deformation dynamics.

  3. Preparation and spectroscopic properties of rare-earth (RE) (RE = Sm, Eu, Tb, Dy, Tm)-activated K{sub 2}LnZr(PO{sub 4}){sub 3} (Ln = Y, La, Gd and Lu) phosphate in vacuum ultraviolet region

    SciTech Connect (OSTI)

    Zhang, Zhi-Jun; Lin, Xiao; Graduate School of Chinese Academy of Science, Beijing, 100039 ; Zhao, Jing-Tai; Zhang, Guo-Bin

    2013-02-15

    Graphical abstract: Display Omitted Highlights: ? We report the VUV spectroscopic properties of rare-earth ions in K{sub 2}LnZr(PO{sub 4}){sub 3}. ? The O{sup 2?}-Eu{sup 3+} charge transfer bands at about 220 nm have been observed. ? The 4f5d spin-allowed and spin-forbidden transitions of Tb{sup 3+} have been observed. ? There is energy transfer between the host and rare-earth activators. -- Abstract: Rare earth (RE = Sm, Eu, Tb, Dy and Tm)-activated K{sub 2}LnZr(PO{sub 4}){sub 3} (Ln = Y, La, Gd and Lu) have been synthesized by solid-state reaction method, and their vacuum ultraviolet (VUV) excitation luminescent characteristics have been investigated. The band in the wavelength range of 130157 nm and the other one range from 155 to 216 nm with the maximum at about 187 nm in the VUV excitation spectra of these compounds are attributed to the host lattice absorption and OZr charge transfer transition, respectively. The charge transfer bands (CTB) of O{sup 2?}-Sm{sup 3+}, O{sup 2?}-Dy{sup 3+} and O{sup 2?}-Tm{sup 3+}, in Sm{sup 3+}, Dy{sup 3+} and Tm{sup 3+}-activated samples, have not been obviously observed probably because the 2p electrons of oxygen are tightly bound to the zirconium ion in the host lattice. For Eu{sup 3+}-activated samples, the relatively weak O{sup 2?}-Eu{sup 3+} CTB at about 220 nm is observed. And for Tb{sup 3+}-activated samples, the bands at 223 and 258 nm are related to the 4f-5d spin-allowed and spin-forbidden transitions of Tb{sup 3+}, respectively. It is observed that there is energy transfer between the host lattice and the luminescent activators (e.g. Eu{sup 3+}, Tb{sup 3+}). From the standpoint of luminescent efficiency, color purity and chemical stability, K{sub 2}GdZr(PO{sub 4}){sub 3}:Sm{sup 3+}, Eu{sup 3+}, Tb{sup 3+} are attractive candidates for novel yellow, red, green-emitting PDP phosphors.

  4. Investigation of temperature dependence of neutron yield and electron screening potential for the d(d, n){sup 3}He reaction proceeding in deuterides ZrD{sub 2} and TiD{sub 2}

    SciTech Connect (OSTI)

    Bystritsky, V. M.; Bystritskii, Vit. M.; Dudkin, G. N.; Filipowicz, M.; Gazi, S.; Huran, J.; Kobzev, A. P.; Mesyats, G. A.; Nechaev, B. A.; Padalko, V. N.; Parzhitskii, S. S.; Pen'kov, F. M.; Philippov, A. V.; Kaminskii, V. L.; Tuleushev, Yu. Zh.; Wozniak, J.

    2012-08-15

    The temperature dependence of the enhancement factor for the dd reaction proceeding in TiD{sub 2} and ZrD{sub 2} is investigated. The experiments were carried out at the Hall pulsed ion accelerator (INP, Polytechnic University, Tomsk, Russia) in the deuteron energy interval 7.0-12.0 keV and at temperatures ranging from 20 to 200 Degree-Sign C. The values obtained for the electron screening potentials indicate that the dd reaction enhancement factor does not depend on the target temperature in the range 20-200 Degree-Sign C. This result contradicts the conclusions drawn by the LUNA Collaboration from their work.

  5. Experimental study of neutron-rich nuclei near the N = 82 closed shell using the {sub 40}{sup 96}Zr+{sub 50}{sup 124}Sn reaction with GASP and PRISMA-CLARA arrays

    SciTech Connect (OSTI)

    Rodrguez, W.; Torres, D. A.; Cristancho, F.; Medina, N. H.; Chapman, R.; Smith, J. F.; Mengoni, D.; Truesdale, V.; Grocutt, L.; Mulholland, K.; Kumar, V.; Hadinia, B.; Labiche, M.; Liang, X.; O'Donell, D.; Ollier, J.; Orlandi, R.; Smith, J. F.; Spohr, K. M.; Wady, P.; and others

    2014-11-11

    In this contribution an experimental study of the deep-inelastic reaction {sub 40}{sup 96}Zr+{sub 50}{sup 124}Sn at 530 MeV, using the GASP and PRISMA-CLARA arrays, is presented. The experiments populate a wealth of projectile-like and target-like binary fragments, in a large neutron-rich region around N ? 50 and Z ? 40. Preliminary results on the study of the yrast and near-yrast states for {sup 95}Nb will be shown, along with a comparison of the experimental yields obtained in the experiments.

  6. Optical energy storage and reemission based weak localization of light and accompanying random lasing action in disordered Nd{sup 3+} doped (Pb, La)(Zr, Ti)O{sub 3} ceramics

    SciTech Connect (OSTI)

    Xu, Long; Zhao, Hua; Xu, Caixia; Zhang, Siqi; Zhang, Jingwen

    2014-08-14

    Multi-mode random lasing action and weak localization of light were evidenced and studied in normally transparent but disordered Nd{sup 3+} doped (Pb,La)(Zr,Ti)O{sub 3} ceramics. Noticeable localized zone and multi-photon process were observed under strong pumping power. A tentative phenomenological physical picture was proposed by taking account of diffusive process, photo-induced scattering, and optical energy storage process as dominant factors in elucidating the weak localization of light observed. Both the decreased transmittance (increased reflectivity) of light and the observed long lasting fading-off phenomenon supported the physical picture proposed by us.

  7. fileWCN7hF

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

  8. Structure and magnetoresistance of a Ni{sub 79.7}Fe{sub 14.0}Co{sub 2.8}Zr{sub 2.0}Cu{sub 1.5} thin film

    SciTech Connect (OSTI)

    Varyukhin, V. N.; Izotov, A. I.; Moroz, T. T. Shkuratov, B. E.

    2013-01-15

    The structure and magnetoresistance R of thin films based on Ni{sub 80}Fe{sub 20} permalloy doped with Co, Zr, and Cu have been examined by X-ray diffraction analysis and resistance measurement. The films have been obtained by ion plasma sputtering on oxidized silicon, fused quartz, and glass ceramic cold substrates. It has been shown that the structure of a film in the initial state is a mixture of solid solutions based on two phases: Ni(fcc) particles with a size of L Almost-Equal-To 8 nm and (Zr{sub 0.67}Ni{sub 0.22}O{sub 0.11}){gamma} particles with a size of L Almost-Equal-To 12 nm. The R(H) dependences on the strength and direction of the magnetic field H have been obtained at room temperature for film samples in the initial state and after isothermal annealing at 653 K for 1 h. According to R(H) dependences and X-ray diffraction analysis, films in the initial state are assumingly in a superparamagnetic state, whereas they exhibit ferromagnetic properties after isothermal annealing.

