Sample records for zr accelerator water

  1. Arsenic and fluoride removal from contaminated drinking water with Haix-Fe-Zr and Haix-Zr resin beads.

    PubMed

    Phillips, Debra H; Sen Gupta, Bhaskar; Mukhopadhyay, Soumyadeep; Sen Gupta, Arup K

    2018-06-01

    The objective of the study was to carry-out batch tests to examine the effectiveness of Haix-Fe-Zr and Haix-Zr resin beads in the removal of As(III), As(V) and F - from groundwater with a similar geochemistry to a site where a community-based drinking water plant has been installed in West Bengal, India. The groundwater was spiked separately with ∼200 μg/L As(III) and As(V) and 5 mg/L F - . Haix-Zr resin beads were more effective than Haix-Fe-Zr resin beads in removing As(III) and As(V). Haix-Zr resin beads showed higher removal of As(V) compared to As(III). Haix-Zr resin beads removed As(V) below the WHO (10 μg/L) drinking water standards at 8.79 μg/L after 4 h of shaking, while As(III) was reduced to 7.72 μg/L after 8 h of shaking. Haix-Fe-Zr resin beads were more effective in removing F - from the spiked groundwater compared to Haix-Zr resin beads. Concentrations of F - decreased from 6.27 mg/L to 1.26 mg/L, which is below the WHO drinking water standards (1.5 mg/L) for F - , after 15 min of shaking with Haix-Fe-Zr resin beads. After 20 min of shaking in groundwater treated with Haix-Zr resin beads, F - concentrations decreased from 6.27 mg/L to 1.43 mg/L. In the removal of As(III), As(V), and F - from the groundwater, Haix-Fe-Zr and Haix-Zr resin beads fit the parabolic diffusion equation (PDE) suggesting that adsorption of these contaminants was consistent with inter-particle diffusion. Copyright © 2018 Elsevier Ltd. All rights reserved.

  2. Anisotropic hydrogen diffusion in α-Zr and Zircaloy predicted by accelerated kinetic Monte Carlo simulations

    NASA Astrophysics Data System (ADS)

    Zhang, Yongfeng; Jiang, Chao; Bai, Xianming

    2017-01-01

    This report presents an accelerated kinetic Monte Carlo (KMC) method to compute the diffusivity of hydrogen in hcp metals and alloys, considering both thermally activated hopping and quantum tunneling. The acceleration is achieved by replacing regular KMC jumps in trapping energy basins formed by neighboring tetrahedral interstitial sites, with analytical solutions for basin exiting time and probability. Parameterized by density functional theory (DFT) calculations, the accelerated KMC method is shown to be capable of efficiently calculating hydrogen diffusivity in α-Zr and Zircaloy, without altering the kinetics of long-range diffusion. Above room temperature, hydrogen diffusion in α-Zr and Zircaloy is dominated by thermal hopping, with negligible contribution from quantum tunneling. The diffusivity predicted by this DFT + KMC approach agrees well with that from previous independent experiments and theories, without using any data fitting. The diffusivity along is found to be slightly higher than that along , with the anisotropy saturated at about 1.20 at high temperatures, resolving contradictory results in previous experiments. Demonstrated using hydrogen diffusion in α-Zr, the same method can be extended for on-lattice diffusion in hcp metals, or systems with similar trapping basins.

  3. Anisotropic hydrogen diffusion in α-Zr and Zircaloy predicted by accelerated kinetic Monte Carlo simulations

    PubMed Central

    Zhang, Yongfeng; Jiang, Chao; Bai, Xianming

    2017-01-01

    This report presents an accelerated kinetic Monte Carlo (KMC) method to compute the diffusivity of hydrogen in hcp metals and alloys, considering both thermally activated hopping and quantum tunneling. The acceleration is achieved by replacing regular KMC jumps in trapping energy basins formed by neighboring tetrahedral interstitial sites, with analytical solutions for basin exiting time and probability. Parameterized by density functional theory (DFT) calculations, the accelerated KMC method is shown to be capable of efficiently calculating hydrogen diffusivity in α-Zr and Zircaloy, without altering the kinetics of long-range diffusion. Above room temperature, hydrogen diffusion in α-Zr and Zircaloy is dominated by thermal hopping, with negligible contribution from quantum tunneling. The diffusivity predicted by this DFT + KMC approach agrees well with that from previous independent experiments and theories, without using any data fitting. The diffusivity along is found to be slightly higher than that along , with the anisotropy saturated at about 1.20 at high temperatures, resolving contradictory results in previous experiments. Demonstrated using hydrogen diffusion in α-Zr, the same method can be extended for on-lattice diffusion in hcp metals, or systems with similar trapping basins. PMID:28106154

  4. Anisotropic hydrogen diffusion in α-Zr and Zircaloy predicted by accelerated kinetic Monte Carlo simulations

    DOE PAGES

    Zhang, Yongfeng; Jiang, Chao; Bai, Xianming

    2017-01-20

    Here, this report presents an accelerated kinetic Monte Carlo (KMC) method to compute the diffusivity of hydrogen in hcp metals and alloys, considering both thermally activated hopping and quantum tunneling. The acceleration is achieved by replacing regular KMC jumps in trapping energy basins formed by neighboring tetrahedral interstitial sites, with analytical solutions for basin exiting time and probability. Parameterized by density functional theory (DFT) calculations, the accelerated KMC method is shown to be capable of efficiently calculating hydrogen diffusivity in α-Zr and Zircaloy, without altering the kinetics of long-range diffusion. Above room temperature, hydrogen diffusion in α-Zr and Zircaloy ismore » dominated by thermal hopping, with negligible contribution from quantum tunneling. The diffusivity predicted by this DFT + KMC approach agrees well with that from previous independent experiments and theories, without using any data fitting. The diffusivity along < c > is found to be slightly higher than that along < a >, with the anisotropy saturated at about 1.20 at high temperatures, resolving contradictory results in previous experiments. Demonstrated using hydrogen diffusion in α-Zr, the same method can be extended for on-lattice diffusion in hcp metals, or systems with similar trapping basins.« less

  5. Production of 92Y via the 92Zr(n,p) reaction using the C(d,n) accelerator neutron source

    NASA Astrophysics Data System (ADS)

    Kin, Tadahiro; Sanzen, Yukimasa; Kamida, Masaki; Watanabe, Yukinobu; Itoh, Masatoshi

    2017-09-01

    We have proposed a new method of producing medical radioisotope 92Y as a candidate of alternatives of 111In bioscan prior to 90Y ibritumomab tiuxetan treatment. The 92Y isotope is produced via the 92Zr (n,p) reaction using accelerator neutrons generated by the interaction of deuteron beams with carbon. A feasibility experiment was performed at Cyclotron and Radioisotope Center, Tohoku University. A carbon thick target was irradiated by 20-MeV deuterons to produce accelerator neutrons. The thick target neutron yield (TTNY) was measured by using the multiple foils activation method. The foils were made of Al, Fe, Co, Ni, Zn, Zr, Nb, and Au. The production amount of 92Y and induced impurities were estimated by simulation with the measured TTNY and the JENDL-4.0 nuclear data.

  6. The behaviour of REE and Zr-Hf fractionation in the volcanic waters of Nevado del Ruiz system (Colombia)

    NASA Astrophysics Data System (ADS)

    Inguaggiato, Claudio; Censi, Paolo; Zuddas, Pierpaolo; Makario Londoño, John; Chacón, Zoraida; Alzate, Diego; Brusca, Lorenzo; D'Alessandro, Walter

    2015-04-01

    The geochemical behaviour of Rare Earth Element (REE), Zr and Hf have been investigated in the thermal waters of Nevado del Ruiz volcanic system. These fluids are characterised by a wide range of pH ranging between 1.0 and 8.8. The acidic waters are sulphate dominated with different Cl/SO4 ratios. The Nevado del Ruiz waters allowed to investigate the behaviour of investigated elements in a wide spectrum of pH and chemical composition of water. The important role of the pH and the ionic complexes have been evidenced in the distribution of REE, Zr and Hf in the aqueous phase. The pH rules the precipitation of authigenic oxyhydroxides of Fe, Al producing changes in REE, Zr, Hf amount and strong anomalies of Cerium and Europium. Y-Ho and Zr-Hf (twin pairs) have different behaviour in strong acidic waters with respect to the water with higher pH. Yttrium and Ho have the same behaviour of Zr and Hf in waters with pH near neutral-to-neutral, showing super-chondritic ratios. The twin pairs showed to be sensitive to the co-precipitation and/or adsorption onto the surface of authigenic particulate suggesting an enhanced scavenging of Ho and Hf respect to Y and Zr, leading to super-chondritic ratios. In acidic waters a different behaviour of twin pairs occurs with chondritic Y/Ho ratios (reflecting the Y/Ho ratio of average local rock) and sub-chondritic Zr/Hf ratios. For the first time, Zr and Hf have been investigated in natural acidic fluids to understand the behaviour of these elements in extreme acidic conditions and different major anions chemistry. Zr/Hf molar ratio changes from 4.75 to 49.29 in water with pH<3.6. In strong acidic waters, a different fractionation of Zr and Hf have been recognised as function of major anion contents (Cl and SO4), suggesting the formation of complexes leading to sub-chondritic Zr/Hf molar ratios.

  7. Palladium-doped-ZrO2-multiwalled carbon nanotubes nanocomposite: an advanced photocatalyst for water treatment

    NASA Astrophysics Data System (ADS)

    Anku, William Wilson; Oppong, Samuel Osei-Bonsu; Shukla, Sudheesh Kumar; Agorku, Eric Selorm; Govender, Poomani Penny

    2016-06-01

    The photocatalytic degradation of organic pollutants from water using palladium-doped-zirconium oxide-multiwalled carbon nanotubes (Pd-ZrO2-MWCNTs) nanocomposites is presented. A series of Pd doped-ZrO2-MWCNTs nanocomposites with varying percentage compositions of Pd were prepared by the homogenous co-precipitation method. The photocatalytic applicability of the materials was investigated by the degradation of acid blue 40 dye in water under simulated solar light. The optical, morphological and structural properties of the nanocomposites were evaluated using X-ray powder diffraction, Fourier transformer infrared spectroscopy, scanning electron microscopy, transmission electron microscopy, BET surface area analysis and (UV-Vis) spectroscopy. The Pd-ZrO2-MWCNTs nanocomposites showed enhanced photocatalytic activity toward the degradation of the acid blue 40 dye under visible light compared with bare ZrO2 and ZrO2-MWCNTs alone. The remarkable photocatalytic activity of Pd-ZrO2-MWCNTs nanocomposites in the visible light makes it an ideal photocatalyst for the removal of organic pollutants in water. The 0.5 % Pd-ZrO2-MWCNT was the most efficient photocatalyst with 98 % degradation after 3 h with corresponding K a and band gap values of 16.8 × 10-3 m-1 and 2.79 eV, respectively.

  8. a Novel Catalyst for Reductive Dechlorination of Chlorobenzene in Subcritical Water:. Bifunctional Fe/ZrO2

    NASA Astrophysics Data System (ADS)

    Wei, Guang-Tao; Wei, Chao-Hai; He, Feng-Mei; Wu, Chao-Fei

    Bifunctional Fe/ZrO2 was prepared by mechanical mixing method, and its bifunctional effect on reductive dechlorination of chlorobenzene in subcritical water was studied. Dechlorination efficiency increased with increasing iron content in catalyst and catalyst amount. Dechlorination efficiency slowed when the iron content in catalyst reached 30%; bifunctional catalyst of Fe/ZrO2 was more efficient in dechlorination of chlorobenzene than Fe alone. Catalyst of Fe (30%)/ZrO2 was characterized by means of X-ray diffraction (XRD), H2 temperature programmed desorption (H2-TPD), and N2 adsorption. The possible mechanism of dechlorination in subcritical water by this bifunctional catalyst was proposed. H+ produced in the water dissociation formed the highly reactive spillover hydrogen on the surface of catalyst, and then reacted with chlorobenzene adsorbed on the catalyst surface by ZrO2 to form benzene and chloride ions.

  9. Trade-off between Zr Passivation and Sn Doping on Hematite Nanorod Photoanodes for Efficient Solar Water Oxidation: Effects of a ZrO2 Underlayer and FTO Deformation.

    PubMed

    Subramanian, Arunprabaharan; Annamalai, Alagappan; Lee, Hyun Hwi; Choi, Sun Hee; Ryu, Jungho; Park, Jung Hee; Jang, Jum Suk

    2016-08-03

    Herein we report the influence of a ZrO2 underlayer on the PEC (photoelectrochemical) behavior of hematite nanorod photoanodes for efficient solar water splitting. Particular attention was given to the cathodic shift in onset potential and photocurrent enhancement. Akaganite (β-FeOOH) nanorods were grown on ZrO2-coated FTO (fluorine-doped tin oxide) substrates. Sintering at 800 °C transformed akaganite to the hematite (α-Fe2O3) phase and induced Sn diffusion into the crystal structure of hematite nanorods from the FTO substrates and surface migration, shallow doping of Zr atoms from the ZrO2 underlayer. The ZrO2 underlayer-treated photoanode showed better water oxidation performance compared to the pristine (α-Fe2O3) photoanode. A cathodic shift in the onset potential and photocurrent enhancement was achieved by surface passivation and shallow doping of Zr from the ZrO2 underlayer, along with Sn doping from the FTO substrate to the crystal lattice of hematite nanorods. The Zr based hematite nanorod photoanode achieved 1 mA/cm(2) at 1.23 VRHE with a low turn-on voltage of 0.80 VRHE. Sn doping and Zr passivation, as well as shallow doping, were confirmed by XPS, Iph, and M-S plot analyses. Electrochemical impedance spectroscopy revealed that the presence of a ZrO2 underlayer decreased the deformation of FTO substrate, improved electron transfer at the hematite/FTO interface and increased charge-transfer resistance at the electrolyte/hematite interface. This is the first systematic investigation of the effects of Zr passivation, shallow doping, and Sn doping on hematite nanorod photoanodes through application of a ZrO2 underlayer on the FTO substrate.

  10. The preparation and activity of Cu-Fe-Zr-Ce based catalysts for water gas shift

    NASA Astrophysics Data System (ADS)

    Wu, H. D.; Liu, T. S.; Liu, H. Z.

    2018-01-01

    CeO2-ZrO2 composite oxide was synthesized with precipitation method as support and CuaFeb(ZrCe4)8Ox catalysts were prepared by impregnation; X-ray diffraction, H2 temperature program reduction, and scanning electron microscope techniques were jointly used to characterize the crystal phases and reduction properties of catalysts. Then the activity of catalysts in water gas shift was studied, thus investigated how catalyst composition impacted the water gas shift. Conclusions drew from the results can be briefly stated. CuaFeb(ZrCe4)8Ox was provided with stable cubic crystalline framework and Cu and Fe, as the active components, was highly dispersed on the surface of supports in the form of CuO and Fe2O3 respectively. The strong interactions between copper and iron component enhanced the reducing capacity of CuO and Fe2O3. CuaFeb(ZrCe4)8Ox catalysts exhibited high catalytic activity and selectivity while the main active components were Cu and Fe3O4. The CO conversion rate reached 96% when Cu7Fe3(ZrCe4)8Ox catalysts was used in water gas shift at 623K and the only products were H2 and CO2. The activity was still desirable even the catalysts was applied at 723K.

  11. Accelerated development of Zr-containing new generation ferritic steels for advanced nuclear reactors

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    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 computationalmore » 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 (Fe 2+) irradiation.« less

  12. Accelerate Water Quality Improvement

    EPA Pesticide Factsheets

    EPA is committed to accelerating water quality improvement and minimizing negative impacts to aquatic life from contaminants and other stressors in the Bay Delta Estuary by working with California Water Boards to strengthen water quality improvement plans.

  13. Effects of Zr/Ce molar ratio and water content on thermal stability and structure of ZrO{sub 2}–CeO{sub 2} mixed oxides prepared via sol–gel process

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Huang, Wenzhi; Yang, Jili; Wang, Chunjie

    2012-09-15

    Highlights: ► Tetragonal t″ phase was stabilized in Zr{sub 0.5}Ce{sub 0.5}O{sub 2} solid solution at temperature as high as 1000 °C. ► Specific surface area of powders decreased with the increase of water addition and the Ce content. ► The single stable phase was controlled by adjusting the volume ratio of water and ethanol. ► Tetragonal (t″) phase dissociated into cubic and tetragonal (t′) phases at 1200 °C. -- Abstract: ZrO{sub 2}–CeO{sub 2} mixed oxides were synthesized via sol–gel process. Thermal stability, structure and morphology of samples were investigated by powder X-ray diffraction, FT-Raman spectroscopy, X-ray photoelectron spectroscopy and scanningmore » electron microscopy. In this approach, the solvent composition and Zr/Ce molar ratio have great influences on the structure and morphology of final products. With decreasing water content in the mixed solvent, specific surface area of powders increased and the single tetragonal phase was obtained. Only when the volume ratio of water and ethanol and the Zr/Ce molar ratio were 1:1, tetragonal t″-Zr{sub 0.5}Ce{sub 0.5}O{sub 2} could be stabilized in powders at temperature as high as 1000 °C. Meanwhile, tetragonal (t′) and (t″) phases coexisted in Zr{sub 0.5}Ce{sub 0.5}O{sub 2} solid solution without peak splitting after calcination at 1100 °C, further transforming into cubic and tetragonal (t′) phases at 1200 °C. The effective activation energy for Zr{sub 0.5}Ce{sub 0.5}O{sub 2} nanocrystallite growth during annealing is about 5.24 ± 0.15 kJ/mol.« less

  14. AMS of 93Zr: Passive absorber versus gas-filled magnet

    NASA Astrophysics Data System (ADS)

    Hain, Karin; Deneva, Boyana; Faestermann, Thomas; Fimiani, Leticia; Gómez-Guzmán, José Manuel; Koll, Dominik; Korschinek, Gunther; Ludwig, Peter; Sergeyeva, Victoria; Thiollay, Nicolas

    2018-05-01

    Two different isobar separation techniques were tested for the detection of the long-lived fission product 93Zr (T1/2 = 1.64 · 106 a) using Accelerator Mass Spectrometry (AMS), i.e. a passive absorber and a gas-filled magnet, respectively. Both techniques were used in combination with a Time-of-Flight path for the identification of the stable neighboring isotopes 92Zr and 94Zr. The passive absorber was represented by a stack of silicon nitride foils for high flexibility regarding the thickness for optimal isobar separation. Ion beams with a large variety of energies, between 80 and 180 MeV, were provided for this experiment by the tandem accelerator at the Maier-Leibnitz Laboratory in Garching, Germany. With these beams, the stopping powers of 93Zr and 93Nb as a function of energy were determined experimentally and compared to the results obtained with the simulation program SRIM. Considerable discrepancies regarding the energy dependence of the two stopping power curves relative to each other were found. The lowest detection limit for 93Zr achieved with the passive absorber setup was 93Zr/Zr = 1 · 10-10. In comparison, by optimizing the gas-filled magnet set-up, 93Nb was suppressed by around six orders of magnitude and a detection limit of 93Zr/Zr = 5 · 10-11 was obtained. To our knowledge, these results represent the lowest detection limit achieved for 93Zr until now.