  9. Strategy for stabilization of the antiferroelectric phase (Pbma) over the metastable ferroelectric phase (P2{sub 1}ma) to establish double loop hysteresis in lead-free (1−x)NaNbO{sub 3}-xSrZrO{sub 3} solid solution

    SciTech Connect (OSTI)

    Guo, Hanzheng Randall, Clive A.; Shimizu, Hiroyuki; Mizuno, Youichi

    2015-06-07

    A new lead-free antiferroelectric solid solution system, (1−x)NaNbO{sub 3}-xSrZrO{sub 3}, was rationalized through noting the crystal chemistry trend, of decreasing the tolerance factor and an increase in the average electronegativity of the system. The SrZrO{sub 3} doping was found to effectively stabilize the antiferroelectric (P) phase in NaNbO{sub 3} without changing its crystal symmetry. Preliminary electron diffraction and polarization measurements were presented which verified the enhanced antiferroelectricity. In view of our recent report of another lead-free antiferroelectric system (1−x)NaNbO{sub 3}-xCaZrO{sub 3} [H. Shimizu et al. “Lead-free antiferroelectric: xCaZrO{sub 3} - (1−x)NaNbO{sub 3} system (0 ≤ x ≤ 0.10),” Dalton Trans. (published online)], the present results point to a general strategy of utilizing tolerance factor to develop a broad family of new lead-free antiferroelectrics with double polarization hysteresis loops. We also speculate on a broad family of possible solid solutions that could be identified and tested for this important type of dielectric.

  10. A comparative study of SrO and BaO doping to CeO{sub 2}-ZrO{sub 2}: Characteristic and its catalytic performance for three-way catalysts

    SciTech Connect (OSTI)

    Guo, Jiaxiu; National Engineering Research Center for Flue Gas Desulfurization, Chengdu 610065 ; Shi, Zhonghua; Wu, Dongdong; Yin, Huaqiang; National Engineering Research Center for Flue Gas Desulfurization, Chengdu 610065 ; Gong, Maochu; Chen, Yaoqiang; National Engineering Research Center for Flue Gas Desulfurization, Chengdu 610065

    2013-02-15

    Graphical abstract: Display Omitted Highlights: ? The prepared materials have a face-centered cubic structure and nanosize particles. ?Comparing to CZB, aged CZS has 494 ?mol/g of OSC and 30 m{sup 2}/g of surface area. ? CZS and CZB have similar NO sorption and reductive properties and different H{sub 2} uptake. ? T{sub 50} of Pt-Rh/CZS/LA is as low as 199 C for CO, 228 C for NO, and 252 C for C{sub 3}H{sub 8}. ? Pt-Rh/CZS/LA has wider working-window at 320 C under different ? value. -- Abstract: Ceria-zirconia-strontia (Ce{sub 0.35}Zr{sub 0.55}Sr{sub 0.10}O{sub 1.9}) and ceria-zirconia-baria (Ce{sub 0.35}Zr{sub 0.55}Ba{sub 0.10}O{sub 1.9}) were synthesized using an oxidation-co-precipitation method with hydrogen peroxide (H{sub 2}O{sub 2}) as oxidant. The physical and chemical properties of the prepared materials were investigated using BrunauerEmmettTeller surface area characterization, transmission electron microscopy, X-ray diffraction, Raman spectra, X-ray photoelectron spectroscopy, and oxygen pulse reaction. The prepared materials were used in preparing three-way catalysts with low Pt and Rh content. Moreover, catalytic activities were evaluated at a fixed bed under a simulated gaseous mixture. The results are as follows: (1) the prepared materials have a face-centered cubic structure and are nano-sized; (2) aged Ce{sub 0.35}Zr{sub 0.55}Sr{sub 0.10}O{sub 1.9} has higher oxygen storage capacity (494 ?mol/g), better thermal stability (30 m{sup 2}/g), good low-temperature reducibility, and high hydrogen uptake after TPR-redox cycles; (3) the light-off temperature (T{sub 50}) of Pt-Rh/CZS/LA can be as low as 199 C for CO, 228 C for NO, and 252 C for C{sub 3}H{sub 8}; and (4) Pt-Rh/CZS/LA has a fairly wide working-window.

  11. Order parameter and scaling behavior in BaZr{sub x}Ti{sub 1?x}O{sub 3} (0.3 < x < 0.6) relaxor ferroelectrics

    SciTech Connect (OSTI)

    Usman, Muhammad; Mumtaz, Arif Raoof, Sobia; Hasanain, S. K.

    2013-12-23

    We report the relaxor behavior of the zirconium doped barium titanate BaZr{sub x}Ti{sub 1?x}O{sub 3} solid solutions and discuss the temperature, frequency, and concentration dependence in terms of correlations among the polar nanoregions. The relaxor behavior is analyzed within the mean field theory by estimating the Edward-Anderson order parameter q{sub EA}. Additionally, we find that q{sub EA} calculated for the different concentrations obeys a scaling behavior q{sub EA}=1?(T/T{sub m}){sup n}, where T{sub m} are the respective dielectric maxima temperatures and n?=?2.0??0.1. The frequency dependence of the q{sub EA} also shows results consistent with the above mentioned picture.

  12. Calculations of the magnetic entropy change in amorphous through a microscopic anisotropic model: Applications to Dy{sub 70}Zr{sub 30} and DyCo{sub 3.4} alloys

    SciTech Connect (OSTI)

    Ranke, P. J. von Nóbrega, E. P.; Ribeiro, P. O.; Alvarenga, T. S. T.; Lopes, P. H. O.; Sousa, V. S. R. de; Oliveira, N. A. de; Caldas, A.; Alho, B. P.; Carvalho, G.; Magnus, A.

    2014-10-14

    We report theoretical investigations on the magnetocaloric effect, described by the magnetic entropy change in rare earth—transition metal amorphous systems. The model includes the local anisotropy on the rare earth ions in Harris-Plischke-Zuckermann assumptions. The transition metals ions are treated in terms of itinerant electron ferromagnetism and the magnetic moment of rare earth ions is coupled to the polarized d-band by a local exchange interaction. The magnetocaloric effect was calculated in DyCo{sub 3.4} system, which presents amorphous sperimagnetic configuration. The calculations predict higher refrigerant capacity in the amorphous DyCo{sub 3.4} than in DyCo{sub 2} crystal, highlighting the importance of amorphous magnetocaloric materials. Our calculation of the magnetocaloric effect in Dy{sub 70}Zr{sub 30}, which presents amorphous asperomagnetic configuration, is in good agreement with the experimental result. Furthermore, magnetic entropy changes associated with crystal-amorphous configurations change are estimated.

  13. Low-temperature evolution of local polarization properties of PbZr{sub 0.65}Ti{sub 0.35}O{sub 3} thin films probed by piezoresponse force microscopy

    SciTech Connect (OSTI)

    Andreeva, N. V.; Filimonov, A. V.; Rudskoy, A. I.; Tyunina, M.; Pertsev, N. A. Vakhrushev, S. B.

    2014-03-17

    The temperature evolution of local polarization properties in epitaxial PbZr{sub 0.65}Ti{sub 0.35}O{sub 3} films is studied by the low-temperature piezoresponse force microscopy (PFM). Pronounced changes in the film polarization state, including apparent polarization rotations and possible transitions between single-domain and polydomain states of individual ferroelectric nanocolumns, are revealed on cooling from the room temperature to 8?K using PFM imaging. More than two-fold increase in the coercive voltage extracted from the piezoresponse hysteresis loops is found on cooling from 240 to 8?K. The results are explained by the thermodynamic theory of strained epitaxial perovskite ferroelectric films.

  14. Impact of pulse poling on static and dynamic ferroelastic-domain contributions in tetragonal Pb(Ti, Zr)O{sub 3} films determined by in-situ xray diffraction analysis

    SciTech Connect (OSTI)

    Nakajima, Mitsumasa; Wada, Ayumi; Ehara, Yoshitaka; Funakubo, Hiroshi; Yamada, Tomoaki; Kobayashi, Takeshi

    2014-11-21

    The effects of bipolar pulse poling on the ferroelastic domain structure and their contribution to the electrical and piezoelectric properties of Pb(Ti{sub 0.7}Zr{sub 0.3})O{sub 3} films are investigated. Micro x-ray diffraction measurements clearly show that the volume fraction of the c-domain increases irreversibly as the poling field is increased, leading to changes in the remanent polarization, dielectric constant, and piezoelectric coefficient. Theoretical estimations well explain the changes of remanent polarization and dielectric constant, but the increase in piezoelectric coefficient is much larger than the theoretical estimation. In-situ x-ray diffraction analysis under an electric field reveals that this disagreement is due to the unexpected activation of the ferroelastic domain wall motion. Our results provide new insight into the poling effect on the electric and piezoelectric properties of ferroelectric films.

  15. Photoluminescence in Pb{sub 0.95}Sr{sub 0.05}(Zr{sub 1?x}Ti{sub x}){sub 1?y}Cr{sub y}O{sub 3} ferroelectric ceramic system

    SciTech Connect (OSTI)

    Hernndez-Garca, M.; Costa-Marrero, J.; Durruthy-Rodrguez, M. D.; Caldern-Piar, F.; Guerra, J. D. S.; Yaez-Limn, J. M.

    2014-07-28

    Over the past several years, there has been a remarkable growth and development in new ceramic and/or composite materials to be used in the electro-electronic industry. Ferroelectric materials have been recognized for their multifunctional physical properties; also, their optical properties are a subject of intense research effort due to their possible electro-optic applications. In this work, the visible photoluminescence effect is analyzed at room temperature in a sintered Pb{sub 0.95}Sr{sub 0.05}(Zr{sub 1?x}Ti{sub x}){sub 1?y}Cr{sub y}O{sub 3} perovskite-type structure system, doped with Sr and Cr. The excitation bands used were 267, 325, 373, 457, 635, and 680?nm, but the best result was obtained at 373?nm. The intensity and energy of such emission in this system have been studied by changing the molar Cr concentration (0?Zr or Ti ions in the symmetry presented in the rhombohedral or tetragonal side of the MPB are more important. Additionally, structural and micro-structural measurements were performed by the x-ray diffraction and scanning electron microscopy techniques, respectively. The micro-Raman technique is also used in the study of this set of samples, which allows finding the Raman shift modes and the influence on the structural changes of the dopants.

  16. A new Bi{sub 0.5}Na{sub 0.5}TiO{sub 3} based lead-free piezoelectric system with calculated end-member Bi(Zn{sub 0.5}Hf{sub 0.5})O{sub 3}

    SciTech Connect (OSTI)

    Liu, Feng; Wahyudi, Olivia; Li, Yongxiang

    2014-03-21

    The phase structure, dielectric and piezoelectric properties of a new lead-free piezoelectric system (1???x)Bi{sub 0.5}Na{sub 0.5}TiO{sub 3}xBi(Zn{sub 0.5}Hf{sub 0.5})O{sub 3} [(1???x)BNTxBZH, x?=?0, 0.01, 0.02, 0.03, and 0.04] were investigated. The structure of Bi(Zn{sub 0.5}Hf{sub 0.5})O{sub 3} was calculated using first-principles method and (1???x)BNTxBZH ceramics were fabricated by conventional solid-state process. At room temperature, a morphotropic phase boundary (MPB) from rhombohedral to pseudocubic is identified near x?=?0.02 by the analysis of X-ray diffraction patterns. The ceramics with MPB near room temperature exhibit excellent electrical properties: the Curie temperature, maximum polarization, remnant polarization, and coercive field are 340?C, 56.3??C/cm{sup 2}, 43.5??C/cm{sup 2}, and 5.4?kV/mm, respectively, while the maximum positive bipolar strain and piezoelectric coefficient are 0.09% and 92 pC/N, respectively. In addition, a linear relationship between the MPB phase boundary composition and the calculated tetragonality of non-BNT end-member was demonstrated. Thus, this study not only shows a new BNT-based lead-free piezoelectric system but also suggest a new way to predict the composition at MPB a priori when designing new lead-free piezoelectric system.

  17. Temperature driven nano-domain evolution in lead-free Ba(Zr{sub 0.2}Ti{sub 0.8})O{sub 3}-50(Ba{sub 0.7}Ca{sub 0.3})TiO{sub 3} piezoceramics

    SciTech Connect (OSTI)

    Lu, Shengbo Xu, Zhengkui; Su, Shi; Zuo, Ruzhong

    2014-07-21

    Hierarchical micro- and nanoscale domain structures in Pb-free Ba(Zr{sub 0.2}Ti{sub 0.8})O{sub 3}-50(Ba{sub 0.7}Ca{sub 0.3})TiO{sub 3} piezoceramics were investigated by transmission electron microscopy. In situ heating and cooling studies of domain structure evolution reveal an irreversible domain transformation from a wedge-shaped rhombohedral nanodomain structure to a lamellar tetragonal domain structure, which could be associated with strong piezoelectricity in Ba(Zr{sub 0.2}Ti{sub 0.8})O{sub 3}-50(Ba{sub 0.7}Ca{sub 0.3})TiO{sub 3} piezoceramics.