  15. The effect of lanthanum on the fabrication of ZrB{sub 2}-ZrC composites by spark plasma sintering

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Kim, Kyoung Hun; Shim, Kwang Bo

    2003-01-15

    The effect of the addition of the rare earth element, lanthanum, on the sintering characteristics of ZrB{sub 2}-ZrC composites has been analyzed during a spark plasma sintering (SPS) process. Microscopic observation confirmed that lanthanum accelerated mass transport by the formation of the liquid phase between the particles induced by the spark plasma in the initial stage of the SPS process, and then these were recrystallized to form a lanthanum-containing secondary phase at the grain boundaries and at the grain boundary triple junctions. In spite of the strong covalent bonding characteristics of the ZrB{sub 2}-ZrC composite there are many well-developed dislocationmore » structures observed. The fracture toughness of the lanthanum-containing ZrB{sub 2}-ZrC is about 2.56 MPa m{sup 1/2}, which is comparable to that of the pure composite. Therefore, it is concluded that lanthanum is very effective as a sintering aid for the ZrB{sub 2}-ZrC composite without any degradation of the mechanical properties.« less

  16. Acceleration induced water removal from ear canals.

    NASA Astrophysics Data System (ADS)

    Kang, Hosung; Averett, Katelee; Jung, Sunghwan

    2017-11-01

    Children and adults commonly experience having water trapped in the ear canals after swimming. To remove the water, individuals will shake their head sideways. Since a child's ear canal has a smaller diameter, it requires more acceleration of the head to remove the trapped water. In this study, we theoretically and experimentally investigated the acceleration required to break the surface meniscus of the water in artificial ear canals and hydrophobic-coated glass tubes. In experiments, ear canal models were 3D-printed from a CT-scanned human head. Also, glass tubes were coated with silane to match the hydrophobicity in ear canals. Then, using a linear stage, we measured the acceleration values required to forcefully eject the water from the artificial ear canals and glass tubes. A theoretical model was developed to predict the critical acceleration at a given tube diameter and water volume by using a modified Rayleigh-Taylor instability. Furthermore, this research can shed light on the potential of long-term brain injury and damage by shaking the head to push the water out of the ear canal. This research was supported by National Science Foundation Grant CBET-1604424.

  17. The evolution of helium from aged Zr tritides: A thermal helium desorption spectrometry study

    NASA Astrophysics Data System (ADS)

    Cheng, G. J.; Huang, G.; Chen, M.; Zhou, X. S.; Liu, J. H.; Peng, S. M.; Ding, W.; Wang, H. F.; Shi, L. Q.

    2018-02-01

    The evolution of He from Zr-tritides was investigated for aging times up to about 6.5 years using analytical thermal helium desorption spectrometry (THDS). Zr films were deposited onto Mo substrates and then converted into Zr-tritides (ZrT1.70∼1.95) inside a tritiding apparatus loaded with pure tritium gas. During aging, there are at least five forms of He in Zr-tritides, and more than 99% of He atoms are in the form of He bubbles. The isolated He bubbles in lattices begin to link with each other when the He/Zr atom ratio reaches about 0.21, and are connected to grain boundaries or dislocation networks at He concentration of He/Zr ≈ 0.26. An interconnected system of channels decorated by bubbles evolves from the network dislocations, dislocation loops and internal boundaries. These He filled networks are formed completely when the He/Zr atom ratio is about 0.38. Once the He/Zr reached about 0.45, the networks of He bubble penetrate to the film surface and He begins an "accelerated release". This critical ratio of He to Zr for He accelerated release is much greater than that found previously for Ti-tritides (0.23-0.30). The difference of He retention in Zr-tritides and Ti-tritides was also discussed in this paper.

  18. Geochemistry of Zr, Hf, and REE in a wide spectrum of Eh and water composition: The case of Dead Sea Fault system (Israel)

    NASA Astrophysics Data System (ADS)

    Censi, P.; Raso, M.; Yechieli, Y.; Ginat, H.; Saiano, F.; Zuddas, P.; Brusca, L.; D'Alessandro, W.; Inguaggiato, C.

    2017-03-01

    Along the Jordan Valley-Dead Sea Fault area several natural waters in springs, wells, and catchments occur. The chemical-physical characters of the studied waters allowed for the first time the investigation of the Zr and Hf geochemical behavior, apart from REE, extended to a wide range of Eh, temperature, salinity, and pH conditions. The results of this study indicate that the dissolved Zr and Hf distribution in natural waters is strongly influenced by redox conditions since these in turn drive the deposition of Fe-oxyhydroxides or pyrite. In oxidizing waters saturated or oversaturated in Fe-oxyhydroxides (Group 1), superchondritic Zr/Hf values are measured. On the contrary, in waters where Eh < 0 values occur (Group 2), chondritic Zr/Hf values are found. Superchondritic Zr/Hf values are produced by the preferential Hf scavenging onto Fe-oxyhydroxides that is inhibited under reducing conditions consistent with the water oversaturation relative to pyrite. Redox conditions also influence the amplitude of Ce and Eu anomalies. Oxidized Group-1 waters show negative Ce anomalies related to the oxidative Ce scavenging as CeO2 onto Fe-oxyhydroxide. Reduced Group-2 waters show positive Eu anomaly values consistent with the larger Eu2+ concentration relative to Eu3+ in these waters suggested by model calculations. The higher stability of Eu2+ with respect to its trivalent neighbors along the REE series can explain the above mentioned positive Eu anomaly values. The middle-REE enrichment observed in shale-normalized REE patterns of studied waters can be ascribed to carbonate and/or gypsum dissolution.

  19. Water bath accelerated curing of concrete.

    DOT National Transportation Integrated Search

    1970-01-01

    Water bath methods for accelerating the strength development of portland cement concrete were investigated in a two phase study as follows. Phase I - Participation in a cooperative accelerated strength testing program sponsored by the American Societ...

  20. Zr-92(d,p)Zr-93 and Zr-92(d,t)Zr-91

    NASA Technical Reports Server (NTRS)

    Baron, N.; Fink, C. L.; Christensen, P. R.; Nickels, J.; Torsteinsen, T.

    1972-01-01

    The structures of Zr-93 and Zr-91 were studied by the stripping reaction Zr-92(d,p)Zr-93 and the pick-up reaction Zr-92(d,t)Zr-91 using 13 MeV incident deuterons. The reaction product particles were detected by counter telescope. Typical spectra from the reactions were analyzed by a nonlinear least squares peak fitting program which included a background search. Spin and parity assignments to observed excited levels were made by comparing experimental angular distributions with distorted wave Born approximation calculations.

  1. Enhanced arsenic removal from water by hierarchically porous CeO₂-ZrO₂ nanospheres: role of surface- and structure-dependent properties.

    PubMed

    Xu, Weihong; Wang, Jing; Wang, Lei; Sheng, Guoping; Liu, Jinhuai; Yu, Hanqing; Huang, Xing-Jiu

    2013-09-15

    Arsenic contaminated natural water is commonly used as drinking water source in some districts of Asia. To meet the increasingly strict drinking water standards, exploration of efficient arsenic removal methods is highly desired. In this study, hierarchically porous CeO₂-ZrO₂ nanospheres were synthesized, and their suitability as arsenic sorbents was examined. The CeO₂-ZrO₂ hollow nanospheres showed an adsorption capacity of 27.1 and 9.2 mg g(-1) for As(V) and As(III), respectively, at an equilibrium arsenic concentration of 0.01 mg L(-1) (the standard for drinking water) under neutral conditions, indicating a high arsenic removal performance of the adsorbent at low arsenic concentrations. Such a great arsenic adsorption capacity was attributed to the high surface hydroxyl density and presence of hierarchically porous network in the hollow nanospheres. The analysis of Fourier transformed infrared spectra and X-ray photoelectron spectroscopy demonstrated that the adsorption of arsenic on the CeO₂-ZrO₂ nanospheres was completed through the formation of a surface complex by substituting hydroxyl with arsenic species. In addition, the CeO₂-ZrO₂ nanospheres were able to remove over 97% arsenic in real underground water with initial arsenic concentration of 0.376 mg L(-1) to meet the guideline limit of arsenic in drinking water regulated by the World Health Organization without any pre-treatment and/or pH adjustment. Copyright © 2013 Elsevier B.V. All rights reserved.

  2. Isotopic composition of a sample enriched in 93Zr

    DOE PAGES

    Fujii, Toshiyuki; Hori, Jun-ichi; Du, Miting; ...

    2015-10-22

    A project to determine the neutron-capture cross section of long lived fission products and minor actinides has been started by using a beam-line at Japan Proton Accelerator Research Complex (J-PARC). We prepared one of the target nuclides is Zr-93, which in Oak Ridge National Laboratory. Qualitative and quantitative analyses on the sample were performed at Kyoto University. The isotopic composition of (m) Zr (m 90, 91, 92, 93, 94, and 96) was precisely determined by multi-collector thermal ionization mass spectrometry with < 0.1 % of 2 sigma uncertainty. We determined that the atomic abundance of Zr-93 in the sample tomore » be 18.86 ± A 0.05 %.« less

  3. Corrosion behavior in high-temperature pressurized water of Zircaloy-4 joints brazed with Zr-Cu-based amorphous filler alloys

    NASA Astrophysics Data System (ADS)

    Lee, Jung Gu; Lee, Gyoung-Ja; Park, Jin-Ju; Lee, Min-Ku

    2017-05-01

    The compositional effects of ternary Zr-Cu-X (X: Al, Fe) amorphous filler alloys on galvanic corrosion susceptibility in high-temperature pressurized water were investigated for Zircaloy-4 brazed joints. Through an Al-induced microgalvanic reaction that deteriorated the overall nobility of the joint, application of the Zr-Cu-Al filler alloy caused galvanic coupling to develop readily between the Al-bearing joint and the Al-free base metal, finally leading to massive localized corrosion of the joint. Contrastingly, joints prepared with a Zr-Cu-Fe filler alloy showed excellent corrosion resistance comparable to that of the Zircaloy-4 base metal, since the Cu and Fe elements forming fine intermetallic particles with Zr did not influence the electrochemical stability of the resultant joints. The present results demonstrate that Fe is a more suitable alloying element than Al for brazing filler alloys subjected to high-temperature corrosive environments.

  4. Capture of Hydrogen Using ZrNi

    NASA Technical Reports Server (NTRS)

    Patton, Lisa; Wales, Joshua; Lynch, David; Parrish, Clyde

    2005-01-01

    Water, as ice, is thought to reside in craters at the lunar poles along with CH4 and H2 . A proposed robotic mission for 2012 will utilize metal/metal hydrides for H2 recovery. Specifications are 99% capture of H2 initially at 5 bar and 100C (or greater), and degassing completely at 300C. Of 47-systems examined using the van't Hoff equation, 4 systems, Mg/MgH2, Mg2Ni/Mg2NiH4, ZrNi/ZrNiH2.8, and Pd/PdH0.77, were considered likely candidates for further examination. It is essential, when selecting a system, to also examine questions regarding activation, kinetics, cyclic stability, and gas impurity effects. After considering those issues, ZrN1 was selected as the most promising candidate, as it is easily activated and rapidly forms ZrNiH 2.8 . In addition, it resists oxide poisoning by CO2, and H2O, while some oxidation by O2 is recommended for improved activation . The presence of hydrogen in the as received Zr-Ni alloy from Alfa Aesar posed additional technical problems. X-ray diffraction of the Zr-Ni powder (-325 mesh), with a Zr:Ni wt% ratio of 70:30, was found to consist of ZrH2, ZrNiH2.8, and ZrNi. ZrH2 in the alloy presented the risk that after degassing that both Zr and ZrNi would be present, and thus lead to erroneous results regarding the reactivity of ZrNi with H2 . Fortunately, ZrH2 is a highly stable hydride that does not degas H2 to any significant extent at temperatures below 300C. Based on equilibrium calculations for the decomposition of ZrH2, only 1 millionth of the hydride decomposed at 300C under a N2 atmosphere flowing at 25 ccm for 64 hours, the longest time for pretreatment employed in the investigation. It was possible, from the X-ray results and knowledge of the Zr:Ni ratio, to compute the composition of a pretreated specimen as being 76 wt% ZrNi and the balance ZrH2.

  5. Critical size of crystalline ZrO(2) nanoparticles synthesized in near- and supercritical water and supercritical isopropyl alcohol.

    PubMed

    Becker, Jacob; Hald, Peter; Bremholm, Martin; Pedersen, Jan S; Chevallier, Jacques; Iversen, Steen B; Iversen, Bo B

    2008-05-01

    Nanocrystalline ZrO(2) samples with narrow size distributions and mean particle sizes below 10 nm have been synthesized in a continuous flow reactor in near and supercritical water as well as supercritical isopropyl alcohol using a wide range of temperatures, pressures, concentrations and precursors. The samples were comprehensively characterized by powder X-ray diffraction (PXRD), transmission electron microscopy (TEM), and small-angle X-ray scattering (SAXS), and the influence of the synthesis parameters on the particle size, particle size distribution, shape, aggregation and crystallinity was studied. On the basis of the choice of synthesis parameters either monoclinic or tetragonal zirconia phases can be obtained. The results suggest a critical particle size of 5-6 nm for nanocrystalline monoclinic ZrO(2) under the present conditions, which is smaller than estimates reported in the literature. Thus, very small monoclinic ZrO(2) particles can be obtained using a continuous flow reactor. This is an important result with respect to improvement of the catalytic properties of nanocrystalline ZrO(2).

  6. Investigation of ZrO x /ZrC-ZrN/Zr thin-film structural evolution and their degradation using X-ray diffraction and Raman spectrometry

    NASA Astrophysics Data System (ADS)

    Usmani, B.; Vijay, V.; Chhibber, R.; Dixit, A.

    2016-11-01

    The thin-film structures of DC/FR magnetron-sputtered ZrO x /ZrC-ZrN/Zr tandem solar-selective coatings are investigated using X-ray diffraction and room-temperature Raman spectroscopic measurements. These studies suggest that the major contribution is coming from h-ZrN0.28, c-ZrC, h-Zr3C2 crystallographic phases in ZrN-ZrC absorber layer, in conjunction with mixed ZrO x crystallographic phases. The change in structure for thermally annealed samples has been examined and observed that cubic and hexagonal ZrO x phase converted partially into tetragonal and monoclinic ZrO x phases, whereas hexagonal and cubic ZrN phases, from absorber layer, have not been observed for these thermally treated samples in air. These studies suggest that thermal treatment may lead to the loss of ZrN phase in absorber, degrading the thermal response for the desired wavelength range in open ambient conditions in contrast to vacuum conditions.

  7. Zr/ZrC modified layer formed on AISI 440B stainless steel by plasma Zr-alloying

    NASA Astrophysics Data System (ADS)

    Shen, H. H.; Liu, L.; Liu, X. Z.; Guo, Q.; Meng, T. X.; Wang, Z. X.; Yang, H. J.; Liu, X. P.

    2016-12-01

    The surface Zr/ZrC gradient alloying layer was prepared by double glow plasma surface alloying technique to increase the surface hardness and wear resistance of AISI 440B stainless steel. The microstructure of the Zr/ZrC alloying layer formed at different alloying temperatures and times as well as its formation mechanism were discussed by using scanning electron microscopy, glow discharge optical emission spectrum, X-ray diffraction and X-ray photoelectron spectroscopy. The adhesive strength, hardness and tribological property of the Zr/ZrC alloying layer were also evaluated in the paper. The alloying surface consists of the Zr-top layer and ZrC-subsurface layer which adheres strongly to the AISI 440B steel substrate. The thickness of the Zr/ZrC alloying layer increases gradually from 16 μm to 23 μm with alloying temperature elevated from 900 °C to 1000 °C. With alloying time from 0.5 h to 4 h, the alloyed depth increases from 3 μm to 30 μm, and the ZrC-rich alloyed thickness vs time is basically parabola at temperature of 1000 °C. Both the hardness and wear resistance of the Zr/ZrC alloying layer obviously increase compared with untreated AISI 440B steel.

  8. A Synergistic Effect of Surfactant and ZrO2 Underlayer on Photocurrent Enhancement and Cathodic Shift of Nanoporous Fe2O3 Photoanode

    PubMed Central

    Shinde, Pravin S.; Lee, Su Yong; Choi, Sun Hee; Lee, Hyun Hwi; Ryu, Jungho; Jang, Jum Suk

    2016-01-01

    Augmenting the donor density and nanostructure engineering are the crucial points to improve solar water oxidation performance of hematite (α-Fe2O3). This work addresses the sluggish water oxidation reaction associated with hematite photoanode by tweaking its internal porosity. The porous hematite photoanodes are fabricated by a novel synthetic strategy via pulse reverse electrodeposition (PRED) method that involves incorporation of a cationic CTAB surfactant in a sulfate electrolyte and spin-coated ZrO2 underlayer (UL) on FTO. CTAB is found to be beneficial in promoting the film growth rate during PRED. Incorporation of Zr4+ ions from ZrO2 UL and Sn4+ ions from FTO into the Fe2O3 lattice via solid-state diffusion reaction during pertinent annihilation of surfactant molecules at 800 °C produced internally porous hematite films with improved carrier concentration. The porous hematite demonstrated a sustained photocurrent enhancement and a significant cathodic shift of 130 mV relative to the planar hematite under standard illumination conditions (AM 1.5G) in 1 M NaOH electrolyte. The absorption, electrochemical impedance spectroscopy and Mott-Schottky analyses revealed that the ZrO2 UL and CTAB not only increased the carrier density and light harvesting but also accelerated the surface oxidation reaction kinetics, synergistically boosting the performance of internally porous hematite photoanodes. PMID:27577967

  9. A Synergistic Effect of Surfactant and ZrO2 Underlayer on Photocurrent Enhancement and Cathodic Shift of Nanoporous Fe2O3 Photoanode.