  18. Ceramic plasma-sprayed coating of melting crucibles for casting metal fuel slugs

    SciTech Connect (OSTI)

    K.H. Kim; C.T. Lee; C.B. Lee; R.S. Fielding; J.R. Kennedy

    2013-10-01

    Thermal cycling and melt reaction studies of ceramic coatings plasma-sprayed on Nb substrates were carried out to evaluate the performance of barrier coatings for metallic fuel casting applications. Thermal cycling tests of the ceramic plasma-sprayed coatings to 1450 degrees C showed that HfN, TiC, ZrC, and Y2O3 coating had good cycling characteristics with few interconnected cracks even after 20 cycles. Interaction studies by 1550 degrees C melt dipping tests of the plasma-sprayed coatings also indicated that HfN and Y2O3 do not form significant reaction layer between U20 wt.% Zr melt and the coating layer. Plasma-sprayed Y2O3 coating exhibited the most promising characteristics among HfN, TiC, ZrC, and Y2O3 coating.

  19. Structure and ferroelectric studies of (Ba{sub 0.85}Ca{sub 0.15})(Ti{sub 0.9}Zr{sub 0.1})O{sub 3} piezoelectric ceramics

    SciTech Connect (OSTI)

    Venkata Ramana, E.; Mahajan, A.; Graa, M.P.F.; Mendiratta, S.K.; Monteiro, J.M.; Valente, M.A.

    2013-10-15

    Graphical abstract: - Highlights: (Ba{sub 0.85}Ca{sub 0.15})(Ti{sub 0.9}Zr{sub 0.1})O{sub 3} (BCTZO) ceramic was synthesized by the ceramic method. In situ XRD and Raman spectra showed the phase transition of BCTZO around 360 K. The ceramics showed a tunability of 82% at 40 kV cm{sup ?1} electric field. BCTZO exhibited good quality factor of 111 at microwave frequencies. Piezoforce microscopy studies indicated the switchability of ferroelectric domains. - Abstract: We have synthesized and studied the structural and ferroelectric properties of lead-free 0.5(Ba{sub 0.7}Ca{sub 0.3})TiO{sub 3}0.5Ba(Zr{sub 0.2}Ti{sub 0.8})O{sub 3} ceramics in the temperature region of its ferroelectric transition. The synthesized material showed high dielectric constant, low loss and good pyroelectric figure of merit. From the temperature dependent X-ray diffraction measurements, we determined the tricritical point to be in the temperature range of 303400 K. The dielectric measurements indicate a diffuse ferroelectric phase transition (DPT) around 360 K in agreement with the X-ray measurements. We studied the evolution of Raman spectra with temperature to understand the nature of phase transition in BaTiO{sub 3} (BTO) and the BCTZO. The results indicates that the transition of ferroelectricparaelectric state is not sharp as in the case of BTO and the polar state persists through the paraelectric state. In general, our study indicates that there are ferroelectric domains of nanometer size beyond the commonly defined transition temperature. The observation of local piezoelectric hysteresis loop indicated the existence of intrinsic ferroelectric property of the ceramic at the nanoscale. The ceramics exhibited electric field tunable dielectric properties with a tunability of 82% at an applied DC field of 40 kV cm{sup ?1}, low dielectric loss of 0.001 and room temperature pyroelectric coefficient of 6 10{sup ?8} C cm{sup ?2} K{sup ?1} and the detectivity of 1.9 10{sup ?8} C cm{sup ?1} J{sup ?1}; larger than those reported for other BaTiO{sub 3}-based materials. Overall, our results indicate that BCTZO ceramics with coexistence of rhombohedraltetragonal phases is a promising candidate for lead-free ferroelectric applications.

  20. Refining the phase diagram of Pb{sub 1?x}La{sub x}(Zr{sub 0.9}Ti{sub 0.1}){sub 1?x/4}O{sub 3} ceramics by structural, dielectric, and anelastic spectroscopy investigations

    SciTech Connect (OSTI)

    Craciun, F. Cordero, F.; Ciuchi, I. V.; Mitoseriu, L.; Galassi, C.

    2015-05-14

    We present the results of dielectric and anelastic spectroscopy measurements, together with X-ray diffraction investigations, which allow us to establish more precisely the phase diagram of Pb{sub 1?x}La{sub x}(Zr{sub 0.9}Ti{sub 0.1}){sub 1?x/4}O{sub 3} (PLZT x/90/10) in the compositional range around the AFE/FE phase boundary (0??0.032 are antiferroelectric with orthorhombic Pbam structure. In-between, for compositions with 0.025???x???0.032, a coexistence of the AFE/FE phases is evidenced. The use of complementary dielectric and anelastic techniques allows to follow the phase transitions shifts throughout all the interesting composition range and to construct the temperature-composition phase diagram. The tilt instability line, separating the R3c and R3m low and high temperature phases, has been evidenced. Moreover, the new transition, associated with the onset of disordered tilting preceding the long range order of the R3c phase, previously found in Zr-rich Pb(Zr,Ti)O{sub 3}, is confirmed in rhombohedral PLZT x/90/10 compositions.

  1. Phase evolution studies in CaZrTi{sub 2}O{sub 7}−RE{sub 2}Ti{sub 2}O{sub 7} (RE = Nd{sup 3+}, Sm{sup 3+}) system: Futuristic ceramic host matrices for nuclear waste immobilization

    SciTech Connect (OSTI)

    Jafar, M. Achary, S. N. Tyagi, A. K.

    2014-04-24

    Series of compositions with general stoichiometry as Ca{sub 1−x}Zr{sub 1−x}RE{sub 2x}Ti{sub 2}O{sub 7} (RE = Nd{sup 3+}, Sm{sup 3+}) were prepared by solid state reaction and characterized by powder x-ray diffraction technique to unravel the phase fields in the title systems. The phase fields in CaZrTi{sub 2}O{sub 7−}Nd{sub 2}Ti{sub 2}O{sub 7} and CaZrTi{sub 2}O{sub 7−}Sm{sub 2}Ti{sub 2}O{sub 7} systems differed significantly at the rareearth rich regions. The common phase fields like zirconolite-2M, zirconolite-4M, cubic perovskite are observed at the zirconolite rich regions of both systems. Depending on the structure of RE{sub 2}Ti{sub 2}O{sub 7} phase, the cubic pyrochlore or monoclinic RE{sub 2}Ti{sub 2}O{sub 7} phases are observed in the studied system. The observed phase fields in these two systems indicate ionic radius of the rare-earth ion has a dominating role in the phase relations. Further details of the phases and their homogeneity are explained in the text of the manuscript.

  2. Determination of the direct double- β -decay Q value of Zr 96 and atomic masses of Zr 90 - 92 , 94 , 96 and Mo 92 , 94 - 98 , 100

    SciTech Connect (OSTI)

    Gulyuz, K.; Ariche, J.; Bollen, G.; Bustabad, S.; Eibach, M.; Izzo, C.; Novario, S. J.; Redshaw, M.; Ringle, R.; Sandler, R.; Schwarz, S.; Valverde, A. A.

    2015-05-06

    Experimental searches for neutrinoless double-β decay offer one of the best opportunities to look for physics beyond the standard model. Detecting this decay would confirm the Majorana nature of the neutrino, and a measurement of its half-life can be used to determine the absolute neutrino mass scale. Important to both tasks is an accurate knowledge of the Q value of the double-β decay. The LEBIT Penning trap mass spectrometer was used for the first direct experimental determination of the ⁹⁶Zr double-β decay Q value: Qββ=3355.85(15) keV. This value is nearly 7 keV larger than the 2012 Atomic Mass Evaluation [M. Wang et al., Chin. Phys. C 36, 1603 (2012)] value and one order of magnitude more precise. The 3-σ shift is primarily due to a more accurate measurement of the ⁹⁶Zr atomic mass: m(⁹⁶Zr)=95.90827735(17) u. Using the new Q value, the 2νββ-decay matrix element, |M|, is calculated. Improved determinations of the atomic masses of all other zirconium (90-92,94,96Zr) and molybdenum (92,94-98,100Mo) isotopes using both ¹²C₈ and ⁸⁷Rb as references are also reported.

  3. High temperature solid electrolyte fuel cell with ceramic electrodes

    DOE Patents [OSTI]

    Bates, J.L.; Marchant, D.D.

    A solid oxide electrolyte fuel cell is described having a central electrolyte comprised of a HfO/sub 2/ or ZrO/sub 2/ ceramic stabilized and rendered ionically conductive by the addition of Ca, Mg, Y, La, Nd, Sm, Gd, Dy Er, or Yb. The electrolyte is sandwiched between porous electrodes of a HfO/sub 2/ or ZrO/sub 2/ ceramic stabilized by the addition of a rare earth and rendered electronically conductive by the addition of In/sub 2/O/sub 3/. Alternatively, the anode electrode may be made of a metal such as Co, Ni, Ir Pt, or Pd.

  4. High temperature solid electrolyte fuel cell with ceramic electrodes

    DOE Patents [OSTI]

    Marchant, David D.; Bates, J. Lambert

    1984-01-01

    A solid oxide electrolyte fuel cell is described having a central electrolyte comprised of a HfO.sub.2 or ZrO.sub.2 ceramic stabilized and rendered ionically conductive by the addition of Ca, Mg, Y, La, Nd, Sm, Gd, Dy Er, or Yb. The electrolyte is sandwiched between porous electrodes of a HfO.sub.2 or ZrO.sub.2 ceramic stabilized by the addition of a rare earth and rendered electronically conductive by the addition of In.sub.2 O.sub.3. Alternatively, the anode electrode may be made of a metal such as Co, Ni, Ir Pt, or Pd.

  5. Diffused phase transitions in Pb(Zr{sub 0.65}Ti{sub 0.35})O{sub 3}-Pb(Fe{sub 2/3}W{sub 1/3})O{sub 3} multiferroics

    SciTech Connect (OSTI)

    Tirupathi, Patri; Kumar, Nawnit; Pastor, Mukul Pandey, A. C.; Choudhary, R. N. P.

    2015-02-21

    The solid solutions of (1−x)Pb(Zr{sub 0.65}Ti{sub 0.35})O{sub 3}-xPb(Fe{sub 2/3}W{sub 1/3})O{sub 3} in different ratios were fabricated by a high-temperature solid-state reaction method using high-purity oxides for possible multi-ferroic applications. Structural analysis using x-ray diffraction powder patterns of the system by Rietveld refinement method exhibits the formation of rhombohedral phase with R3c space group. Detailed studies of dielectric permittivity as a function of temperature of the systems show that the frequency independent dielectric maximum temperature shifts toward room temperature on increasing x. In addition to this, the degree of diffuseness of the permittivity anomaly is more pronounced for higher content of Pb(Fe{sub 2/3}W{sub 1/3})O{sub 3}, implying the existence of a composition-induced diffuse phase transition for the limited range of compositional ratios. Detailed impedance spectroscopy analysis shows the contributions of grain, grain boundary, and interfacial polarizations in the resistive characteristics and conduction mechanism of the materials. The weak ferromagnetic and saturated ferroelectric loops indicate that system with x = 0.1, 0.2 have good multiferroic characteristics, and may be useful for future spintronic devices.

  6. Softening of antiferroelectricity in PbZrO{sub 3}-Pb(Mn{sub 1/2}W{sub 1/2})O{sub 3} complex perovskite solid solution

    SciTech Connect (OSTI)

    Ren, Zihe; Zhang, Nan; Su, Lun-Wei; Wu, Hua; Ye, Zuo-Guang

    2014-07-14

    A new solid solution of complex perovksite structure, (1-x)PbZrO{sub 3}-xPb(Mn{sub 1/2}W{sub 1/2})O{sub 3} (PZ-xPMnW, with x?=?00.1), is prepared by solid state reaction method. Its crystal structure, dielectric properties, and antiferroelectricity are investigated. It is found that the crystal structure of the solid solution remains in the orthorhombic Pbam symmetry with x???0.1. The induced ferroelectric polarization (P{sub Ind}) is enhanced, whereas the critical field (E{sub Cr}) is decreased, with increasing PMnW concentration, indicating the softening of antiferroelectricity in PZ. The Curie temperature (T{sub C}) is also decreased with the substitution of PMnW for PZ. The grain size is significantly enlarged, which could be attributed to the presence of a transient liquid phase during the sintering process. Measurements of the magnetization by means of SQUID confirm that the Mn ion exists in a high spin state with a 2+ oxidation state. The softening of antiferroelectric order and the improvement in induced polarization make the PZ-PMnW ceramics an interesting material system for such applications as energy storage devices.

  7. Hydrogen Storage Properties of New Hydrogen-Rich BH3NH3-Metal Hydride (TiH2, ZrH2, MgH2, and/or CaH2) Composite Systems

    SciTech Connect (OSTI)

    Choi, Young Joon; Xu, Yimin; Shaw, Wendy J.; Ronnebro, Ewa

    2012-04-19

    Ammonia borane (AB = NH3BH3) is one of the most attractive materials for chemical hydrogen storage due to its high hydrogen contents of 19.6 wt.%, however, impurity levels of borazine, ammonia and diborane in conjunction with foaming and exothermic hydrogen release calls for finding ways to mitigate the decomposition reactions. In this paper we present a solution by mixing AB with metal hydrides (TiH2, ZrH2, MgH2 and CaH2) which have endothermic hydrogen release in order to control the heat release and impurity levels from AB upon decomposition. The composite materials were prepared by mechanical ball milling, and their H2 release properties were characterized by thermogravimetric analysis (TGA) and differential scanning calorimetry (DSC). The formation of volatile products from decomposition side reactions, such as borazine (N3B3H6) was determined by mass spectrometry (MS). Sieverts type pressure-composition-temperature (PCT) gas-solid reaction instrument was adopted to observe the kinetics of the H2 release reactions of the combined systems and neat AB. In situ 11B MAS-NMR revealed a destabilized decomposition pathway. We found that by adding specific metal hydrides to AB we can eliminate the impurities and mitigate the heat release.