    PubMed

    Shinde, Pravin S; Lee, Su Yong; Choi, Sun Hee; Lee, Hyun Hwi; Ryu, Jungho; Jang, Jum Suk

    2016-08-31

    Augmenting the donor density and nanostructure engineering are the crucial points to improve solar water oxidation performance of hematite (α-Fe2O3). This work addresses the sluggish water oxidation reaction associated with hematite photoanode by tweaking its internal porosity. The porous hematite photoanodes are fabricated by a novel synthetic strategy via pulse reverse electrodeposition (PRED) method that involves incorporation of a cationic CTAB surfactant in a sulfate electrolyte and spin-coated ZrO2 underlayer (UL) on FTO. CTAB is found to be beneficial in promoting the film growth rate during PRED. Incorporation of Zr(4+) ions from ZrO2 UL and Sn(4+) ions from FTO into the Fe2O3 lattice via solid-state diffusion reaction during pertinent annihilation of surfactant molecules at 800 °C produced internally porous hematite films with improved carrier concentration. The porous hematite demonstrated a sustained photocurrent enhancement and a significant cathodic shift of 130 mV relative to the planar hematite under standard illumination conditions (AM 1.5G) in 1 M NaOH electrolyte. The absorption, electrochemical impedance spectroscopy and Mott-Schottky analyses revealed that the ZrO2 UL and CTAB not only increased the carrier density and light harvesting but also accelerated the surface oxidation reaction kinetics, synergistically boosting the performance of internally porous hematite photoanodes.

  10. A Synergistic Effect of Surfactant and ZrO2 Underlayer on Photocurrent Enhancement and Cathodic Shift of Nanoporous Fe2O3 Photoanode

    NASA Astrophysics Data System (ADS)

    Shinde, Pravin S.; Lee, Su Yong; Choi, Sun Hee; Lee, Hyun Hwi; Ryu, Jungho; Jang, Jum Suk

    2016-08-01

    Augmenting the donor density and nanostructure engineering are the crucial points to improve solar water oxidation performance of hematite (α-Fe2O3). This work addresses the sluggish water oxidation reaction associated with hematite photoanode by tweaking its internal porosity. The porous hematite photoanodes are fabricated by a novel synthetic strategy via pulse reverse electrodeposition (PRED) method that involves incorporation of a cationic CTAB surfactant in a sulfate electrolyte and spin-coated ZrO2 underlayer (UL) on FTO. CTAB is found to be beneficial in promoting the film growth rate during PRED. Incorporation of Zr4+ ions from ZrO2 UL and Sn4+ ions from FTO into the Fe2O3 lattice via solid-state diffusion reaction during pertinent annihilation of surfactant molecules at 800 °C produced internally porous hematite films with improved carrier concentration. The porous hematite demonstrated a sustained photocurrent enhancement and a significant cathodic shift of 130 mV relative to the planar hematite under standard illumination conditions (AM 1.5G) in 1 M NaOH electrolyte. The absorption, electrochemical impedance spectroscopy and Mott-Schottky analyses revealed that the ZrO2 UL and CTAB not only increased the carrier density and light harvesting but also accelerated the surface oxidation reaction kinetics, synergistically boosting the performance of internally porous hematite photoanodes.

  11. Fabrication of 94Zr thin target for recoil distance doppler shift method of lifetime measurement

    NASA Astrophysics Data System (ADS)

    Gupta, C. K.; Rohilla, Aman; Abhilash, S. R.; Kabiraj, D.; Singh, R. P.; Mehta, D.; Chamoli, S. K.

    2014-11-01

    A thin isotopic 94Zr target of thickness 520 μg /cm2 has been prepared for recoil distance Doppler shift method (RDM) lifetime measurement by using an electron beam deposition method on tantalum backing of 3.5 mg/cm2 thickness at Inter University Accelerator Center (IUAC), New Delhi. To meet the special requirement of smoothness of surface for RDM lifetime measurement and also to protect the outer layer of 94Zr from peeling off, a very thin layer of gold has been evaporated on a 94Zr target on a specially designed substrate holder. In all, 143 mg of 99.6% enriched 94Zr target material was utilized for the fabrication of 94Zr targets. The target has been successfully used in a recent RDM lifetime measurement experiment at IUAC.

  12. Phase transition, crystal water and low thermal expansion behavior of Al{sub 2−2x}(ZrMg){sub x}W{sub 3}O{sub 12}·n(H{sub 2}O)

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Li, Fang; Liu, Xiansheng; Song, Wenbo

    2014-10-15

    Al{sub 2−2x}(ZrMg){sub x}W{sub 3}O{sub 12} for 0≤x≤1.0 are synthesized to reduce the phase transition temperature of Al{sub 2}W{sub 3}O{sub 12}. It is found that the incorporation of (ZrMg){sup 6+} into the lattice of Al{sub 2}W{sub 3}O{sub 12} not only reduces its orthorhombic-to-monoclinic phase transition temperature but also elevates its softening temperature, broadening its applicable temperature range considerably. Al{sub 2−2x}(ZrMg){sub x}W{sub 3}O{sub 12} with x<0.5 exhibit low coefficients of thermal expansion (CTEs) and non-hygroscopicity, while those for x≥0.7 are obviously hygroscopic and the CETs decrease with increasing the content of (ZrMg){sup 6+} so that Al{sub 0.2}(ZrMg){sub 0.9}W{sub 3}O{sub 12} and ZrMgW{submore » 3}O{sub 12} exhibit negative thermal expansion. Temperature-dependent Raman spectroscopic study shows the hardening of W–O bonds above 373 K which is attributed to the release of crystal water. The effect of crystal water on the thermal expansion property is discussed based on the hydrogen bond between H in crystal water and electronegative O in Al(ZrMg)–O–W linkages. - Graphical abstract: (a and b) Temperature dependent Raman spectra of Al{sub 2−x}(ZrMg){sub x}W{sub 3}O{sub 12} (x=0.1, 0.2), (c and d) Building block of a unit cell of Al{sub 2−x}(ZrMg){sub x}W{sub 3}O{sub 12}·n(H{sub 2}O) and schematic showing the effect of crystal water on Al(Zr, Mg)–O–W linkages. - Highlights: • (ZrMg){sup 6+} reduces orthorhombic-to-monoclinic phase transition of Al{sub 2}W{sub 3}O{sub 12}. • The incorporation of (ZrMg){sup 6+} elevates the softening temperature of Al{sub 2}W{sub 3}O{sub 12}. • Al{sub 2−2x}(ZrMg){sub x}W{sub 3}O{sub 12} (x<0.5) exhibit low CTEs and non-hygroscopicity. • Al{sub 0.2}(ZrMg){sub 0.9}W{sub 3}O{sub 12}·0.8H{sub 2}O and ZrMgW{sub 3}O{sub 12}·2H{sub 2}O present NTE. • Hydrogen bond between H in H{sub 2}O and O in Al(ZrMg)–O–W affects thermal expansion.« less

  13. Method Using Water-Based Solvent to Prepare Li7La3Zr2O12 Solid Electrolytes.

    PubMed

    Huang, Xiao; Lu, Yang; Jin, Jun; Gu, Sui; Xiu, Tongping; Song, Zhen; Badding, Michael E; Wen, Zhaoyin

    2018-05-09

    Li-garnet Li 7 La 3 Zr 2 O 12 (LLZO) is a promising candidate of solid electrolytes for high-safety solid-state Li + ion batteries. However, because of its high reactivity to water, the preparation of LLZO powders and ceramics is not easy for large-scale amounts. Herein, a method applying water-based solvent is proposed to demonstrate a possible solution. Ta-doped LLZO, that is, Li 6.4 La 3 Zr 1.4 Ta 0.6 O 12 (LLZTO), and its LLZTO/MgO composite ceramics are made by attrition milling, followed by a spray-drying process using water-based slurries. The impacts of parameters of the method on the structure and properties of green and sintered pellets are studied. A relative density of ∼95%, a Li-ion conductivity of ∼3.5 × 10 -4 S/cm, and uniform grain size LLZTO/MgO garnet composite ceramics are obtained with an attrition-milled LLZTO/MgO slurry that contains 40 wt % solids and 2 wt % polyvinyl alcohol binder. Li-sulfur batteries based on these ceramics are fabricated and work under 25 °C for 20 cycles with a Coulombic efficiency of 100%. This research demonstrates a promising mass production method for the preparation of Li-garnet ceramics.

  14. Electrochemical Corrosion and In Vitro Bioactivity of SiO2:ZrO2-Coated 316L Stainless Steel in Simulated Body Fluid

    NASA Astrophysics Data System (ADS)

    Srinivasan, A.; Rajendran, N.

    2015-08-01

    The effect of Si:Zr ratio on the in vitro bioactivity and electrochemical corrosion behavior of SiO2:ZrO2-mixed oxide-coated 316L stainless steel (SS) was evaluated in simulated body fluid (SBF) solution for 72, 120, and 168 h. Growth of Hydroxyapatite (HAp) was accelerated when Si content in the coating was increased. The Zr content in the coating improved the corrosion resistance of 316L SS rather than accelerating the HAp growth. When the Si:Zr ratio was 50:50, the coating exhibited significant improvement in corrosion resistance as well as HAp growth. The mechanism of HAp growth was proposed based on the change in surface zeta potential values of the coatings. Potentiodynamic polarization studies revealed about 10 and 5 times reduction in corrosion current density ( i corr) values for SiO2:ZrO2 (50:50)-coated 316L SS after 168 h of immersion compared to SiO2, ZrO2, and Si:Zr (70:30) coatings in SBF solutions thus confirming the superior corrosion resistance. The equivalent circuit parameters derived from electrochemical impedance spectroscopy studies further confirmed significant improvement in charge transfer resistance value even after 168 h of exposure.

  15. Signal of Acceleration and Physical Mechanism of Water Cycle in Xinjiang, China

    PubMed Central

    Feng, Guo-Lin; Wu, Yong-Ping

    2016-01-01

    Global warming accelerates water cycle with features of regional difference. However, little is known about the physical mechanism behind the phenomenon. To reveal the links between water cycle and climatic environment, we analyzed the changes of water cycle elements and their relationships with climatic and environmental factors. We found that when global warming was significant during the period of 1986-2003, the precipitation in Tarim mountains as well as Xinjiang increased rapidly except for Tarim plains, which indicated that there existed a signal of acceleration for water cycle in Xinjiang. The speed of water cycle is mainly affected by altitude, latitude, longitude, slope direction, and the most fundamental element is temperature. Moreover, according to Clausius-Kela Bai Lung relation, we found that the climate change induced the increase of temperature and accelerated the local water cycle only for the wet places. Our results provide a possible physical mechanisms of water cycle and thus well link the climate change to water circulation. PMID:27907078

  16. Signal of Acceleration and Physical Mechanism of Water Cycle in Xinjiang, China.

    PubMed

    Feng, Guo-Lin; Wu, Yong-Ping

    2016-01-01

    Global warming accelerates water cycle with features of regional difference. However, little is known about the physical mechanism behind the phenomenon. To reveal the links between water cycle and climatic environment, we analyzed the changes of water cycle elements and their relationships with climatic and environmental factors. We found that when global warming was significant during the period of 1986-2003, the precipitation in Tarim mountains as well as Xinjiang increased rapidly except for Tarim plains, which indicated that there existed a signal of acceleration for water cycle in Xinjiang. The speed of water cycle is mainly affected by altitude, latitude, longitude, slope direction, and the most fundamental element is temperature. Moreover, according to Clausius-Kela Bai Lung relation, we found that the climate change induced the increase of temperature and accelerated the local water cycle only for the wet places. Our results provide a possible physical mechanisms of water cycle and thus well link the climate change to water circulation.

  17. Effects of incorporation of HA/ZrO(2) into glass ionomer cement (GIC).

    PubMed

    Gu, Y W; Yap, A U J; Cheang, P; Khor, K A

    2005-03-01

    Glass ionomer cements (GICs) are a class of bioactive cements that bond directly to bone. In this paper, a new bioactive hydroxyapatite (HA)/zirconia (ZrO(2))-filled GIC composite was developed to improve the biocompatibility and bioactivity of the GICs with the surrounding bone and connective tissues. Nano-sized HA/30 wt% ZrO(2) powders were heat treated at 700 degrees Celsius and 800 degrees Celsius for 3 h to elucidate the influence of the crystallinity of composite powders on the performance of HA/ZrO(2)-GICs. The effects of different volume percentages of HA/ZrO(2) powders (4, 12, 28 and 40 vol%) substituted within GICs were investigated based on their microhardness, compressive strength and diametral tensile strength. The HA/ZrO(2)-GICs composite was soaked in distilled water for 1 day and 1 week before subjecting the samples to mechanical testing. Results showed that the glass and HA/ZrO(2) particles were distributed uniformly in the GIC matrix. The substitution of highly crystalline HA/ZrO(2) improved the mechanical properties of the HA/ZrO(2)-GICs due to the slow resorption rate for highly crystalline powders in distilled water. The mechanical properties of HA/ZrO(2)-GICs increased with increasing soak time due to the continuous formation of aluminium salt bridges, which improved the final strength of the cements. The compositions 4 and 12 vol% HA/ZrO(2)-GICs exhibited superior mechanical properties than the original GICs. The mechanical properties of HA/ZrO(2)-GICs were found to be much better than those of HA-GICs because ZrO(2) has the attributes of high strength, high modulus, and is significantly harder than glass and HA particles. Furthermore, ZrO(2) does not dissolve with increasing soaking time.

  18. Physical properties of ZrC/Al2O3 imbedded heat storage woven fabrics

    NASA Astrophysics Data System (ADS)

    Kim, S. J.; Song, M. K.; Seo, K. O.; Kim, H. A.

    2017-10-01

    This study investigated different physical properties of ZrC/Al2O3 imbedded heat storage woven fabrics. ZrC and Al2O3 imbedded heat storage PET filaments were spun on the pilot spinning equipment, respectively. Various physical properties of ceramic imbedded fabrics made of ZrC and Al2O3 imbedded filaments were measured and compared with those of the regular PET woven fabric. The surface temperatures of the ZrC and Al2O3 imbedded fabrics were higher than that of the regular fabric. Water absorption rate of ceramic imbedded fabrics was better than that of the regular fabric and drying property was inferior to that of regular fabric. Breathability by water vapour resistance(Ref) of ZrC imbedded fabric was superior to that of regular fabric. Heat keepability rates of the ceramic imbedded fabrics were higher than that of the regular fabrics, which revealed a good heat storage property of the ZrC/Al2O3 imbedded fabrics.

  19. New results in low-energy fusion of 40Ca+Zr,9290

    NASA Astrophysics Data System (ADS)

    Stefanini, A. M.; Montagnoli, G.; Esbensen, H.; Čolović, P.; Corradi, L.; Fioretto, E.; Galtarossa, F.; Goasduff, A.; Grebosz, J.; Haas, F.; Mazzocco, M.; Soić, N.; Strano, E.; Szilner, S.

    2017-07-01

    Background: Near- and sub-barrier fusion of various Ca + Zr isotopic combinations have been widely investigated. A recent analysis of 40Ca+96Zr data has highlighted the importance of couplings to multiphonon excitations and to both neutron and proton transfer channels. Analogous studies of 40Ca+90Zr tend to exclude any role of transfer couplings. However, the lowest measured cross section for this system is rather high (840 μ b ). A rather complete data set is available for 40Ca+94Zr , while no measurement of 40Ca+92Zr fusion has been performed in the past. Purpose: Our aim is to measure the full excitation function of 40Ca+92Zr near the barrier and to extend downward the existing data on 40Ca+90Zr , in order to estimate the transfer couplings that should be used in coupled-channels calculations of the fusion of these two systems and of 40Ca+94Zr . Methods: 40Ca beams from the XTU Tandem accelerator of INFN-Laboratori Nazionali di Legnaro were used, bombarding thin metallic 90Zr (50 μ g /cm2 ) and 92ZrO2 targets (same thickness) enriched to 99.36 % and 98.06 % in masses 90 and 92, respectively. An electrostatic beam deflector allowed the detection of fusion evaporation residues (ER) at very forward angles, and angular distributions of ER were measured. Results: The excitation function of 40Ca+92Zr has been measured down to the level of ≃60 μ b . Coupled-channels (CC) calculations using a standard Woods-Saxon (WS) potential and following the line of a previous analysis of 40Ca+96Zr fusion data give a good account of the new data, as well as of the existing data for 40Ca+94Zr . The previous excitation function of 40Ca+90Zr has been extended down to 40 μ b . Conclusions: Transfer couplings play an important role in explaining the fusion data for 40Ca+92Zr and 40Ca+94Zr . The strength of the pair-transfer coupling is deduced by applying a simple recipe based on the value obtained for 40Ca+96Zr . The logarithmic slopes and the S factors for fusion are reproduced

  20. Solution treatment-delayed zirconium-strengthening behavior in Ti-7.5Mo-xZr alloy system

    NASA Astrophysics Data System (ADS)

    Chern Lin, Jiin-Huey; Fu, Yen-Han; Chen, Yen-Chun; Peng, Yu-Po; Ju, Chien-Ping

    2018-01-01

    The present study was devoted to investigate and compare the Zr-strengthening behavior in as-cast (AC) and solution-treated (ST) Ti-7.5Mo-xZr alloys. The experimental results indicated that AC Ti-7.5Mo and AC Ti-7.5Mo-1Zr alloys substantially had an orthorhombic {α }\\prime\\prime phase with a fine, acicular morphology. The content of equi-axed β phase continued to increase with increased Zr content at the expense of {α }\\prime\\prime phase. The threshold Zr content for the formation of β phase in the ST Ti-7.5Mo-xZr alloys was apparently higher than that in the AC Ti-7.5Mo-xZr alloys. The β granular structure was revealed in ST Ti-7.5Mo-5Zr alloy, which increased with increased Zr content. Unlike AC Ti-7.5Mo-9Zr alloy, within each grain of ST Ti-7.5Mo-9Zr alloy were still observed a significant portion of {α }\\prime\\prime morphology. AC Ti-7.5Mo alloy had the lowest YS, lowest tensile modulus and highest elongation among all AC Ti-7.5Mo-xZr alloys. When Zr content increased, both YS and modulus significantly increased while the elongation significantly decreased. Compared to AC Ti-7.5Mo alloy, AC Ti-7.5Mo-9Zr alloy had almost double YS, indicating the effectiveness of Zr-induced strengthening in the AC Ti-7.5Mo-xZr alloys. Compared to AC Ti-7.5Mo, ST Ti-7.5Mo alloys had lower YS, UTS and tensile modulus with almost the same elongation. All the XRD, metallography and tensile test results consistently indicated that the presence of Zr could accelerate the formation of β phase and effectively strengthen the AC Ti-7.5Mo-xZr alloys. A phenomenon of delayed β formation and delayed strengthening was noted in the ST Ti-7.5Mo-xZr alloys, compared to the AC Ti-7.5Mo-xZr alloys.