  8. Examination Report: OAS-RA-13-01

    Broader source: Energy.gov [DOE]

    California Energy Commission – Energy Efficiency and Conservation Block Grant Program Funds Provided by the American Recovery and Reinvestment Act of 2009

  9. Examination Report: OAS-RA-13-02

    Broader source: Energy.gov [DOE]

    County of Los Angeles – Energy Efficiency and Conservation Block Grant Program Funds Provided by the American Recovery and Reinvestment Act of 2009

  10. Examination Report: OAS-RA-11-18

    Broader source: Energy.gov [DOE]

    Community Action Partnership of the Greater Dayton Area – Weatherization Assistance Program Funds Provided by the American Recovery and Reinvestment Act of 2009

  11. Examination Report: OAS-RA-11-20

    Broader source: Energy.gov [DOE]

    People's Equal Action and Community Effort, Inc. −Weatherization Assistance Program Funds Provided by the American Recovery and Reinvestment Act of 2009

  12. Inspection Report: INS-RA-12-01

    Broader source: Energy.gov [DOE]

    Alleged Misuse of American Recovery and Reinvestment Act Grant Funds by the Western Arizona Council of Governments

  13. Audit Report: OAS-RA-10-05

    Broader source: Energy.gov [DOE]

    Management Controls over the Department's WinSAGA System for Energy Grants Management Under the Recovery Act

  14. Audit Report: OAS-RA-11-08

    Broader source: Energy.gov [DOE]

    Management Alert on Planned Actions Related to the National Energy Technology Laboratory's Simulation-Based Engineering User Center

  15. Audit Letter Report: OAS-RA-L-10-04

    Office of Energy Efficiency and Renewable Energy (EERE)

    Progress in Implementing the Advanced Batteries and Hybrid Components Program under the American Recovery and Reinvestment Act

  16. Audit Report: OAS-RA-10-06

    Office of Energy Efficiency and Renewable Energy (EERE)

    Accounting and Reporting for the American Recovery and Reinvestment Act by the Department of Energy's Funding Recipients

  17. Special Report: OAS-RA-12-14

    Broader source: Energy.gov [DOE]

    Inquiry into the Procurement of Law Firm Services and Management of Law Firm-Disclosed Organizational Conflicts of Interest by the Department of Energy's Loan Programs Office

  18. Audit Report: OAS-RA-12-06

    Broader source: Energy.gov [DOE]

    The Management of Post-Recovery Act Workforce Transition at Office of Environmental Management Sites

  19. Audit Report: OAS-RA-10-13

    Office of Energy Efficiency and Renewable Energy (EERE)

    The Department of Energy's Use of the Weatherization Assistance Program Formula for Allocating Funds under the American Recovery and Reinvestment Act

  20. Audit Report: OAS-RA-10-16

    Broader source: Energy.gov [DOE]

    The Department of Energy's Implementation of the Energy Efficiency and Conservation Block Grant Program under the Recovery and Reinvestment Act: A Status Report

  1. Audit Report: OAS-RA-11-14

    Broader source: Energy.gov [DOE]

    The Department of Energy's Weatherization Assistance Program Funded under the American Recovery and Reinvestment Act for the Commonwealth of Virginia

  2. Special Report: OAS-RA-10-04

    Broader source: Energy.gov [DOE]

    Progress in Implementing the Department of Energy's Weatherization Assistance Program Under the American Recovery and Reinvestment Act

  3. Audit Report: OAS-RA-11-12

    Office of Energy Efficiency and Renewable Energy (EERE)

    The Department of Energy's Weatherization Assistance Program under the American Recovery and Reinvestment Act in the State of Missouri

  4. Preliminary Audit Report: OAS-RA-10-11

    Office of Energy Efficiency and Renewable Energy (EERE)

    Management Controls over the Commonwealth of Virginia's Efforts to Implement the American Recovery and Reinvestment Act Weatherization Assistance Program

  5. Audit Report: OAS-RA-10-07

    Broader source: Energy.gov [DOE]

    Management Alert on Environmental Management's Select Strategy for Disposition of Savannah River Site Depleted Uranium Oxides

  6. Audit Report: OAS-RA-10-14

    Broader source: Energy.gov [DOE]

    Management Controls over the Development and Implementation of the Office of Energy Efficiency and Renewable Energy's Performance and Accountability for Grants in Energy System

  7. Audit Special Report: OAS-RA-10-03

    Office of Energy Efficiency and Renewable Energy (EERE)

    Selected Department of Energy Program Efforts to Implement the American Recovery and Reinvestment Act

  8. Quarry_Post_ROD_RA_4_30_03.pdf

    Office of Legacy Management (LM)

  9. ZIRCONIUMHAFNIUM ISOTOPE EVIDENCE FROM METEORITES FOR THE DECOUPLED SYNTHESIS OF LIGHT AND HEAVY NEUTRON-RICH NUCLEI

    SciTech Connect (OSTI)

    Akram, W.; Schnbchler, M.; Sprung, P.; Vogel, N.

    2013-11-10

    Recent work based on analyses of meteorite and terrestrial whole-rock samples showed that the r- and s- process isotopes of Hf were homogeneously distributed throughout the inner solar system. We report new Hf isotope data for Calcium-Aluminum-rich inclusions (CAIs) of the CV3 carbonaceous chondrite Allende, and novel high-precision Zr isotope data for these CAIs and three carbonaceous chondrites (CM, CO, CK). Our Zr data reveal enrichments in the neutron-rich isotope {sup 96}Zr (?1? in {sup 96}Zr/{sup 90}Zr) for bulk chondrites and CAIs (?2?). Potential isotope effects due to incomplete sample dissolution, galactic and cosmic ray spallation, and the nuclear field shift are assessed and excluded, leading to the conclusion that the {sup 96}Zr isotope variations are of nucleosynthetic origin. The {sup 96}Zr enrichments are coupled with {sup 50}Ti excesses suggesting that both nuclides were produced in the same astrophysical environment. The same CAIs also exhibit deficits in r-process Hf isotopes, which provides strong evidence for a decoupling between the nucleosynthetic processes that produce the light (A ? 130) and heavy (A > 130) neutron-rich isotopes. We propose that the light neutron-capture isotopes largely formed in Type II supernovae (SNeII) with higher mass progenitors than the supernovae that produced the heavy r-process isotopes. In the context of our model, the light isotopes (e.g. {sup 96}Zr) are predominantly synthesized via charged-particle reactions in a high entropy wind environment, in which Hf isotopes are not produced. Collectively, our data indicates that CAIs sampled an excess of materials produced in a normal mass (12-25 M{sub ?}) SNII.

  10. The effect of Cu/Zn molar ratio on CO{sub 2} hydrogenation over Cu/ZnO/ZrO{sub 2}/Al{sub 2}O{sub 3} catalyst

    SciTech Connect (OSTI)

    Shaharun, Salina E-mail: maizats@petronas.com.my; Shaharun, Maizatul S. E-mail: maizats@petronas.com.my; Taha, Mohd F.; Mohamad, Dasmawati

    2014-10-24

    Catalytic hydrogenation of carbon dioxide (CO{sub 2}) to methanol is an attractive way to recycle and utilize CO{sub 2}. A series of Cu/ZnO/Al{sub 2}O{sub 3}/ZrO{sub 2} catalysts (CZAZ) containing different molar ratios of Cu/Zn were prepared by the co-precipitation method and investigated in a stirred slurry autoclave system. The catalysts were characterized by temperature-programmed reduction (TPR), field emission scanning electron microscopy-energy dispersive analysis (FESEM-EDX), X-ray diffraction (XRD) and N{sub 2} adsorption-desorption. Higher surface area, SA{sub BET} values (42.659.9 m{sup 2}/g) are recorded at low (1) and high (5) Cu/Zn ratios with the minimum value of 35.71 m{sup 2}/g found for a Cu/Zn of 3. The reducibility of the metal oxides formed after calcination of catalyst samples was also affected due to change in metal-support interaction. At a low reaction temperature of 443 K, total gas pressure of 3.0 MPa and 0.1 g/mL of the CZAZ catalyst, the selectivity to methanol decreased as the Cu/Zn molar ratio increased, and the maximum selectivity of 67.73 was achieved at Cu/Zn molar ratio of 1. With a reaction time of 3h, the best performing catalyst was CZAZ75 with Cu/Zn molar ratio of 5 giving methanol yield of 79.30%.

  11. Measurement of astrophysical S factors and electron screening potentials for d(d, n){sup 3}He reaction In ZrD{sub 2}, TiD{sub 2}, D{sub 2}O, and CD{sub 2} targets in the ultralow energy region using plasma accelerators

    SciTech Connect (OSTI)

    Bystritsky, V. M.; Bystritskii, Vit. M.; Dudkin, G. N.; Filipowicz, M.; Gazi, S.; Huran, J.; Kobzev, A. P.; Mesyats, G. A.; Nechaev, B. A.; Padalko, V. N.; Parzhitskii, S. S.; Pen'kov, F. M.; Philippov, A. V.; Kaminskii, V. L.; Tuleushev, Yu. Zh.; Wozniak, J.

    2012-01-15

    The paper is devoted to study electron screening effect influence on the rate of d(d, n){sup 3}He reaction in the ultralow deuteron collision energy range in the deuterated polyethylene (CD{sub 2}), frozen heavy water (D{sub 2}O) and deuterated metals (ZrD{sub 2} and TiD{sub 2}). The ZrD{sub 2} and TiD{sub 2} targets were fabricated via magnetron sputtering of titanium and zirconium in gas (deuterium) environment. The experiments have been carried out using high-current plasma pulsed accelerator with forming of inverse Z pinch (HCEIRAS, Russia) and pulsed Hall plasma accelerator (NPI at TPU, Russia). The detection of neutrons with energy of 2.5MeV from dd reaction was done with plastic scintillation spectrometers. As a result of the experiments the energy dependences of astrophysical S factor for the dd reaction in the deuteron collision energy range of 2-7 keV and the values of the electron screening potential U{sub e} of interacting deuterons have been measured for the indicated above target: U{sub e}(CD{sub 2}) Less-Than-Or-Slanted-Equal-To 40 eV; U{sub e}(D{sub 2}O) Less-Than-Or-Slanted-Equal-To 26 eV; U{sub e}(ZrD{sub 2}) = 157 {+-} 43 eV; U{sub e}(TiD{sub 2}) = 125{+-}34 eV. The value of astrophysical S factor, corresponding to the deuteron collision energy equal to zero, in the experiments with D{sub 2}O target is found: S{sub b}(0) = 58.6 {+-} 3.6 keV b. The paper compares our results with other available published experimental and calculated data.

  12. TU-F-12A-01: Quantitative Non-Linear Compartment Modeling of 89Zr- and 124I- Labeled J591 Monoclonal Antibody Kinetics Using Serial Non-Invasive Positron Emission Tomography Imaging in a Pre-Clinical Human Prostate Cancer Mouse Model

    SciTech Connect (OSTI)

    Fung, EK; Cheal, SM; Chalasani, S; Fareedy, SB; Punzalan, B; Humm, JL; Osborne, JR; Larson, SM; Zanzonico, PB; Otto, B; Bander, NH

    2014-06-15

    Purpose: To examine the binding kinetics of human IgG monoclonal antibody J591 which targets prostate-specific membrane antigen (PSMA) in a pre-clinical mouse cancer model using quantitative PET compartmental analysis of two radiolabeled variants. Methods: PSMA is expressed in normal human prostate, and becomes highly upregulated in prostate cancer, making it a promising therapeutic target. Two forms of J591, radiolabeled with either {sup 89}Zr or {sup 124}I, were prepared. {sup 89}Zr is a radiometal that becomes trapped in the cell upon internalization by the antigen-antibody complex, while radioiodine leaves the cell. Mice with prostate cancer xenografts underwent non-invasive serial imaging on a Focus 120 microPET up to 144 hours post-injection of J591. A non-linear compartmental model describing the binding and internalization of antibody in tumor xenograft was developed and applied to the PET-derived time-activity curves. The antibody-antigen association rate constant (ka), total amount of antigen per gram tumor (Ag-total), internalization rate of antibody-antigen complex, and efflux rate of radioisotope from tumor were fitted using the model. The surface-bound and the internalized activity were also estimated. Results: Values for ka, Ag-total, and internalization rate were found to be similar regardless of radiolabel payload used. The efflux rate, however, was ? 9-fold higher for {sup 124}I-J591 than for {sup 89}Zr-J591. Time-dependent surface-bound and internalized radiotracer activity were similar for both radiolabels at early times post-injection, but clearly differed beyond 24 hours. Conclusion: Binding and internalization of J591 to PSMA-expressing tumor xenografts were similar when radiolabeled with either {sup 89}Zr or {sup 124}I payload. The difference in efflux of radioactivity from tumor may be attributable to differential biological fate intracellularly of the radioisotopes. This has great significance for radioimmunotherapy and antibody-drug conjugates. Further exploration using the model will examine binding and radioisotope residence as antibody dose is increased to antigen saturation. The Center for Targeted Radioimmunotherapy and Theranostics, Ludwig Center for Cancer Immunotherapy, Memorial Sloan Kettering Cancer Center (MSK), NIH (R25-CA096945). Technical services provided by the MSK Small-Animal Imaging Core Facility were supported by the NIH (R24-CA83084, P30-CA08748, and P50-CA92629; Zanzonico). NCI, Center to Reduce Cancer Health Disparity (R21 CA153177-03; Osborne)

  13. Buffer architecture for biaxially textured structures and method of fabricating same

    DOE Patents [OSTI]

    Norton, David P.; Park, Chan; Goyal, Amit

    2004-04-06

    The invention relates to an article with an improved buffer layer architecture comprising a substrate having a metal surface, and an epitaxial buffer layer on the surface of the substrate. The epitaxial buffer layer comprises at least one of the group consisting of ZrO.sub.2, HfO.sub.2, and compounds having at least one of Ca and a rare earth element stabilizing cubic phases of ZrO.sub.2 and/or HfO.sub.2. The article can also include a superconducting layer deposited on the epitaxial buffer layer. The article can also include an epitaxial capping layer between the epitaxial buffer layer and the superconducting layer. A method for preparing an epitaxial article comprises providing a substrate with a metal surface, depositing on the metal surface an epitaxial buffer layer comprising at least one material selected from the group consisting of ZrO.sub.2, HfO.sub.2, and compounds having at least one of Ca and a rare earth element stabilizing cubic phases of at least one of ZrO.sub.2 and HfO.sub.2. The epitaxial layer depositing step occurs in a vacuum with a background pressure of no more than 1.times.10.sup.-5 Torr. The method can further comprise depositing a superconducting layer on the epitaxial layer, and depositing an epitaxial capping layer between the epitaxial buffer layer and the superconducting layer.