  1. Accelerator Production of Isotopes for Medical Use

    NASA Astrophysics Data System (ADS)

    Lapi, Suzanne

    2014-03-01

    The increase in use of radioisotopes for medical imaging and therapy has led to the development of novel routes of isotope production. For example, the production and purification of longer-lived position emitting radiometals has been explored to allow for nuclear imaging agents based on peptides, antibodies and nanoparticles. These isotopes (64Cu, 89Zr, 86Y) are typically produced via irradiation of solid targets on smaller medical cyclotrons at dedicated facilities. Recently, isotope harvesting from heavy ion accelerator facilities has also been suggested. The Facility for Rare Isotope Beams (FRIB) will be a new national user facility for nuclear science to be completed in 2020. Radioisotopes could be produced by dedicated runs by primary users or may be collected synergistically from the water in cooling-loops for the primary beam dump that cycle the water at flow rates in excess of hundreds of gallons per minute. A liquid water target system for harvesting radioisotopes at the National Superconducting Cyclotron Laboratory (NSCL) was designed and constructed as the initial step in proof-of-principle experiments to harvest useful radioisotopes in this manner. This talk will provide an overview of isotope production using both dedicated machines and harvesting from larger accelerators typically used for nuclear physics. Funding from Department of Energy under DESC0007352 and DESC0006862.

  2. Interfacial Energy Transfer during Gamma Radiolysis of Water on the Surface of ZrO2 and Some Other Oxides

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Petrik, Nikolay G.; Alexandrov, Alexandr B.; Vall, Andrey I.

    Effect of oxide interface on 60Co gamma radiolysis of water molecules was studied. Based on the molecular hydrogen yield when compared with that from the radiolysis of pure gas-phase water, all tested oxides can be classified into three groups: (i) inhibitors - MnO2, Co3O4, CuO and Fe2O3; (ii) oxides with H2 yields, which are similar to or slightly greater than radiolysis of pure gas-phase water - MgO, CaO, SrO, BaO, ZnO, CdO, Cu2O, NiO, Cr2O3, Al2O3, CeO2, SiO2, TiO2, Nb2O5 and WO3; (iii) promoters - Ga2O3, Y2O3, La2O3, Nd2O3, Sm2O3, Eu2O3, Gd2O3, Yb2O3, Er2O3, HfO2, and ZrO2. H2O radiolysis enhancementmore » for ZrO2 and other promoters is result of effective energy transfer at the oxide/water interface, presumably due to migration of excitons to the surface and their resonant coupling with the H2O adsorption complex. Plot''effective H2 yield vs. band-gap (Eg) energy'' shows a maximum near 5 eV.« less

  3. The Experimental Study of Nuclear Astrophysics Reaction Rate of 93Zr(n,γ)94Zr

    NASA Astrophysics Data System (ADS)

    Gan, L.; Li, Z. H.; Su, J.; Yan, S. Q.; Guo, B.; Du, X. C.; Wu, Z. D.; Zeng, S.; Jin, S. J.; Wang, Y. B.; Bai, X. X.; Zhang, W. J.; Sun, H. B.; Li, E. T.

    The slow neutron capture (s-) process plays a very important role in the nucleosynthesis, which produces about half of the elements heavier than iron. 94Zr is mainly from 93Zr(n,γ)94Zr in the s-process, and the direct component of the 93Zr(n,γ)94Zr capture reaction can be derived from the neutron spectroscopic factor of 94Zr. As the existing neutron spectroscopic factors of 94Zr vary from each other up to 60%, a new work should be adopted to measure it exactly. In the present work, the angular distributions of 94Zr(13C,13C)94Zr, 94Zr(12C,12C)94Zr and 94Zr(12C,13C)93Zr were obtained using the highprecision Q3D magnetic spectrograph. In addition, distorted-wave Born approximation (DWBA) calculations of the transfer differential cross sections were performed. The calculated result displays a good agreement with the experiment data, and a value of 2.60±0.20 for the neutron spectroscopic factor of 94Zr was extracted, and the direct capture cross section versus neutron energy of 93Zr(n,γ)94Zr for the ground state of 94Zr was obtained too.

  4. The influence of Sc addition on the welding microstructure of Zr-based bulk metallic glass: The stability of the amorphous phase

    NASA Astrophysics Data System (ADS)

    Wang, Shing Hoa; Kuo, Pei Hung; Tsang, Hsiao Tsung; Jeng, Rong Ruey; Lin, Yu Lon

    2007-10-01

    Pulsed direct current autogeneous tungsten inert gas arc welding was conducted on rods of bulk metallic glasses (BMGs) Zr55Cu30Ni5Al10 and (Zr55Cu30Ni5Al10)99.98Sc0.02 under two different cooling conditions. The crystalline precipitates in the fusion zone of BMG Zr55Cu30Ni5Al10 were confirmed by microfocused x-ray diffraction pattern analysis as Zr2Ni and Zr2(Cu,Al) intermetallic compounds. In contrast, BMG with Sc addition (Zr55Cu30Ni5Al10)99.98Sc0.02 shows an excellent stable glass forming ability. The fusion zone of BMG (Zr55Cu30Ni5Al10)99.98Sc0.02 remains in the same amorphous state as that of the amorphous base metal when the weld is cooled with accelerated cooling.

  5. Effect of different Zr contents on properties and microstructure of Cu-Cr-Zr alloys

    NASA Astrophysics Data System (ADS)

    Jinshui, Chen; Bin, Yang; Junfeng, Wang; Xiangpeng, Xiao; Huiming, Chen; Hang, Wang

    2018-02-01

    The crystallography and morphology of precipitate particles of Cu-Cr-Zr alloys with varying Zr contents were studied by transmission electron microscopy (TEM) after solution treatments at 950 °C for 1 h and aging treatments at 500 °C for different times ranged from 0.5 h to 24 h. The microhardness and electrical conductivity of Cu-Cr-Zr alloys after various aging process were tested. The results show that the microhardness and electrical conductivity rapidly increased at first, then the microhardness decreased slowly after reaching the peak, while the conductivity continues to increase. Nano-scaled precipitates exhibit two kinds of morphology (coffee bean and ellipse shaped). With increasing Zr content, the Zr-containing precipitation sequence of Cu-Cr-Zr alloys at peak-ageing is Heusler CrCu2Zr → Cu5Zr → Cu4Zr. The Heusler CrCu2Zr phase decomposed into fine and homogeneous Cr and Cu4Zr, resulting in improved alloy properties.

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

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Plesch, G., E-mail: plesch@fns.uniba.sk; Vargová, M.; Vogt, U.F.

    2012-07-15

    Highlights: ► Thick photocatalytic anatase films on macroporous reticulated ceramic foams. ► Alumina and alumina–mullite 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 alumina–mullite 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 amore » thickness of ∼2–20 μm. 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 μm 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.« less

  7. Fine Structure in Multi-Phase Zr8Ni21-Zr7Ni10-Zr2Ni7 Alloy Revealed by Transmission Electron Microscope

    PubMed Central

    Shen, Haoting; Bendersky, Leonid A.; Young, Kwo; Nei, Jean

    2015-01-01

    The microstructure of an annealed alloy with a Zr8Ni21 composition was studied by both scanning electron microscopy (SEM) and transmission electron microscopy (TEM). The presence of three phases, Zr8Ni21, Zr2Ni7, and Zr7Ni10, was confirmed by SEM/X-ray energy dispersive spectroscopy compositional mapping and TEM electron diffraction. Distribution of the phases and their morphology can be linked to a multi-phase structure formed by a sequence of reactions: (1) L → Zr2Ni7 + L’; (2) peritectic Zr2Ni7 + L’ → Zr2Ni7 + Zr8Ni21 + L”; (3) eutectic L” → Zr8Ni21 + Zr7Ni10. The effect of annealing at 960 °C, which was intended to convert a cast structure into a single-phase Zr8Ni21 structure, was only moderate and the resulting alloy was still multi-phased. TEM and crystallographic analysis of the Zr2Ni7 phase show a high density of planar (001) defects that were explained as low-energy boundaries between rotational variants and stacking faults. The crystallographic features arise from the pseudo-hexagonal structure of Zr2Ni7. This highly defective Zr2Ni7 phase was identified as the source of the broad X-ray diffraction peaks at around 38.4° and 44.6° when a Cu-K was used as the radiation source. PMID:28793460

  8. Microbial BOD sensors based on Zr (IV)-loaded collagen fiber.

    PubMed

    Zhao, Lei; He, Li; Chen, Shujuan; Zou, Likou; Zhou, Kang; Ao, Xiaolin; Liu, Shuliang; Hu, Xinjie; Han, Guoquan

    2017-03-01

    Biochemical oxygen demand (BOD) sensors based on Zr (IV)-loaded collagen fiber (ZrCF), a novel material with great porous structure, were developed. This novel material shows adsorbability by microorganisms. Saccharomyces cerevisiae and Escherichia coli were used for the construction of BOD sensors. Factors affecting BOD sensor performance were examined. The ZrCF-based BOD sensor showed different sensitivities and linear response ranges with different biofilm densities. The amount of microorganisms strongly affected the performance of the BOD sensor. Poor permeability of previously reported immobilization carriers were greatly circumvented by ZrCF. The service life of the ZrCF-based BOD sensor was more than 42 days. The immobilized microorganisms can be stored for more than 6 months under 4°C in PB solution. There was good correlation between the results of the sensor method and the standard 5-day BOD method in the determination of pure organic substrates and real water samples. Copyright © 2016 Elsevier Inc. All rights reserved.

  9. Synthesis of Zr2WP2O12/ZrO2 Composites with Adjustable Thermal Expansion.

    PubMed

    Zhang, Zhiping; Sun, Weikang; Liu, Hongfei; Xie, Guanhua; Chen, Xiaobing; Zeng, Xianghua

    2017-01-01

    Zr 2 WP 2 O 12 /ZrO 2 composites were fabricated by solid state reaction with the goal of tailoring the thermal expansion coefficient. XRD, SEM and TMA were used to investigate the composition, microstructure, and thermal expansion behavior of Zr 2 WP 2 O 12 /ZrO 2 composites with different mass ratio. Relative densities of all the resulting Zr 2 WP 2 O 12 /ZrO 2 samples were also tested by Archimedes' methods. The obtained Zr 2 WP 2 O 12 /ZrO 2 composites were comprised of orthorhombic Zr 2 WP 2 O 12 and monoclinic ZrO 2 . As the increase of the Zr 2 WP 2 O 12 , the relative densities of Zr 2 WP 2 O 12 /ZrO 2 ceramic composites increased gradually. The coefficient of thermal expansion of the Zr 2 WP 2 O 12 /ZrO 2 composites can be tailored from 4.1 × 10 -6 K -1 to -3.3 × 10 -6 K -1 by changing the content of Zr 2 WP 2 O 12 . The 2:1 Zr 2 WP 2 O 12 /ZrO 2 specimen shows close to zero thermal expansion from 25 to 700°C with an average linear thermal expansion coefficient of -0.09 × 10 -6 K -1 . These adjustable and near zero expansion ceramic composites will have great potential application in many fields.

  10. Structural and compositional evolution of Al{sub 3}(Zr,Y) precipitates in Al-Zr-Y alloy

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Gao, Haiyan, E-mail: gaohaiyan@sjtu.edu.cn

    Structural and compositional evolution of Al{sub 3}(Zr,Y) precipitates in aged Al-Zr-Y alloy was investigated through atom probe tomography (APT) and transmission electron microscope (TEM) analysis and first principles calculations. The results show that short-bar-shaped D0{sub 19}-Al{sub 3}Y with some Zr atoms dissolved in precipitated at the very beginning of decomposition and worked as heterogeneous nuclei for L1{sub 2}-Al{sub 3}Zr with spherical morphology after being aged at 400 °C for 2 h. Quasi-static coarsening happened as the aging treatment lasted from 2 h to 200 h. However, distribution of Zr and Y atoms in Al{sub 3}(Zr,Y) is nearly uniform and Al{submore » 3}(Zr,Y) do not have the typical “Al{sub 3}RE core-Al{sub 3}Zr shell” structure which observed in other RE containing Al-Zr-RE alloys with L1{sub 2}-Al{sub 3}RE as nuclei. First principles calculations revealed that binding energy between Y and Zr is strong during the growth of Al{sub 3}(Zr,Y), which led to the co-precipitation of Y and Zr atoms and attribute to the evolution of Al{sub 3}(Zr,Y). - Highlights: •Al{sub 3}Y precipitated firstly and then became nuclei for Al{sub 3}Zr during aging of Al-Zr-Y. •Al{sub 3}(Zr,Y) precipitates do not have the typical “Al{sub 3}Y core-Al{sub 3}Zr shell” structure. •Strong binding between Y and Zr led to the co-precipitation of Y and Zr atoms.« less

  11. Density functional theory calculations of the water interactions with ZrO2 nanoparticles Y2O3 doped

    NASA Astrophysics Data System (ADS)

    Subhoni, Mekhrdod; Kholmurodov, Kholmirzo; Doroshkevich, Aleksandr; Asgerov, Elmar; Yamamoto, Tomoyuki; Lyubchyk, Andrei; Almasan, Valer; Madadzada, Afag

    2018-03-01

    Development of a new electricity generation techniques is one of the most relevant tasks, especially nowadays under conditions of extreme growth in energy consumption. The exothermic heterogeneous electrochemical energy conversion to the electric energy through interaction of the ZrO2 based nanopowder system with atmospheric moisture is one of the ways of electric energy obtaining. The questions of conversion into the electric form of the energy of water molecules adsorption in 3 mol% Y2O3 doped ZrO2 nanopowder systems were investigated using the density functional theory calculations. The density functional theory calculations has been realized as in the Kohn-Sham formulation, where the exchange-correlation potential is approximated by a functional of the electronic density. The electronic density, total energy and band structure calculations are carried out using the all-electron, full potential, linear augmented plane wave method of the electronic density and related approximations, i.e. the local density, the generalized gradient and their hybrid approximations.

  12. Degradation of Zr-based bulk metallic glasses used in load-bearing implants: A tribocorrosion appraisal.

    PubMed

    Zhao, Guo-Hua; Aune, Ragnhild E; Mao, Huahai; Espallargas, Nuria

    2016-07-01

    Owing to the amorphous structure, Bulk Metallic Glasses (BMGs) have been demonstrating attractive properties for potential biomedical applications. In the present work, the degradation mechanisms of Zr-based BMGs with nominal compositions Zr55Cu30Ni5Al10 and Zr65Cu18Ni7Al10 as potential load-bearing implant material were investigated in a tribocorrosion environment. The composition-dependent micro-mechanical and tribological properties of the two BMGs were evaluated prior to the tribocorrosion tests. The sample Zr65-BMG with a higher Zr content exhibited increased plasticity but relatively reduced wear resistance during the ball-on-disc tests. Both BMGs experienced abrasive wear after the dry wear test under the load of 2N. The cross-sectional subsurface structure of the wear track was examined by Focused Ion Beam (FIB). The electrochemical properties of the BMGs in simulated body fluid were evaluated by means of potentiodynamic polarization and X-ray Photoelectron Spectroscopy (XPS). The spontaneous passivation of Zr-based BMGs in Phosphate Buffer Saline solution was mainly attributed to the highly concentrated zirconium cation (Zr(4+)) in the passive film. The tribocorrosion performance of the BMGs was investigated using a reciprocating tribometer equipped with an electrochemical cell. The more passive nature of the Zr65-BMG had consequently a negative influence on its tribocorrosion resistance, which induced the wear-accelerated corrosion and eventually speeded-up the degradation process. It has been revealed the galvanic coupling was established between the depassivated wear track and the surrounding passive area, which is the main degradation mechanism for the passive Zr65-BMG subjected to the tribocorrosion environment. Copyright © 2015 Elsevier Ltd. All rights reserved.

  13. Dissolution process for ZrO.sub.2 -UO.sub.2 -CaO fuels

    DOEpatents

    Paige, Bernice E.

    1976-06-22

    The present invention provides an improved dissolution process for ZrO.sub.2 -UO.sub.2 -CaO-type pressurized water reactor fuels. The zirconium cladding is dissolved with hydrofluoric acid, immersing the ZrO.sub.2 -UO.sub.2 -CaO fuel wafers in the resulting zirconium-dissolver-product in the dissolver vessel, and nitric acid is added to the dissolver vessel to facilitate dissolution of the uranium from the ZrO.sub.2 -UO.sub.2 -CaO fuel wafers.

  14. Synthesis, characterization, and photocatalytic application of Pd/ZrO2 and Pt/ZrO2

    NASA Astrophysics Data System (ADS)

    Saeed, Khalid; Sadiq, Mohammad; Khan, Idrees; Ullah, Saleem; Ali, Nauman; Khan, Adnan

    2018-05-01

    Zirconia-supported palladium (Pd/ZrO2) and Zirconia-supported platinum (Pt/ZrO2) nanoparticles (NPs) are synthesized from their precursors via impregnation technique. The Pd/ZrO2 and Pt/ZrO2 NPs were analyzed via SEM and EDX, while the study of indigo disulfonate dye degradation was carried out by UV/VIS spectrophotometer. The SEM micrographs illustrated that the Pd and Pt NPs were well placed on ZrO2 surface. The Pd/ZrO2 and Pt/ZrO2 NPs were also employed as photocatalysts for the photodegradation of indigo disulfonate in an aqueous medium under UV-light irradiation. The photodegradation study presented that Pd/ZrO2 and Pt/ZrO2 NPs degraded 96 and 94% of indigo disulfonate in 14 h, respectively. The effect of pH of medium and catalyst dosage and efficiency of recovered Pd/ZrO2 and Pt/ZrO2 NPs on the photocatalytic degradation were also studied. It was also found that the maximum degradation of dye was found at pH 10 (95-97%) and at 0.02 g weight (40.28%).

  15. Nanocrystalline diamond protects Zr cladding surface against oxygen and hydrogen uptake: Nuclear fuel durability enhancement.

    PubMed

    Škarohlíd, Jan; Ashcheulov, Petr; Škoda, Radek; Taylor, Andrew; Čtvrtlík, Radim; Tomáštík, Jan; Fendrych, František; Kopeček, Jaromír; Cháb, Vladimír; Cichoň, Stanislav; Sajdl, Petr; Macák, Jan; Xu, Peng; Partezana, Jonna M; Lorinčík, Jan; Prehradná, Jana; Steinbrück, Martin; Kratochvílová, Irena

    2017-07-25

    In this work, we demonstrate and describe an effective method of protecting zirconium fuel cladding against oxygen and hydrogen uptake at both accident and working temperatures in water-cooled nuclear reactor environments. Zr alloy samples were coated with nanocrystalline diamond (NCD) layers of different thicknesses, grown in a microwave plasma chemical vapor deposition apparatus. In addition to showing that such an NCD layer prevents the Zr alloy from directly interacting with water, we show that carbon released from the NCD film enters the underlying Zr material and changes its properties, such that uptake of oxygen and hydrogen is significantly decreased. After 100-170 days of exposure to hot water at 360 °C, the oxidation of the NCD-coated Zr plates was typically decreased by 40%. Protective NCD layers may prolong the lifetime of nuclear cladding and consequently enhance nuclear fuel burnup. NCD may also serve as a passive element for nuclear safety. NCD-coated ZIRLO claddings have been selected as a candidate for Accident Tolerant Fuel in commercially operated reactors in 2020.

  16. Beneficial effect of Cu on Ti-Nb-Ta-Zr sputtered uniform/adhesive gum films accelerating bacterial inactivation under indoor visible light.

    PubMed

    Alhussein, Akram; Achache, Sofiane; Deturche, Regis; Sanchette, Frederic; Pulgarin, Cesar; Kiwi, John; Rtimi, Sami

    2017-04-01

    This article presents the evidence for the significant effect of copper accelerating the bacterial inactivation on Ti-Nb-Ta-Zr (TNTZ) sputtered films on glass up to a Cu content of 8.3 at.%. These films were deposited by dc magnetron co-sputtering of an alloy target Ti-23Nb-0.7Ta-2Zr (at.%) and a Cu target. The fastest bacterial inactivation of E. coli on this later TNTZ-Cu surface proceeded within ∼75min. The films deposited by magnetron sputtering are chemically homogenous. The film roughness evaluated by atomic force spectroscopy (AFM) on the TNTZ-Cu 8.3 at.% Cu sample presented an RMS-value of 20.1nm being the highest RMS of any Cu-sputtered TNTZ sample. The implication of the RMS value found for this sample leading to the fastest interfacial bacterial inactivation kinetics is also discussed. Values for the Young's modulus and hardness are reported for the TNTZ films in the presence of various Cu-contents. Evaluation of the bacterial inactivation kinetics of E. coli under low intensity actinic hospital light and in the dark was carried out. The stable repetitive bacterial inactivation was consistent with the extremely low Cu-ion release from the samples of 0.4 ppb. Evidence is presented by the bacterial inactivation dependence on the applied light intensity for the intervention of Cu as semiconductor CuO during the bacterial inactivation at the TNTZ-Cu interface. The mechanism of CuO-intervention under light is suggested based on the pH/and potential changes registered during bacterial disinfection. Copyright © 2017 Elsevier B.V. All rights reserved.

  17. Structural and dielectric properties of thin ZrO2 films on silicon grown by atomic layer deposition from cyclopentadienyl precursor

    NASA Astrophysics Data System (ADS)

    Niinistö, J.; Putkonen, M.; Niinistö, L.; Kukli, K.; Ritala, M.; Leskelä, M.

    2004-01-01

    ZrO2 thin films with thicknesses below 20 nm were deposited by the atomic layer deposition process on Si(100) substrates at 350 °C. An organometallic precursor, Cp2Zr(CH3)2 (Cp=cyclopentadienyl, C5H5) was used as the zirconium source and water or ozone as oxygen source. The influence of oxygen source and substrate pretreatment on the dielectric properties of ZrO2 films was investigated. Structural characterization with high-resolution transmission electron microscopy was performed to films grown onto HF-etched or native oxide covered silicon. Strong inhibition of ZrO2 film growth was observed with the water process on HF-etched Si. Ozone process on HF-etched Si resulted in interfacial SiO2 formation between the dense and uniform film and the substrate while water process produced interfacial layer with intermixing of SiO2 and ZrO2. The effective permittivity of ZrO2 in Al/ZrO2/Si/Al capacitor structures was dependent on the ZrO2 layer thickness and oxygen source used. The interfacial layer formation increased the capacitance equivalent oxide thickness (CET). CET of 2.0 nm was achieved with 5.9 nm ZrO2 film deposited with the H2O process on HF-stripped Si. The ozone-processed films showed good dielectric properties such as low hysteresis and nearly ideal flatband voltage. The leakage current density was lower and breakdown field higher for the ozone-processed ZrO2 films.

  18. Research on self-propagating high temperature synthesis prepared ZrC-ZrB2 composite ceramic

    NASA Astrophysics Data System (ADS)

    Yong, Cheng; Xunjia, Su; Genliang, Hou; YaKun, Xing

    2013-03-01

    ZrC-ZrB2 composite ceramic material is prepared by self-propagating high temperature synthesis, using Zr powders, CrO2 powders and Al powders as raw materials. Samples are studied by XRD and SEM, the results show that: ZrC-ZrB2 composite ceramic is attained after self-propagating high-temperature reaction, with Zr+ B4C as the main reactive system, and which is added respectively different content (CrO3 + Al) system. The study finds that the ceramic composite products are mainly composed of ZrC and ZrB2 phase, and other subphase. Compared to the main reactive system composite ceramic, composite ceramic grains grow up obviously, after introduction of the highly exothermic system (CrO3 + Al) in the main reactive system, and with the gradual increase of the content (CrO3 + Al).

  19. On the application of accelerated molecular dynamics to liquid water simulations.

    PubMed

    de Oliveira, César Augusto F; Hamelberg, Donald; McCammon, J Andrew

    2006-11-16

    Our group recently proposed a robust bias potential function that can be used in an efficient all-atom accelerated molecular dynamics (MD) approach to simulate the transition of high energy barriers without any advance knowledge of the potential-energy landscape. The main idea is to modify the potential-energy surface by adding a bias, or boost, potential in regions close to the local minima, such that all transitions rates are increased. By applying the accelerated MD simulation method to liquid water, we observed that this new simulation technique accelerates the molecular motion without losing its microscopic structure and equilibrium properties. Our results showed that the application of a small boost energy on the potential-energy surface significantly reduces the statistical inefficiency of the simulation while keeping all the other calculated properties unchanged. On the other hand, although aggressive acceleration of the dynamics simulation increases the self-diffusion coefficient of water molecules greatly and dramatically reduces the correlation time of the simulation, configurations representative of the true structure of liquid water are poorly sampled. Our results also showed the strength and robustness of this simulation technique, which confirm this approach as a very useful and promising tool to extend the time scale of the all-atom simulations of biological system with explicit solvent models. However, we should keep in mind that there is a compromise between the strength of the boost applied in the simulation and the reproduction of the ensemble average properties.

  20. Structure of zirconium-93 and zirconium-91 as shown by the reactions Zr-92(d,p)Zr-93 and Zr-92(d,t)Zr-91

    NASA Technical Reports Server (NTRS)

    Baron, N.; Leonard, R. F.; Stewart, W. M.; Fink, C. L.; Christensen, P. R.; Nickles, J.; Thorsteinsen, T. F.

    1972-01-01

    Deuterons of 13-MeV incident energy were scattered from Zr-92(d,p)Zr-93. The Zr-92(d,p)Zr-93 data analysis resulted in the location of 47 levels up to an excitation energy of 4.84 MeV, and the spins of 43 of these levels were identified. Essentially all the strength of the 2d5/2, 3s1/2, 2d3/2, and 1g7/2 shells was observed; and the excitation energy of their centroids was computed to be 0.00, 1.21, 2.23, and 2.37 MeV, respectively. Also, 43 percent of the 1h11/2 strength, 21 percent of the 2f7/2 strength, and 3 percent of the 3p3/2 strength were observed. In addition, the Zr-92(d,t)Zr-91 data analysis resulted in the location of 26 levels up to an excitation energy of 4.01 MeV, and the spins of 21 of these levels were identified. Most of the expected strength of the 2d5/2 and 1g9/2 shells was obtained, and the excitation energy of their centroids was computed to be 0.31 and 3.19 MeV, respectively. In addition, six l=1 states are populated belonging to either the 2p1/2 or 2p3/2 shells.

  1. Benzimidazole-functionalized Zr-UiO-66 nanocrystals for luminescent sensing of Fe3+ in water

    NASA Astrophysics Data System (ADS)

    Dong, Yingying; Zhang, Hanzhuo; Lei, Fan; Liang, Mei; Qian, Xuefeng; Shen, Peilian; Xu, Hui; Chen, Zhihui; Gao, Junkuo; Yao, Juming

    2017-01-01

    Zr-based MOF structure UiO-66 exhibits unprecedented high thermal and chemical stability, making it to be one of the most used MOFs in various applications. Yet, the poor photoluminescent (PL) properties of UiO-66 limit its applications in luminescent sensing. Herein, a new benzimidazole-functionalized UiO-66 nanocrystal (UiO-66-BI) was successfully fabricated via microwave synthesis. UiO-66-BI displayed octahedral nanocrystal morphology with a diameter smaller than 200 nm and could disperse well in water and common organic solvents. UiO-66-BI demonstrated extended optical absorption in the visible-light region and efficiently improved PL emission compared with UiO-66 pristine. The sensing properties of UiO-66-BI nanocrystals towards different ions were studied, and the results demonstrated that UiO-66-BI showed excellent selective luminescent sensing of Fe3+ ions in water.

  2. Zr-ZrO2 cermet solar coatings designed by modelling calculations and deposited by dc magnetron sputtering

    NASA Astrophysics Data System (ADS)

    Zhang, Qi-Chu; Hadavi, M. S.; Lee, K.-D.; Shen, Y. G.

    2003-03-01

    High solar performance Zr-ZrO2 cermet solar coatings were designed using a numerical computer model and deposited experimentally. The layer thickness and Zr metal volume fraction for the Zr-ZrO2 cermet solar selective coatings on a Zr or Al reflector with a surface ZrO2 or Al2O3 anti-reflection layer were optimized to achieve maximum photo-thermal conversion efficiency at 80°C under concentration factors of 1-20 using the downhill simplex method in multi-dimensions in the numerical calculation. The dielectric function and the complex refractive index of Zr-ZrO2 cermet materials were calculated using Sheng's approximation. Optimization calculations show that Al2O3/Zr-ZrO2/Al solar coatings with two cermet layers and three cermet layers have nearly identical solar absorptance, emittance and photo-thermal conversion efficiency that are much better than those for films with one cermet layer. The optimized Al2O3/Zr-ZrO2/Al solar coating film with two cermet layers has a high solar absorptance value of 0.97 and low hemispherical emittance value of 0.05 at 80°C for a concentration factor of 2. The Al2O3/Zr-ZrO2/Al solar selective coatings with two cermet layers were deposited using dc magnetron sputtering technology. During the deposition of Zr-ZrO2 cermet layer, a Zr metallic target was run in a gas mixture of argon and oxygen. By control of oxygen flow rate the different metal volume fractions in the cermet layers were achieved using dc reactive sputtering. A solar absorptance of 0.96 and normal emittance of 0.05 at 80°C were achieved.

  3. Microemulsion and Sol-Gel Synthesized ZrO₂-MgO Catalysts for the Liquid-Phase Dehydration of Xylose to Furfural.

    PubMed

    Parejas, Almudena; Montes, Vicente; Hidalgo-Carrillo, Jesús; Sánchez-López, Elena; Marinas, Alberto; Urbano, Francisco J

    2017-12-18

    Two series of catalysts were prepared by sol-gel and microemulsion synthetic procedure (SG and ME, respectively). Each series includes both pure Mg and Zr solids as well as Mg-Zr mixed solids with 25%, 50% and 75% nominal Zr content. The whole set of catalysts was characterized from thermal, structural and surface chemical points of view and subsequently applied to the liquid-phase xylose dehydration to furfural. Reactions were carried out in either a high-pressure autoclave or in an atmospheric pressure multi-reactor under a biphasic (organic/water) reaction mixture. Butan-2-ol and toluene were essayed as organic solvents. Catalysts prepared by microemulsion retained part of the surfactant used in the synthetic procedure, mainly associated with the Zr part of the solid. The MgZr-SG solid presented the highest surface acidity while the Mg3Zr-SG one exhibited the highest surface basicity among mixed systems. Xylose dehydration in the high-pressure system and with toluene/water solvent mixture led to the highest furfural yield. Moreover, the yield of furfural increases with the Zr content of the catalyst. Therefore, the catalysts constituted of pure ZrO₂ (especially Zr-SG) are the most suitable to carry out the process under study although MgZr mixed solids could be also suitable for overall processes with additional reaction steps.

  4. Cascade Reductive Etherification of Bioderived Aldehydes over Zr-Based Catalysts.

    PubMed

    Shinde, Suhas; Rode, Chandrashekhar

    2017-10-23

    An efficient one-pot catalytic cascade sequence has been developed for the production of value-added ethers from bioderived aldehydes. Etherification of 5-(hydroxymethyl)furfural with different aliphatic alcohols over acidic Zr-montmorillonite (Zr-Mont) catalyst produced a mixture of 5-(alkoxymethyl)furfural and 2-(dialkoxymethyl)-5-(alkoxymethyl)furan. The latter was selectively converted back into 5-(alkoxymethyl)furfural by treating it with water over the same catalyst. The synthesis of 2,5-bis(alkoxymethyl)furan was achieved through a cascade sequence involving etherification, transfer hydrogenation, and re-etherification over a combination of acidic Zr-Mont and the charge-transfer hydrogenation catalyst [ZrO(OH) 2 ]. This catalyst combination was further explored for the cascade conversion of 2-furfuraldehyde into 2-(alkoxymethyl)furan. The scope of this strategy was then extended for the reductive etherification of lignin-derived arylaldehydes to obtain the respective benzyl ethers in >80 % yield. Additionally, the mixture of Zr-Mont and ZrO(OH) 2 does not undergo mutual destruction, which was proved by recycling experiments and XRD analysis. Both the catalysts were thoroughly characterized using BET, temperature-programmed desorption of NH 3 and CO 2 , pyridine-FTIR, XRD, inductively coupled plasma optical emission spectroscopy, and X-ray photoelectron spectroscopy techniques. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  5. Microstructural Improvement of Hydroxyapatite-ZrO2 Composite Ceramics via Thermal Precipitation Techniques.

    NASA Astrophysics Data System (ADS)

    Sangmala, A.; Limsuwan, P.; Kaewwiset, W.; Naemchanthara, K.

    2017-09-01

    Hydroxyapatite-ZrO2 composite ceramic were synthesized using a thermal precipitation techniques. The chemical precursors were prepared from di-ammonium hydrogen orthophosphate, calcium oxide (CaO) derived from chicken eggshell, zirconium dioxide (ZrO2) and distilled water. The mixture were heated at the various temperatures from 100 to 700 °C in the furnace with an incremental temperature of 100 °C. The ZrO2 contents in the composite ceramic were varied from 0 to 15 percent weight of CaO. The prepared composites were then annealed at 300, 600 and 700 °C for 4 h in air. The crystal structure, function group and morphology of all samples were characterized by X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), field emission scanning electron microscopy (FESEM) and universal testing machine (UTM), respectively. The results indicated that the undoped-ZrO2 samples hydroxyapatite phase with a hexagonal structure. However, the hydroxyapatite was transformed to the tri-calcium phosphate after thermal treatment at 700 °C. For the doped-ZrO2 samples, the hydroxyapatite and ZrO2 phases were found. Moreover, the result showed that the compressive strength of hydroxyapatite-ZrO2 composite ceramic increased with increasing the ZrO2 content.

  6. Evidence of soluble microbial products accelerating chloramine decay in nitrifying bulk water samples.

    PubMed

    Bal Krishna, K C; Sathasivan, Arumugam; Chandra Sarker, Dipok

    2012-09-01

    The discovery of a microbially derived soluble product that accelerates chloramine decay is described. Nitrifying bacteria are believed to be wholly responsible for rapid chloramine loss in drinking water systems. However, a recent investigation showed that an unidentified soluble agent significantly accelerated chloramine decay. The agent was suspected to be either natural organic matter (NOM) or soluble microbial products (SMPs). A laboratory scale reactor was fed chloraminated reverse osmosis (RO) treated water to eliminate the interference from NOM. Once nitrification had set in, experiments were conducted on the reactor and feed waters to determine the identity of the component. The study showed the presence of SMPs released by microbes in severely nitrified waters. Further experiments proved that the SMPs significantly accelerated chloramine decay, probably through catalytic reaction. Moreover, application of common protein denaturing techniques stopped the reaction implying that the compound responsible was likely to be a protein. This significant finding will pave the way for better control of chloramine in the distribution systems. Copyright © 2012 Elsevier Ltd. All rights reserved.

  7. Descriptions of crack growth behaviors in glass-ZrO2 bilayers under thermal residual stresses.

    PubMed

    Belli, Renan; Wendler, Michael; Zorzin, José I; Petschelt, Anselm; Tanaka, Carina B; Meira, Josete; Lohbauer, Ulrich

    2016-09-01

    This study was intended to separate residual stresses arising from the mismatch in coefficients of thermal expansion between glass and zirconia (ZrO2) from those stresses arising solely from the cooling process. Slow crack growth experimentes were undertaken to demonstrate how cracks grow in different residual stress fields. Aluminosilicate glass discs were sintered onto ZrO2 to form glass-ZrO2 bilayers. Glass discs were allowed to bond to the ZrO2 substrate during sintering or prevented from bonding by means of coating the ZrO2 with a thin boron nitrade coating. Residual stress gradients on "bonded" and "unbonded" bilayers were assessed using birefringence measurements. Unbonded glass discs were further tested under biaxial flexure in dynamic fatigue conditions in order to evaluate the effect of residual stress on the slow crack growth behavior. When fast-ccoling was induced, residual tensile stresses on the glass increased significantly on the side toward the ZrO2 substrate. By allowing the bond between glass and ZrO2, those tensile stresses observed in unbonded specimens are overwhelmed by the contraction mismatch stresses between the ZrO2 substrate and the glassy overlayer. Specimens containing residual tensile stresses on the bending surface showed a time-dependent strength increase in relation to stress-free annealed samples in the dynamic biaxial bending test, with this effect being dependent on the magnitude of the residual tensile stress. The phenomenon observed is explained here on the basis of the water toughening effect, in which water diffuses into the glass promoting local swelling. An additional residual tensile stress at the crack tip adds an applied-stress-independent (Kres) term to the total tip stress intensity factor (Ktip), increasing the stress-enhanced diffusion and the shielding of the crack tip through swelling of the crack faces. Residual stresses in the glass influence the crack growth behavior of veneered-ZrO2 bilayered dental prostheses

  8. Effect of HIP temperature on microstructure and low cycle fatigue strength of CuCrZr alloy

    NASA Astrophysics Data System (ADS)

    Nishi, Hiroshi; Enoeda, Mikio

    2011-10-01

    In order to investigate the effect of the HIP cycle temperatures on the metallurgic degradation and the mechanical properties of CuCrZr alloy, assessments of the microstructure, tensile test, Charpy impact test and low cycle fatigue test are performed for various heat treated CuCrZr alloys, which were solution-annealed followed by water-quenched and aged state of CuCrZr with simulated HIP cycle at temperatures of 980 and 1045 °C. Grain growth occurred on 1045 °C HIP CuCrZr, though slightly on 980 °C HIP CuCrZr. Metallurgic degradation such as voids was not found by optical and SEM observations. There were coarse precipitates in all the CuCrZr and the precipitates did not easily dissolve at 980 °C. The low cycle fatigue strength of 1045 °C HIP CuCrZr was lower than that of other CuCrZr because of the metallurgic degradation caused by the heat cycle, while that of other CuCrZr was corresponding to the best fit curve of ITER MPH.