  14. Polyorganometallosiloxane-2- or -4-pyridine coatings

    DOE Patents [OSTI]

    Sugama, Toshifumi (Wading River, NY)

    1997-01-01

    A new family of polyorganometallosiloxane-2- or -4-pyridine compounds are provided for corrosion resistant coatings on light metals such as aluminum, magnesium, zinc, steel and their allows. The novel compounds contain backbones modified by metal alkoxides, metallocenes and metallophthalocyanates where the metal is Zr, Ti, Mo, V, Hf, Nb, Si, B and combinations thereof. Methods of making the new compounds are also provided.

  15. Microsoft Word - Zr-ORNL-final-IV

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

    University, 227 Reber Building, University Park, PA 16802, atm2@psu.edu 10. Donald Brenner, Department of Material Science and Engineering, North Carolina State University,...

  16. Evolution of magnetic properties and microstructure of Hf{sub...

    Office of Scientific and Technical Information (OSTI)

    have been crystallized by annealing at 500-800 C, and the products have been investigated using magnetization measurements, x-ray diffraction, and scanning electron microscopy. ...

  17. 1800 Engineered Safety Work Planning and Controls and HF Delivery...

    Office of Scientific and Technical Information (OSTI)

    Have feedback or suggestions for a way to improve these results? Save Share this Record Citation Formats MLA APA Chicago Bibtex Export Metadata Endnote Excel CSV XML Save to My ...

  18. Temperature dependent Raman scattering and far-infrared reflectance spectra of MgO modified Pb{sub 0.99}(Zr{sub 0.95}Ti{sub 0.05}){sub 0.98}Nb{sub 0.02}O{sub 3} ceramics: A composition effect

    SciTech Connect (OSTI)

    Duan, Z. H.; Chang, P.; Hu, Z. G. Chu, J. H.; Wang, J. X.; Wang, G. S.; Dong, X. L.

    2014-09-07

    Lattice dynamics and phase transition of MgO modified Pb{sub 0.99}(Zr{sub 0.95}Ti{sub 0.05}){sub 0.98}Nb{sub 0.02}O{sub 3} (PZTN-x wt. % MgO, x?=?0, 0.1, 0.2, 0.5) ceramics have been investigated by far-infrared (FIR) reflectance in the temperature range of 5.5300?K and Raman spectra between 77 and 300?K, respectively. With the aid of above complementary methods, the structure of all ceramics was defined as low-temperature ferroelectric rhombohedral phase [F{sub R(LT)}] at room temperature. The FIR dielectric functions were extracted from the multi-Lorentz oscillator dispersion model. The lowest frequency phonon mode, which is related to Pb-BO{sub 3} (B?=?Zr, Ti, Nb) vibration, mainly dominates the FIR dielectric response. With increasing MgO composition, the dielectric constants ?(0) at room temperature are estimated to 85.4, 73.4, 73.9, and 41.9, respectively. The decreasing trend can be due to the doubly ionized oxygen vacancies induced by Mg substitution for B-site. The order-disorder phase transition located around 120?K can be clearly clarified from temperature evolution of phonon frequency, damping, and intensity. It decreases slightly with increasing MgO composition, which influence the distortion due to the broken correlation chains and local permanent dipoles creation. Moreover, the transformation from antiferroelectric orthorhombic A{sub O} to [ F{sub R(LT)} ] phase has been observed around 250?K, which is associated with the antiferroelectric displacement of Pb atoms along ? 110 ? and coupled rotations of the corner-connected oxygen octahedral. Furthermore, the transition from [ F{sub R(LT)} ] to [ F{sub R(HT)} ] (high-temperature ferroelectric rhombohedral phase) was identified around 290?K for MgO-doped PZTN ceramics. It arises from the shift of cation (Pb and Zr/Ti/Nb/Mg ions) along the ? 111 ? direction and the transition temperature slightly decreases compared to the pure ceramic.

  19. Size and charge effects of dopant M on the unit-cell parameters of monoclinic zirconia solid solutions Zr{sub 0.98}M{sub 0.02}O{sub 2{minus}{delta}} (M = Ce, La, Nd, Sm, Y, Er, Yb, Sc, Mg, Ca)

    SciTech Connect (OSTI)

    Yashima, Masatomo; Kakihana, Masato; Yoshimura, Masahiro; Hirose, Teruo; Suzuki, Yasuo

    1997-01-01

    The crystal structure of monoclinic phase [P2{sub 1}/c, Z = 4] has been refined by the Rietveld analysis of X-ray powder diffraction data to study the size and charge effects of dopant M{sup n+} on the unit-cell parameters of monoclinic ZrO{sub 2}-2 mol% MO{sub n/2} solid solutions (n = 4 for M = Ce; n = 3 for M = La, Nd, Sm, Y, Er, Yb, Sc; and n = 2 for M = Mg and Ca). For trivalent dopant (n = 3), the unit-cell parameters a{sub m}, b{sub m}, c{sub m} and unit-cell volume increase and {beta}{sub m} decreases with an increase of dopant size. Unit-cell volume increases with increasing of dopant charge n.

  20. The A-site driven phase transition procedure of (Pb{sub 0.97}La{sub 0.02})(Zr{sub 0.42}Sn{sub 0.40}Ti{sub 0.18})O{sub 3} ceramics: An evidence from electronic structure variation

    SciTech Connect (OSTI)

    Chen, X.; Jiang, P. P; Duan, Z. H.; Hu, Z. G. Chu, J. H.; Chen, X. F.; Wang, G. S.; Dong, X. L.

    2013-11-04

    The transition of (Pb{sub 0.97}La{sub 0.02})(Zr{sub 0.42}Sn{sub 0.40}Ti{sub 0.18})O{sub 3} (PLZST) ceramic has been investigated by temperature-dependent X-ray diffraction (XRD) and spectroscopic ellipsometry (SE). The rhombohedral and tetragonal symmetries are confirmed by XRD analysis. Two interband transitions (E{sub cp1} and E{sub cp2}) located at about 3.7 and 5.2?eV can be derived from the second derivative of the complex dielectric functions using the standard critical point (SCP) model. Except for the negative temperature coefficient parts, the transitions present additional parts corresponding to appearance of the antiferroelectric (AFE) phase. The phenomena can be attributed to variation of the electronic structure during A-site driven phase transition.