  9. Preparation of graphene-ZrO2 nanocomposites by heat treatment and photocatalytic degradation of organic dyes.

    PubMed

    Cho, Bum Hwi; Ko, Weon Bae

    2013-11-01

    ZrO2 nanoparticles were synthesized by combining a solution containing zinconyl chloride in distilled water with a NH4OH solution under microwave irradiation. Graphene and ZrO2 nanocomposites were synthesized in an electric furnace at 700 degrees C for 2 hours. The heated graphene-ZrO2 nanocomposites were characterized by X-ray diffraction, scanning electron microscopy and transmission electron microscopy. In addition, UV-vis spectrophotometry was used to evaluate the heated graphene-ZrO2 nanocomposites as a catalyst in the photocatalytic degradation of organic dyes. The photocatalytic effect of the heated graphene-ZrO2 nanocomposites was compared with that of unheated graphene nanoparticles, heated graphene nanoparticles, and unheated graphene-ZrO2 nanocomposites in organic dyes (methylene blue, methyl orange, and rhodamine B) under ultraviolet light at 254 nm.

  10. Zr diffusion in titanite

    NASA Astrophysics Data System (ADS)

    Cherniak, D. J.

    2006-11-01

    Chemical diffusion of Zr under anhydrous, pO2-buffered conditions has been measured in natural titanite. The source of diffusant was either zircon powder or a ZrO2-Al2O3-titanite mixture. Experiments were run in sealed silica glass capsules with solid buffers (to buffer at NNO or QFM). Rutherford Backscattering Spectrometry (RBS) was used to measure diffusion profiles. The following Arrhenius parameters were obtained for Zr diffusion parallel to c over the temperature range 753-1,100°C under NNO-buffered conditions: D Zr = 5.33 × 10-7 exp(-325 ± 30 kJ mol-1/RT) m2 s-1 Diffusivities are similar for experiments buffered at QFM. These data suggest that titanite should be moderately retentive of Zr chemical signatures, with diffusivities slower than those for O and Pb in titanite, but faster than those for Sr and the REE. When applied in evaluation of the relative robustness of the recently developed Zr-in-titanite geothermometer (Hayden and Watson, Abstract, 16th V.M. Goldschmidt Conference 2006), these findings suggest that Zr concentrations in titanite will be less likely to be affected by later thermal disturbance than the geothermometer based on Zr concentrations in rutile (Zack et al. in Contrib Mineral Petrol 148:471-488, 2004; Watson et al. in Contrib Mineral. Petrol, 2006), but much less resistant to diffusional alteration subsequent to crystallization than the Ti-in-Zircon geothermometer (Watson and Harrison in Science 308:841-844, 2005).

  11. The preparation of Zr-deuteride and phase stability studies of the Zr-D system

    NASA Astrophysics Data System (ADS)

    Maimaitiyili, T.; Steuwer, A.; Bjerkén, C.; Blomqvist, J.; Hoelzel, M.; Ion, J. C.; Zanellato, O.

    2017-03-01

    Deuteride phases in the zirconium-deuterium system in the temperature range 25-286 °C have been studied in-situ by high resolution neutron diffraction. The study primarily focused on observations of δ→γ transformation at 180 °C, and the peritectoid reaction α + δ ↔ γ at 255 °C in commercial grade Zr powder that was deuterated to a deuterium/Zr ratio of one to one. A detailed description of the zirconium deuteride preparation route by high temperature gas loading is also described. The lattice parameters of α-Zr, δ-ZrDx and ε-ZrDx were determined by whole pattern crystal structure analysis, using Rietveld and Pawley refinements, and are in good agreement with values reported in the literature. The controversial γ-hydride phase was observed both in-situ and ex-situ in deuterated Zr powder after a heat treatment at 286 °C and slow cooling.

  12. Effect of hydrothermal condition on the formation of multi-component oxides of Ni-based metallic glass under high temperature water near the critical point

    DOE PAGES

    Kim, J. S.; Kim, S. Y.; Kim, D. H.; ...

    2015-07-01

    The specific feature of multi-component oxides synthesized by hydrothermal process under high temperature (633 K) and highly pressurized water (18.9 MPa) near critical point. Effects of hydrothermal processing duration times 24 hours and 72 hours, respectively, on the oxide formation of the Ni 59Zr 20Ti 16Si 2Sn 3 metallic glass synthesized by powder metallurgy process were characterized by X-ray diffractometer, differential scanning calorimeter along with the particle size, morphology and crystalline phase of the oxides. The crystallization of the needle-shape NiTiO 3, ZrTiO 4 and ZrSnO 4 ternary oxide phases observed on the surface of metallic glass at below glassmore » transition temperature and the morphology of oxide phases changed to plate-shape around 2 μm in diameter by the increase processing time. This hydrothermal processing in subcritical water provides accelerated dense metal oxide crystals due to the reaction medium being at higher pressure than conventional oxidation processing.« less

  13. Lattice Thermal Conductivity from Atomistic Simulations: ZrB2 and HfB2

    NASA Technical Reports Server (NTRS)

    Lawson, John W.; Daw, Murray S.; Bauschlicher, Charles W.

    2012-01-01

    Ultra high temperature ceramics (UHTC) including ZrB2 and HfB2 have a number of properties that make them attractive for applications in extreme environments. One such property is their high thermal conductivity. Computational modeling of these materials will facilitate understanding of fundamental mechanisms, elucidate structure-property relationships, and ultimately accelerate the materials design cycle. Progress in computational modeling of UHTCs however has been limited in part due to the absence of suitable interatomic potentials. Recently, we developed Tersoff style parameterizations of such potentials for both ZrB2 and HfB2 appropriate for atomistic simulations. As an application, Green-Kubo molecular dynamics simulations were performed to evaluate the lattice thermal conductivity for single crystals of ZrB2 and HfB2. The atomic mass difference in these binary compounds leads to oscillations in the time correlation function of the heat current, in contrast to the more typical monotonic decay seen in monoatomic materials such as Silicon, for example. Results at room temperature and at elevated temperatures will be reported.

  14. Purification of nuclear grade Zr scrap as the high purity dense Zr deposits from Zirlo scrap by electrorefining in LiF-KF-ZrF4 molten fluorides

    NASA Astrophysics Data System (ADS)

    Park, Kyoung Tae; Lee, Tae Hyuk; Jo, Nam Chan; Nersisyan, Hayk H.; Chun, Byong Sun; Lee, Hyuk Hee; Lee, Jong Hyeon

    2013-05-01

    Zirconium (Zr) has commonly been used as a cladding material of nuclear fuel. Moreover, it is regarded as the only material that can be used for nuclear fuel cladding because it has the lowest neutron capture cross section of any metal element and because it has high corrosion resistance and size stability. In this study, Hf-free Zr tubes (Zr-1Nb-1Sn-0.1Fe) were used as anode materials and electrorefining was performed in a LiF-KF eutectic 6 wt.% ZrF4 molten fluoride salt system. As a result of electrolysis, Zr scrap metal was recycled into pure Zr with low levels of impurities, and the size and density of the Zr deposit was controlled using applied current density.

  15. Benzimidazole-functionalized Zr-UiO-66 nanocrystals for luminescent sensing of Fe{sup 3+} in water

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Dong, Yingying; Zhang, Hanzhuo; Lei, Fan

    2017-01-15

    Zr-based MOF structure UiO-66 exhibits unprecedented high thermal and chemical stability, making it to be one of the most used MOFs in various applications. Yet, the poor photoluminescent (PL) properties of UiO-66 limit its applications in luminescent sensing. Herein, a new benzimidazole-functionalized UiO-66 nanocrystal (UiO-66-BI) was successfully fabricated via microwave synthesis. UiO-66-BI displayed octahedral nanocrystal morphology with a diameter smaller than 200 nm and could disperse well in water and common organic solvents. UiO-66-BI demonstrated extended optical absorption in the visible-light region and efficiently improved PL emission compared with UiO-66 pristine. The sensing properties of UiO-66-BI nanocrystals towards different ionsmore » were studied, and the results demonstrated that UiO-66-BI showed excellent selective luminescent sensing of Fe{sup 3+} ions in water.« less

  16. Mass transport and crystal growth of the mixed ZrS2-ZrSe2 system

    NASA Technical Reports Server (NTRS)

    Wiedemeier, Heribert; Goldman, Howard

    1986-01-01

    The solid solubility of the ZrS2-ZrSe2 system was reinvestigated by annealing techniques to establish the relationship between composition and lattice parameters. Mixed crystals of ZrS(2x)Se2(1-x) for selected compositions of the source material were grown by chemical vapor transport and characterized by X-ray diffraction and microscopic methods. The mass transport rates and crystal growth of ZrSSe were investigated and compared with those of other compositions. The mass fluxes of the mixed system showed an increase with increasing selenium content. The transport products were richer in ZrSe2 than the residual source materials when the ZrSe2 content of the starting materials was greater than 50 mol.-pct. The mass transport rates revealed an increasing mass flux with pressure.

  17. Selective sorption of lead, cadmium and zinc ions by a polymeric cation exchanger containing nano-Zr(HPO3S)2.

    PubMed

    Zhang, Qingrui; Pan, Bingcai; Pan, Bingjun; Zhang, Weiming; Jia, Kun; Zhang, Quanxing

    2008-06-01

    A novel polymeric hybrid sorbent, namely ZrPS-001, was fabricated for enhanced sorption of heavy metal ions by impregnating Zr(HPO3S)2 (i.e., ZrPS) nanoparticles within a porous polymeric cation exchanger D-001. The immobilized negatively charged groups bound to the polymeric matrix D-001 would result in preconcentration and permeation enhancement of target metal ions prior to sequestration, and ZrPS nanoparticles are expected to sequester heavy metals selectively through an ion-exchange process. Highly effective sequestration of lead, cadmium, and zinc ions from aqueous solution can be achieved by ZrPS-001 even in the presence of competing calcium ion at concentration several orders of magnitude greater than the target species. The exhausted ZrPS-001 beads are amenable to regeneration with 6 M HCI solution for repeated use without any significant capacity loss. Fixed-bed column treatment of simulated waters containing heavy metals at high or trace levels was also performed. The content of heavy metals in treated effluent approached or met the WHO drinking water standard.

  18. Biocompatible Ni-free Zr-based bulk metallic glasses with high-Zr-content: compositional optimization for potential biomedical applications.

    PubMed

    Hua, Nengbin; Huang, Lu; Chen, Wenzhe; He, Wei; Zhang, Tao

    2014-11-01

    The present study designs and prepares Ni-free Zr60+xTi2.5Al10Fe12.5-xCu10Ag5 (at.%, x=0, 2.5, 5) bulk metallic glasses (BMGs) by copper mold casting for potential biomedical application. The effects of Zr content on the in vitro biocompatibility of the Zr-based BMGs are evaluated by investigating mechanical properties, bio-corrosion behavior, and cellular responses. It is found that increasing the content of Zr is favorable for the mechanical compatibility with a combination of low Young's modulus, large plasticity, and high notch toughness. Electrochemical measurements demonstrate that the Zr-based BMGs are corrosion resistant in a phosphate buffered saline solution. The bio-corrosion resistance of BMGs is improved with the increase in Zr content, which is attributed to the enrichment in Zr and decrease in Al concentration in the surface passive film of alloys. Regular cell responses of mouse MC3T3-E1 cells, including cell adhesion and proliferation, are observed on the Zr-Ti-Al-Fe-Cu-Ag BMGs, which reveals their general biosafety. The high-Zr-based BMGs exhibit a higher cell proliferation activity in comparison with that of pure Zr and Ti-6Al-4V alloy. The effects of Zr content on the in vitro biocompatibility can be used to guide the future design of biocompatible Zr-based BMGs. Copyright © 2014 Elsevier B.V. All rights reserved.

  19. Novel approach to Zr powder production by smooth ZrCl4 bubbling through molten salt

    NASA Astrophysics Data System (ADS)

    Bae, Hyun-Na; Choi, Mi-Seon; Lee, Go-Gi; Kim, Seon-Hyo

    2016-01-01

    A reduction process using ZrCl4 bubbles as a reactant was investigated to produce zirconium metals. ZrCl4 vapor was bubbled through the lance in the bath, in which Mg melt and MgCl2 salt were separated. Zr powder was formed by a reduction of ZrCl4 bubbles in magnesium layer. However, the lance was clogged by the aggregate of zirconium occurred during ZrCl4 vapor injecting leading to interruption of ZrCl4 supply into the bath. This phenomenon could be caused by the presence of magnesium at the lance tip, which passes through MgCl2 salt during bubbling, and then zirconium was formed in the forms of intermetallic compounds with aluminum. In this study, the effect of molten salt on the troubled phenomena was investigated and it was verified that CaCl2 with relatively low Weber number meaning relatively high surface tension as molten salt is effective in inhibiting the lance clogging phenomena. Then, a few micrometer-sized Zr powder with the high purity of 91.6 wt% was obtained smoothly without the formation of intermetallic compound.

  20. Aqueous Isolation of 17-Nuclear Zr-/Hf- Oxide Clusters during the Hydrothermal Synthesis of ZrO2/HfO2.

    PubMed

    Sung, Qing; Liu, Caiyun; Zhang, Guanyun; Zhang, Jian; Tung, Chen-Ho; Wang, Yifeng

    2018-06-21

    Novel 17-nuclear Zr-/Hf- oxide clusters ({Zr17} and {Hf17}) are isolated from aqueous systems. In the clusters, Zr/Hf ions are connected via μ3-O, μ3-OH and μ2-OH linkages into a pinwheel core which is wrapped with SO42-, HCOO- and aqua ligands. Octahedral hexanuclear Zr-/Hf- oxide clusters ({Zr6}oct and {Hf6}oct) are also isolated from the same hydrothermal system by decreasing the synthesis temperature. Structural analysis, synthetic conditions, vibrational spectra and ionic conductivity of the clusters are studied. Structural studies and synthesis inspection suggest that formation of {Zr6}oct and {Zr17} involves assembly of the same transferable building blocks, but the condensation degree and thermodynamic stability of the products increase with hydrothermal temperature. The role of {Zr6}oct and {Zr17} in the formation of ZrO2 nanocrystals are then discussed in the scenario of nonclassical nucleation theory. Besides, the Zr-oxide clusters exhibit ionic conductivity due to the mobility of protons. This study not only adds new members to the Zr-/Hf- oxide cluster family, but also establishes a connection from Zr4+ ions to ZrO2 in the hydrothermal preparation of zirconium oxide nanomaterials. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  1. Physical properties of molten core materials: Zr-Ni and Zr-Cr alloys measured by electrostatic levitation

    NASA Astrophysics Data System (ADS)

    Ohishi, Yuji; Kondo, Toshiki; Ishikawa, Takehiko; Okada, Junpei T.; Watanabe, Yuki; Muta, Hiroaki; Kurosaki, Ken; Yamanaka, Shinsuke

    2017-03-01

    It is important to understand the behaviors of molten core materials to investigate the progression of a core meltdown accident. In the early stages of bundle degradation, low-melting-temperature liquid phases are expected to form via the eutectic reaction between Zircaloy and stainless steel. The main component of Zircaloy is Zr and those of stainless steel are Fe, Ni, and Cr. Our group has previously reported physical property data such as viscosity, density, and surface tension for Zr-Fe liquid alloys using an electrostatic levitation technique. In this study, we report the viscosity, density, and surface tension of Zr-Ni and Zr-Cr liquid alloys (Zr1-xNix (x = 0.12 and 0.24) and Zr0.77Cr0.23) using the electrostatic levitation technique.

  2. Hydrogen absorption of Pd/ZrO2 composites prepared from Zr65Pd35 and Zr60Pd35Pt5 amorphous alloys

    NASA Astrophysics Data System (ADS)

    Ozawa, Masakuni; Katsuragawa, Naoya; Hattori, Masatomo; Yogo, Toshinobu; Yamamura, Shin-ichi

    2018-01-01

    Metal-dispersed composites were derived from amorphous Zr65Pd35 and Zr65Pd30Pt5 alloys and their hydrogen absorption behavior was studied. X-ray diffractograms and scanning electron micrographs indicated that mixtures containing ZrO2, the metallic phase of Pd, and PdO were formed for both amorphous alloys heat-treated in air. In the composites, micron-sized Pd-based metal precipitates were embedded in a ZrO2 matrix after heat treatment at 800 °C in air. The hydrogen temperature-programmed reduction was applied to study the reactivity of hydrogen gas with the oxidized Zr65Pd35 and Zr65Pd30Pt5 materials. Rapid hydrogen absorption and release were observed on the composite derived from the amorphous alloy below 100 °C. The hydrogen pressure-concentration isotherm showed that the absorbed amount of hydrogen in materials depended on the formation of the Pd or Pt-doped Pd phase and its large interface area to the matrix in the nanocomposites. The results indicate the importance of the composite structure for the fabrication of a new type of hydrogen storage material prepared from amorphous alloys.

  3. Mechanical properties and bio-tribological behaviors of novel beta-Zr-type Zr-Al-Fe-Nb alloys for biomedical applications.

    PubMed

    Hua, Nengbin; Chen, Wenzhe; Zhang, Lei; Li, Guanghui; Liao, Zhenlong; Lin, Yan

    2017-07-01

    The present study prepares novel Zr 70+x Al 5 Fe 15-x Nb 10 (x=0, 5) alloys by arc-melting for potential biomedical application. The mechanical properties and bio-tribological behaviors of the Zr-based alloys are evaluated and compared with biomedical pure Zr. The as-prepared alloys exhibit a microstructure containing a micrometer-sized dendritic beta-Zr phase dispersed in a Zr 2 Fe-typed matrix. It is found that increasing the content of Zr is favorable for the mechanical compatibility with a combination of low Young's modulus, large plasticity, and high compressive strength. The wear resistance of the Zr-Al-Fe-Nb alloys in air and phosphate buffer saline (PBS) solution is superior to that of pure Zr. The wear mechanism of Zr-based alloys sliding in air is controlled by oxidation and abrasive wear whereas that sliding in PBS is controlled by synergistic effects of the abrasive and corrosive wear. Electrochemical measurements demonstrate that the Zr-based alloys are corrosion resistant in PBS. Their bio-corrosion resistance is improved with the increase in Zr content, which is attributed to the enrichment in Zr and decrease in Al concentration in the surface passive film of alloys. The Zr 75 Al 5 Fe 10 Nb 10 exhibits the best corrosion resistance in PBS, which contributes to its superior wear resistance in a simulated body environment. The combination of good mechanical properties, corrosion resistance, and biotribological behaviors of the Zr-Al-Fe-Nb alloys offers them potential advantages in biomedical applications. Copyright © 2017 Elsevier B.V. All rights reserved.

  4. Improved production and processing of ⁸⁹Zr using a solution target.

    PubMed

    Pandey, Mukesh K; Bansal, Aditya; Engelbrecht, Hendrik P; Byrne, John F; Packard, Alan B; DeGrado, Timothy R

    2016-01-01

    The objectives of the present work were to improve the cyclotron production yield of (89)Zr using a solution target, develop a practical synthesis of the hydroxamate resin used to process the target, and develop a biocompatible medium for (89)Zr elution from the hydroxamate resin. A new solution target (BMLT-2) with enhanced heat dissipation capabilities was designed by using helium-cooled dual foils (0.2 mm Al and 25 μ Havar) and an enhanced water-cooled, elongated solution cavity in the target insert. Irradiations were performed with 14 MeV protons on a 2M solution of yttrium nitrate in 1.25 M nitric acid at 40-μA beam current for 2 h in a closed system. Zirconium-89 was separated from Y by use of a hydroxamate resin. A one-pot synthesis of hydroxamate resin was accomplished by activating the carboxylate groups on a carboxymethyl cation exchange resin using methyl chloroformate followed by reaction with hydroxylamine hydrochloride. After trapping of (89)Zr on hydroxamate resin and rinsing the resin with HCl and water to release Y, (89)Zr was eluted with 1.2 M K2HPO4/KH2PO4 buffer (pH3.5). ICP-MS was used to measure metal contaminants in the final (89)Zr solution. The BMLT-2 target produced 349±49 MBq (9.4±1.2 mCi) of (89)Zr at the end of irradiation with a specific activity of 1.18±0.79 GBq/μg. The hydroxamate resin prepared using the new synthesis method showed a trapping efficiency of 93% with a 75 mg resin bed and 96-97% with a 100-120 mg resin bed. The elution efficiency of (89)Zr with 1.2M K2HPO4/KH2PO4 solution was found to be 91.7±3.7%, compared to >95% for 1 M oxalic acid. Elution with phosphate buffer gave very small levels of metal contaminants: Al=0.40-0.86 μg (n=2), Fe=1.22±0.71 μg (n=3), Y=0.29 μg (n=1). The BMLT-2 target allowed doubling of the beam current for production of (89)Zr, resulting in a greater than 2-fold increase in production yield in comparison with a conventional liquid target. The new one-pot synthesis of hydroxamate

  5. Crystal Nucleation and Growth in Undercooled Melts of Pure Zr, Binary Zr-Based and Ternary Zr-Ni-Cu Glass-Forming Alloys

    NASA Astrophysics Data System (ADS)

    Herlach, Dieter M.; Kobold, Raphael; Klein, Stefan

    2018-03-01

    Glass formation of a liquid undercooled below its melting temperature requires the complete avoidance of crystal nucleation and subsequent crystal growth. Even though they are not part of the glass formation process, a detailed knowledge of both processes involved in crystallization is mandatory to determine the glass-forming ability of metals and metallic alloys. In the present work, methods of containerless processing of drops by electrostatic and electromagnetic levitation are applied to undercool metallic melts prior to solidification. Heterogeneous nucleation on crucible walls is completely avoided giving access to large undercoolings. A freely suspended drop offers the additional benefit of showing the rapid crystallization process of an undercooled melt in situ by proper diagnostic means. As a reference, crystal nucleation and dendrite growth in the undercooled melt of pure Zr are experimentally investigated. Equivalently, binary Zr-Cu, Zr-Ni and Zr-Pd and ternary Zr-Ni-Cu alloys are studied, whose glass-forming abilities differ. The experimental results are analyzed within classical nucleation theory and models of dendrite growth. The findings give detailed knowledge about the nucleation-undercooling statistics and the growth kinetics over a large range of undercooling.

  6. Effects of chemical composition and test conditions on the dynamic tensile response of Zr-based metallic glasses

    NASA Astrophysics Data System (ADS)

    Wang, F.; Laws, K.; Martinez, D.; Trujillo, C. P.; Brown, A. D.; Cerreta, E. K.; Hazell, P. J.; Ferry, M.; Quadir, M. Z.; Jiang, J.; Escobedo, J. P.

    2017-01-01

    The effects of impact velocity and temperature on the dynamic mechanical behavior of two bulk metallic (BMG) alloys with slightly different elemental compositions (Zr55Cu30Ni5Al30 and Zr46Cu38Ag8Al38) have been investigated. Bullet-shaped samples were accelerated by a gas gun to speeds in the 400˜600m/s range and tested at both room temperature and 250°C. The samples impacted steel extrusion dies which subjected the bullets to high strains at relatively high strain-rates. The extruded fragments were subsequently soft recovered by using low density foams and examined by means of optical/scanning electron microscopy and differential scanning calorimetry. It was found that shear banding was the dictating mechanism responsible for the fracture of all BMGs. At room temperature, the Zr55Cu30Ni5Al30 alloy exhibited a higher resistance to fragmentation than the Zr46Cu38Ag8Al38 alloy. At 250°C, significant melting was observed in the recovered fragments of both alloys, which indicates that the BMG glassy structure undergoes a melting process and deformation likely occurs homogeneously.

  7. In-beam studies of sup 96 Zr and sup 98 Zr: Collective excitations

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Henry, E.A.; Meyer, R.A.; Aprahamian, A.

    1988-04-18

    Nearly two decades ago signatures of deformation in the ground state bands of {sup 100}Zr and {sup 102}Zr were identified, and the rapid change in the deformation of heavy zirconium nuclei noted. It is now well accepted that the short-range proton-neutron interaction between the 1g{sub 9/2} and 1g{sub 7/2} spin-orbit partners plays an important role in producing ground state deformation in this region. Nevertheless, recent studies of zirconium nuclei, including those in the transition region, continue to refine our understanding of the interplay between single-particle and collective degrees of freedom. In this report we discuss some aspects of the levelmore » structures of {sup 96}Zr and {sup 98}Zr with emphasis on collective excitations. 18 refs., 2 tabs.« less

  8. Arc melting and homogenization of ZrC and ZrC + B alloys

    NASA Technical Reports Server (NTRS)

    Darolia, R.; Archbold, T. F.

    1973-01-01

    A description is given of the methods used to arc-melt and to homogenize near-stoichiometric ZrC and ZrC-boron alloys, giving attention to the oxygen contamination problem. The starting material for the carbide preparation was ZrC powder with an average particle size of 4.6 micron. Pellets weighing approximately 3 g each were prepared at room temperature from the powder by the use of an isostatic press operated at 50,000 psi. These pellets were individually melted in an arc furnace containing a static atmosphere of purified argon. A graphite resistance furnace was used for the homogenization process.

  9. Ternary semiconductors NiZrSn and CoZrBi with half-Heusler structure: A first-principles study

    NASA Astrophysics Data System (ADS)

    Fiedler, Gregor; Kratzer, Peter

    2016-08-01

    The ternary semiconductors NiZrSn and CoZrBi with C 1b crystal structure are introduced by calculating their basic structural, electronic, and phononic properties using density functional theory. Both the gradient-corrected PBE functional and the hybrid functional HSE06 are employed. While NiZrSn is found to be a small-band-gap semiconductor (Eg=0.46 eV in PBE and 0.60 eV in HSE06), CoZrBi has a band gap of 1.01 eV in PBE (1.34 eV in HSE06). Moreover, effective masses and deformation potentials are reported. In both materials A B C , the intrinsic point defects introduced by species A (Ni or Co) are calculated. The Co-induced defects in CoZrBi are found to have a higher formation energy compared to Ni-induced defects in NiZrSn. The interstitial Ni atom (Nii) as well as the VNiNii complex introduce defect states in the band gap, whereas the Ni vacancy (VNi) only reduces the size of the band gap. While Nii is electrically active and may act as a donor, the other two types of defects may compensate extrinsic doping. In CoZrBi, only the VCoCoi complex introduces a defect state in the band gap. Motivated by the reported use of NiZrSn for thermoelectric applications, the Seebeck coefficient of both materials, both in the p -type and the n -type regimes, is calculated. We find that CoZrBi displays a rather large thermopower of up to 500 μ V /K when p doped, whereas NiZrSn possesses its maximum thermopower in the n -type regime. The reported difficulties in achieving p -type doping in NiZrSn could be rationalized by the unintended formation of Nii2 + in conjunction with extrinsic acceptors, resulting in their compensation. Moreover, it is found that all types of defects considered, when present in concentrations as large as 3%, tend to reduce the thermopower compared to ideal bulk crystals at T =600 K. For NiZrSn, the calculated thermodynamic data suggest that additional Ni impurities could be removed by annealing, leading to precipitation of a metallic Ni2ZrSn phase.

  10. Zr/ZrO2 sensors for in situ measurement of pH in high-temperature and -pressure aqueous solutions.

    PubMed

    Zhang, R H; Zhang, X T; Hu, S M

    2008-04-15

    The aim of this study is to develop new pH sensors that can be used to test and monitor hydrogen ion activity in hydrothermal conditions. A Zr/ZrO2 oxidation electrode is fabricated for in situ pH measurement of high-temperature aqueous solutions. This sensor responds rapidly and precisely to pH over a wide range of temperature and pressure. The Zr/ZrO2 electrode was made by oxidizing zirconium metal wire with Na2CO3 melt, which produced a thin film of ZrO2 on its surface. Thus, an oxidation-reduction electrode was produced. The Zr/ZrO2 electrode has a good electrochemical stability over a wide range of pH in high-temperature aqueous solutions when used with a Ag/AgCl reference electrode. Measurements of the Zr/ZrO2 sensor potential against a Ag/AgCl reference electrode is shown to vary linearly with pH between temperatures 20 and 200 degrees C. The slope of the potential versus pH at high temperature is slightly below the theoretical value indicated by the Nernst equation; such deviation is attributed to the fact that the sensor is not strictly at equilibrium with the solution to be tested in a short period of time. The Zr/ZrO2 sensor can be calibrated over the conditions that exist in the natural deep-seawater. Our studies showed that the Zr/ZrO2 electrode is a suitable pH sensor for the hydrothermal systems at midocean ridge or other geothermal systems with the high-temperature environment. Yttria-stabilized zirconia sensors have also been used to investigate the pH of hydrothermal fluids in hot springs vents at midocean ridge. These sensors, however, are not sensitive below 200 degrees C. Zr/ZrO2 sensors have wider temperature range and can be severed as good alternative sensors for measuring the pH of hydrothermal fluids.

  11. Noninvasive Imaging of PSMA in prostate tumors with (89)Zr-Labeled huJ591 engineered antibody fragments: the faster alternatives.

    PubMed

    Viola-Villegas, Nerissa Therese; Sevak, Kuntal K; Carlin, Sean D; Doran, Michael G; Evans, Henry W; Bartlett, Derek W; Wu, Anna M; Lewis, Jason S

    2014-11-03

    Engineered antibody fragments offer faster delivery with retained tumor specificity and rapid clearance from nontumor tissues. Here, we demonstrate that positron emission tomography (PET) based detection of prostate specific membrane antigen (PSMA) in prostatic tumor models using engineered bivalent antibodies built on single chain fragments (scFv) derived from the intact antibody, huJ591, offers similar tumor delineating properties but with the advantage of rapid targeting and imaging. (89)Zr-radiolabeled huJ591 scFv (dimeric scFv-CH3; (89)Zr-Mb) and cysteine diabodies (dimeric scFv; (89)Zr-Cys-Db) demonstrated internalization and similar Kds (∼2 nM) compared to (89)Zr-huJ591 in PSMA(+) cells. Tissue distribution assays established the specificities of both (89)Zr-Mb and (89)Zr-Cys-Db for PSMA(+) xenografts (6.2 ± 2.5% ID/g and 10.2 ± 3.4% ID/g at 12 h p.i. respectively), while minimal accumulation in PSMA(-) tumors was observed. From the PET images, (89)Zr-Mb and (89)Zr-Cys-Db exhibited faster blood clearance than the parent huJ591 while tumor-to-muscle ratios for all probes show comparable values across all time points. Ex vivo autoradiography and histology assessed the distribution of the probes within the tumor. Imaging PSMA-expressing prostate tumors with smaller antibody fragments offers rapid tumor accumulation and accelerated clearance; hence, shortened wait periods between tracer administration and high-contrast tumor imaging and lower dose-related toxicity are potentially realized.

  12. High thermal stability of La 2O 3 and CeO 2-stabilized tetragonal ZrO 2

    DOE PAGES

    Wang, Shichao; Xie, Hong; Lin, Yuyuan; ...

    2016-02-15

    Catalyst support materials of tetragonal ZrO 2, stabilized by either La 2O 3 (La 2O 3-ZrO 2) or CeO 2 (CeO 2-ZrO 2), were synthesized under hydrothermal conditions at 200 °C with NH 4OH or tetramethylammonium hydroxide as the mineralizer. From In Situ synchrotron powder X-ray diffraction and small-angle X-ray scattering measurements, the calcined La 2O 3-ZrO 2 and CeO 2-ZrO 2 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 m 2/g. The catalysts Pt/La 2Omore » 3-ZrO 2 and Pt/CeO 2-ZrO 2 were prepared by using atomic layer deposition with varying Pt loadings from 6.3-12.4 wt %. Mono-dispersed Pt nanoparticles of ~3 nm were obtained for these catalysts. As a result, the incorporation of La 2O 3 and CeO 2 into the t-ZrO 2 structure did not affect the nature of the active sites for the Pt/ZrO 2 catalysts for the water-gas-shift (WGS) reaction.« less

  13. Behavior of an improved Zr fuel cladding with oxidation resistant coating under loss-of-coolant accident conditions

    NASA Astrophysics Data System (ADS)

    Park, Dong Jun; Kim, Hyun Gil; Jung, Yang Il; Park, Jung Hwan; Yang, Jae Ho; Koo, Yang Hyun

    2016-12-01

    This study investigates protective coatings for improving the high temperature oxidation resistance of Zr fuel claddings for light water nuclear reactors. FeCrAl alloy and Cr layers were deposited onto Zr plates and tubes using cold spraying. For the FeCrAl/Zr system, a Mo layer was introduced between the FeCrAl coating and the Zr matrix to prevent inter-diffusion at high temperatures. Both the FeCrAl and Cr coatings improved the oxidation resistance compared to that of the uncoated Zr alloy when exposed to a steam environment at 1200 °C. The ballooning behavior and mechanical properties of the coated cladding samples were studied under simulated loss-of-coolant accident conditions. The coated samples showed higher burst temperatures, lower circumferential strain, and smaller rupture openings compared to the uncoated Zr. Although 4-point bend tests of the coated samples showed a small increase in the maximum load, ring compression tests of a sectioned sample showed increased ductility.

  14. Characterization of hot-pressed short ZrO{sub 2} fiber toughened ZrB{sub 2}-based ultra-high temperature ceramics

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Lin, Jia, E-mail: 2013113205@xmut.edu.cn; Huang, Yu; Zhang, Houan

    2014-09-15

    Two different ZrB{sub 2}-based ultra-high temperature ceramics were produced by hot pressing: ZrB{sub 2} + 20 vol.% SiC particle + 15 vol.% ZrO{sub 2} fiber and ZrB{sub 2} + 20 vol.% SiC whisker + 15 vol.% ZrO{sub 2} fiber. The microstructures were analyzed by using transmission electron microscopy and high-resolution transmission electron microscopy. It was shown that a clean interface without any impurities was identified in ZrB{sub 2}-based hybrid ceramics with SiC whiskers and ZrO{sub 2} fibers, which would significantly improve the toughening mechanism. The results of high-resolution transmission electron microscopy showed that stacking faults in SiC whiskers resulted frommore » an insertion of a (111) layer, which would be one of the main reasons for material anisotropy. However, the interface between the SiC particle and ZrO{sub 2} fiber was found to be ambiguous in ZrB{sub 2}-based hybrid ceramics with SiC particles and ZrO{sub 2} fibers due to the slight reaction. The orientation relationship between t-ZrO{sub 2} and m-ZrO{sub 2} phases obeyed the classical correspondence: (100){sub m}//(100){sub t} and [001]{sub m}//〈001〉{sub t}, which further verified the feasibility of phase transformation toughening mechanism. - Highlights: • ZrB{sub 2}-based ceramics toughened by short ZrO{sub 2} fiber are characterized by TEM and HRTEM. • The orientation relationship of t- and m-ZrO{sub 2} are (100){sub m}//(100){sub t}, [001]{sub m}//〈001〉{sub t} • The clean interface without any impurities leads to improve the toughening mechanism.« less

  15. Corrosion behavior and oxide properties of Zr 1.1 wt%Nb 0.05 wt%Cu alloy

    NASA Astrophysics Data System (ADS)

    Park, Jeong-Yong; Choi, Byung-Kwon; Yoo, Seung Jo; Jeong, Yong Hwan

    2006-12-01

    The corrosion behavior and oxide properties of Zr-1.1 wt%Nb-0.05 wt%Cu (ZrNbCu) and Zircaloy-4 have been investigated. The corrosion rate of the ZrNbCu alloy was much lower than that of the Zirclaoy-4 in the 360 °C water and 360 °C PWR-simulating loop condition without a neutron flux and it was increased with an increase of the final annealing temperature from 470 °C to 570 °C. TEM observations revealed that the precipitates in the ZrNbCu were β-Nb and ZrNbFe-precipitate with β-Nb being more frequently observed and that the precipitates were more finely distributed in the ZrNbCu alloy. It was also observed that the oxides of the ZrNbCu and Zircaloy-4 consisted of two and seven layers, respectively, after 1000 days in the PWR-simulating loop condition and that the thickness of a fully-developed layer was higher in the ZrNbCu than in the Zircaloy-4. It was also found that the β-Nb in ZrNbCu was oxidized more slowly when compared to the Zr(Fe, Cr) 2 in Zirclaoy-4 when the precipitates in the oxide were observed by TEM. Cracks were observed in the vicinity of the oxidized Zr(Fe, Cr) 2, while no cracks were formed near β-Nb which had retained a metallic state. From the results obtained, it is suggested that the oxide formed on the ZrNbCu has a more protective nature against a corrosion when compared to that of the Zircaloy-4.

  16. Accelerated recession of a desert cliff due to sewage water disposal, Sede Boqer, Israel

    NASA Astrophysics Data System (ADS)

    Arkin, Yaacov; Karnieli, Arnon; Issar, Arie; Mtz.-Esparza, Javier Diaz

    1986-12-01

    Accelerated erosion of a desert cliff due to uncontrolled sewage water disposal was investigated at the Sede Boqer Campus in the Negev, Israel An erosional cirque formed by this water was studied as a model simulating natural processes. The cliffs consist of loess and conglomerate underlain by soft marl, clay, and chalk. The rate of erosion is of the order of 5% 8% of the volume of water discharged. The rate of incision ranges from 10 2 to 13.3 m/yr and is several orders higher than that expected under normal rainfall conditions The introduction of this new hydrological factor resulted in a severe disturbance of the morphological balance in the vicinity of the cliffs, accelerated erosion, and generated circular slides

  17. Observations of a Cast Cu-Cr-Zr Alloy

    NASA Technical Reports Server (NTRS)

    Ellis, David L.

    2006-01-01

    Prior work has demonstrated that Cu-Cr-Nb alloys have considerable advantages over the copper alloys currently used in regeneratively cooled rocket engine liners. Observations indicated that Zr and Nb have similar chemical properties and form very similar compounds. Glazov and Zakharov et al. reported the presence of Cr2Zr in Cu-Cr-Zr alloys with up to 3.5 wt% Cr and Zr though Zeng et al. calculated that Cr2Zr could not exist in a ternary Cu-Cr-Zr alloy. A cast Cu-6.15 wt% Cr-5.25 wt% Zr alloy was examined to determine if the microstructure developed would be similar to GRCop-84 (Cu-6.65 wt% Cr-5.85 wt% Nb). It was observed that the Cu-Cr-Zr system did not form any Cr2Zr even after a thermal exposure at 875 C for 176.5 h. Instead the alloy consisted of three phases: Cu, Cu5Zr, and Cr.

  18. Fourier Transform IR Spectroscopic Study of Nano-ZrO2 + Nano-SiO2 + Nano-H2O Systems Upon the Action of Gamma Radiation

    NASA Astrophysics Data System (ADS)

    Agayev, T. N.; Gadzhieva, N. N.; Melikova, S. Z.

    2018-05-01

    The radiation decomposition of water in a nano-ZrO2 + nano-SiO2 + H2O system at 300 K by the action of gamma radiation has been studied by Fourier transform IR spectroscopy. Water adsorption in the zirconium and silicon nanooxides is attributed to molecular and dissociative mechanisms. Active intermediates in this radiation-induced heterogeneous decomposition of water were detected including zirconium and silicon hydrides and hydroxyl groups. Variation in the ratio of ZrO2 and SiO2 nanopowders was shown to lead to change in their radiation catalytic activity compared to initial ZrO2.

  19. Ca(5)Zr(3)F(22).

    PubMed

    Oudahmane, Abdelghani; El-Ghozzi, Malika; Avignant, Daniel

    2012-04-01

    Single crystals of Ca(5)Zr(3)F(22), penta-calcium trizirconium docosafluoride, were obtained unexpectedly by solid-state reaction between CaF(2) and ZrF(4) in the presence of AgF. The structure of the title compound is isotypic with that of Sr(5)Zr(3)F(22) and can be described as being composed of layers with composition [Zr(3)F(20)](8-) made up from two different [ZrF(8)](4-) square anti-prisms (one with site symmetry 2) by corner-sharing. The layers extending parallel to the (001) plane are further linked by Ca(2+) cations, forming a three-dimensional network. Amongst the four crystallographically different Ca(2+) ions, three are located on twofold rotation axes. The Ca(2+) ions exhibit coordination numbers ranging from 8 to 12, depending on the cut off, with very distorted fluorine environments. Two of the Ca(2+) ions occupy inter-stices between the layers whereas the other two are located in void spaces of the [Zr(3)F(20)](8-) layer and alternate with the two Zr atoms along [010]. The crystal under investigation was an inversion twin.

  20. Drinking hydrogen water ameliorated cognitive impairment in senescence-accelerated mice.

    PubMed

    Gu, Yeunhwa; Huang, Chien-Sheng; Inoue, Tota; Yamashita, Takenori; Ishida, Torao; Kang, Ki-Mun; Nakao, Atsunori

    2010-05-01

    Hydrogen has been reported to have neuron protective effects due to its antioxidant properties, but the effects of hydrogen on cognitive impairment due to senescence-related brain alterations and the underlying mechanisms have not been characterized. In this study, we investigated the efficacies of drinking hydrogen water for prevention of spatial memory decline and age-related brain alterations using senescence-accelerated prone mouse 8 (SAMP8), which exhibits early aging syndromes including declining learning ability and memory. However, treatment with hydrogen water for 30 days prevented age-related declines in cognitive ability seen in SAMP8 as assessed by a water maze test and was associated with increased brain serotonin levels and elevated serum antioxidant activity. In addition, drinking hydrogen water for 18 weeks inhibited neurodegeneration in hippocampus, while marked loss of neurons was noted in control, aged brains of mice receiving regular water. On the basis of our results, hydrogen water merits further investigation for possible therapeutic/preventative use for age-related cognitive disorders.

  1. Motion of Air Bubbles in Water Subjected to Microgravity Accelerations

    NASA Technical Reports Server (NTRS)

    DeLombard, Richard; Kelly, Eric M.; Hrovat, Kenneth; Nelson, Emily S.; Pettit, Donald R.

    2006-01-01

    The International Space Station (ISS) serves as a platform for microgravity research for the foreseeable future. A microgravity environment is one in which the effects of gravity are drastically reduced which then allows physical experiments to be conducted without the over powering effects of gravity. During his 6-month stay on the ISS, astronaut Donald R. Pettit performed many informal/impromptu science experiments with available equipment. One such experiment focused on the motion of air bubbles in a rectangular container nearly filled with de-ionized water. Bubbles were introduced by shaking and then the container was secured in place for several hours while motion of the bubbles was recorded using time-lapse photography. This paper shows correlation between bubble motion and quasi-steady acceleration levels during one such experiment operation. The quasi-steady acceleration vectors were measured by the Microgravity Acceleration Measurement System (MAMS). Essentially linear motion was observed in the condition considered here. Dr. Pettit also created other conditions which produced linear and circulating motion, which are the subjects of further study. Initial observations of this bubble motion agree with calculations from many microgravity physical science experiments conducted on shuttle microgravity science missions. Many crystal-growth furnaces involve heavy metals and high temperatures in which undesired acceleration-driven convection during solidification can adversely affect the crystal. Presented in this paper will be results showing correlation between bubble motion and the quasi-steady acceleration vector.

  2. Mesoporous ZrO2 fibers with enhanced surface area and the application as recyclable absorbent

    NASA Astrophysics Data System (ADS)

    Yu, Zhichao; Liu, Benxue; Zhou, Haifeng; Feng, Cong; Wang, Xinqiang; Yuan, Kangkang; Gan, Xinzhu; Zhu, Luyi; Zhang, Guanghui; Xu, Dong

    2017-03-01

    Highly crystalline mesoporous zirconia fibers with high surface area have been prepared by the use of electrospinning combined with precursors method. The obtained precursor fibers were treated in water steam and directly in air at different temperature respectively. Compared with the direct calcination in air, the water steam cannot only promote the crystallization of ZrO2 but also effectively remove off the organics and prevent the pore structure collapse. Moreover, through adding hydrochloric acid to modify the solution pH value, the obtained t-ZrO2 fibers treated in water steam at 300 °C have high surface area and large pore volume of 232.70 m2 g-1 and 0.36 cm3 g-1. The formation mechanism of the mesostucture was studied and the schematic was represented. Compared with the previous reports of mesoporous ZrO2 fibers, the as-synthesized materials exhibited the high crystallinity, large surface area and the long-range order mesostructure.The adsorption of Congo red indicates that the samples have a high adsorption capacity of 103.46 mg g-1 and long-periodic repeated availability.

  3. Effects of Welding Parameters on Mechanical Properties in Electron Beam Welded CuCrZr Alloy Plates

    NASA Astrophysics Data System (ADS)

    Jaypuria, Sanjib; Doshi, Nirav; Pratihar, Dilip Kumar

    2018-03-01

    CuCrZr alloys are attractive structural materials for plasma-facing components (PFC) and heat sink element in the International Thermonuclear Experimental Reactor (ITER) fusion reactors. This material has gained so much attention because of its high thermal conductivity and fracture toughness, high resistance to radiation damage and stability at elevated temperatures. The objective of this work is to study the effects of electron beam welding parameters on the mechanical strength of the butt welded CuCrZr joint. Taguchi method is used as the design of experiments to optimize the input parameters, such as accelerating voltage, beam current, welding speed, oscillation amplitude and frequency. The joint strength and ductility are the desired responses, which are measured through ultimate tensile strength and percent elongation, respectively. Accelerating voltage and welding speed are found to have significant influence on the strength. A combination of low amplitude and high-frequency oscillation is suggested for the higher joint strength and ductility. There is a close agreement between Taguchi predicted results and experimental ones. Fractographic analysis of joint and weld zone analysis are carried out to study the failure behaviour and microstructural variation in the weld zone, respectively.

  4. Synthesis of antimicrobial Nisin-phosphorylated soybean protein isolate/poly(L-lactic acid)/ZrO2 membranes.

    PubMed

    Jiang, Suwei; Wang, Hualin; Chu, Chenjiang; Ma, Xingkong; Sun, Min; Jiang, Shaotong

    2015-01-01

    Electrospinning technique was used to fabricate the model drug Nisin loaded phosphorylated soybean protein isolate/poly(l-lactic acid)/zirconium dioxide (Nisin-PSPI/PLLA/ZrO2) nanofibrous membranes. The average diameter of drug carrier PSPI/PLLA/ZrO2 nanofibers increased with the increase of content PSPI and some spindle-shape beads appeared when PSPI content reached 25 wt%. The loading dosage of Nisin caused no significant changes in the size and morphology of nanofibers when Nisin content was below 9 wt%. There existed hydrogen and Zr-O-C bonds among PSPI, PLLA and ZrO2 units, and the crystalline of PLLA matrix decreased owning to the introducing of PSPI and ZrO2 units. Moreover, the water absorption capability and degradation rate of PSPI/PLLA/ZrO2 nanofibrous membranes increased with increasing PSPI content. The antimicrobial activity and release experimental results showed that Nisin-PSPI/PLLA/ZrO2 nanofibrous membranes displayed well controlled release and better antimicrobial activity against Staphylococcus aureus (S. aureus), and the Nisin release from the medicated nanofibers could be described by Fickian diffusion model. The Nisin-PSPI/PLLA/ZrO2 nanofibrous membranes may have potential as a new nanofibrous membrane in drug delivery, food active packaging and wound dressing. Copyright © 2014 Elsevier B.V. All rights reserved.

  5. The characterisation of second phases in the Zr-Nb and Zr-Nb-Sn-Fe alloys: A critical review

    NASA Astrophysics Data System (ADS)

    Harte, Allan; Griffiths, Malcolm; Preuss, Michael

    2018-07-01

    The nature and evolution of the Fe environment in Zr-Nb and Zr-Nb-Sn-Fe systems is essential to alloy performance during corrosion, hardening and irradiation-induced growth. Unfortunately, there is ambiguity in the literature regarding the characterisation of secondary phases in these systems. The presence, or not, of Fe in β-Nb phase has been a source of disagreement. In ternary ZrNbFe intermetallics, identical compositions have been designated as Zr(Nb,Fe)2 or (Zr,Nb)3Fe. We show that while Zr(Nb,Fe)2 is commonly reported, it is not always justified. The cubic phase (Zr,Nb)2Fe is easily identified, but its composition is more variable after low temperature heat treatments. We demonstrate the need for correlative approaches in the assessment of phase composition, crystallography and local Fe environment under different heat treatment regimes. Irradiation effects allow us to draw clues regarding phase designation, but there is diverse behaviour under irradiation due to initial phase composition, irradiation dose rate and temperature.

  6. Zirconium-carbon hybrid sorbent for removal of fluoride from water: oxalic acid mediated Zr(IV) assembly and adsorption mechanism

    PubMed Central

    Halla, Velazquez-Jimenez Litza; Hurt Robert, H; Juan, Matos; Rene, Rangel-Mendez Jose

    2014-01-01

    When activated carbon (AC) is modified with zirconium(IV) by impregnation or precipitation, the fluoride adsorption capacity is typically improved. There is significant potential to improve these hybrid sorbent by controlling the impregnation conditions, which determine the assembly and dispersion of the Zr phases on carbon surfaces. Here, commercial activated carbon was modified with Zr(IV) together with oxalic acid (OA) used to maximize the zirconium dispersion and enhance fluoride adsorption. Adsorption experiments were carried out at pH 7 and 25 °C with a fluoride concentration of 40 mg L−1. The OA/Zr ratio was varied to determine the optimal conditions for subsequent fluoride adsorption. The data was analyzed using the Langmuir and Freundlich isotherm models. FTIR, XPS and the surface charge distribution were performed to elucidate the adsorption mechanism. Potentiometric titrations showed that the modified activated carbon (ZrOx-AC) possesses positive charge at pH lower than 7, and FTIR analysis demonstrated that zirconium ions interact mainly with carboxylic groups on the activated carbon surfaces. Moreover, XPS analysis demonstrated that Zr(IV) interacts with oxalate ions, and the fluoride adsorption mechanism is likely to involve –OH− exchange from zirconyl oxalate complexes. PMID:24359079

  7. Influence of free carbon on the characteristics of ZrC and deposition of near-stoichiometric ZrC in TRISO coated particle fuel

    NASA Astrophysics Data System (ADS)

    Kim, Daejong; Ko, Myeong Jin; Park, Ji Yeon; Cho, Moon Sung; Kim, Weon-Ju

    2014-08-01

    Advanced TRISO coated particles with a ZrC coating layer as a main pressure boundary were fabricated by a fluidized-bed chemical vapor deposition (FBCVD) method using a chloride process. Experiments were performed to determine the effect of codeposition of graphitic carbon on the hardness and obtain the stoichiometric ZrC phase. The ZrC coating layer was composed of a mixture of ZrC and graphitic carbon phases at a low ZrCl4/CH4 ratio. A near-stoichiometric ZrC without the free carbon can be obtained by employing an impeller-driven ZrCl4 vaporizer. The codeposition of the graphitic carbon significantly lowered the hardness of ZrC while increasing the fraction of the carbon. The hardness reached its maximum when ZrC was in a slight carbon deficit without free carbon. As the graphitic carbon increased up to 12 vol%, the hardness was reduced by approximately 50% compared to the near-stoichiometric ZrC.

  8. Pharmacokinetics study of Zr-89-labeled melanin nanoparticle in iron-overload mice.

    PubMed

    Zhang, Pengjun; Yue, Yuanyuan; Pan, Donghui; Yang, Runlin; Xu, Yuping; Wang, Lizhen; Yan, Junjie; Li, Xiaotian; Yang, Min

    2016-09-01

    Melanin, a natural biological pigment present in many organisms, has been found to exhibit multiple functions. An important property of melanin is its ability to chelate metal ions strongly, which might be developed as an iron chelator for iron overload therapy. Herein, we prepared the ultrasmall water-soluble melanin nanoparticle (MP) and firstly evaluate the pharmacokinetics of MP in iron-overload mice to provide scientific basis for treating iron-overload. To study the circulation time and biodistribution, MP was labeled with (89)Zr, a long half-life (78.4h) positron-emitting metal which is suited for the labeling of nanoparticles and large bioactive molecule. MP was chelated with (89)Zr directly at pH5, resulting in non-decay-corrected yield of 89.6% and a radiochemical purity of more than 98%. The specific activity was at least190 MBq/μmol. The (89)Zr-MP was stable in human plasma and PBS for at least 48h. The half-life of (89)Zr-MP was about 15.70±1.74h in iron-overload mice. Biodistribution studies and MicroPET imaging showed that (89)Zr-MP mainly accumulated in liver and spleen, which are the target organ of iron-overload. The results indicate that the melanin nanoparticle is promising for further iron overload therapy. Copyright © 2016 Elsevier Inc. All rights reserved.

  9. Simulation of Zr content in TiZrCuNi brazing filler metal for Ti6Al4V alloy

    NASA Astrophysics Data System (ADS)

    Yue, Xishan; Xie, Zonghong; Jing, Yongjuan

    2017-07-01

    To optimize the Zr content in Ti-based filler metal, the covalent electron on the nearest atoms bond in unit cell ( n A u-v ) with Ti-based BCC structure was calculated, in which the brazing temperature was considered due to its influence on the lattice parameter. Based on EET theory (The Empirical Electron Theory for solid and molecules), n_{{A}}^{{u - v}} represents the strength of the unit cell with defined element composition and structure, which reflects the effect from solid solution strengthening on the strength of the unit cell. For Ti-Zr-15Cu-10Ni wt% filler metal, it kept constant as 0.3476 with Zr as 37.5˜45 wt% and decreased to 0.333 with Zr decreasing from 37.5 to 25 wt%. Finally, it increased up to 0.3406 with Zr as 2˜10 wt%. Thus, Ti-based filler metal with Zr content being 2˜10 wt% is suggested based on the simulation results. Moreover, the calculated covalent electron of n A u-v showed good agreement with the hardness of the joint by filler 37.5Zr and 10Zr. The composition of Ti-10Zr-15Cu-10Ni wt% was verified in this study with higher tensile strength of the brazing joint and uniform microstructure of the interface.

  10. (Zr,Ti)O2 interface structure in ZrO2-TiO2 nanolaminates with ultrathin periodicity

    NASA Astrophysics Data System (ADS)

    Aita, C. R.; DeLoach, J. D.; Yakovlev, V. V.

    2002-07-01

    A mixed cation interfacial structure in ZrO2-TiO2 nanolaminate films with ultrathin bilayer periodicity grown by sputter deposition at 297 K was identified by x-ray diffraction and nonresonant Raman spectroscopy. This structure consists of an amorphous phase at a ZrO2-on-TiO2 bilayer interface, followed by an extensive crystalline monoclinic (Zr,Ti)O2 solid solution predicted by Vegard's law. Monoclinic (Zr,Ti)O2 has previously been reported only once, in bulk powder of a single composition (ZrTiO4) at high pressure. Its stabilization in the nanolaminates is explained by the Gibbs-Thomson effect. This complex interfacial structure is shown to be a means of accommodating chemical mixing in the absence of a driving force for heteroepitaxy.

  11. Characterization of CuCrZr and CuCrZr/SS joint strength for different blanket components manufacturing conditions

    NASA Astrophysics Data System (ADS)

    Gillia, Olivier; Briottet, Laurent; Chu, Isabelle; Lemoine, Patrick; Rigal, Emmanuel; Peacock, Alan

    2009-04-01

    This work describes studies on the strength of CuCrZr/SS joints for different manufacturing conditions foreseen for the fabrication of blanket components. In the meantime, as junction strength is expected to be strongly related to CuCrZr properties, investigation on the properties of the CuCrZr itself after the different manufacturing conditions is also presented. The initial manufacturing conditions retained were made of a HIP treatment combined with a fast cooling plus a subsequent ageing treatment. For security reasons, the HIP-quenching operation was not possible. A supplementary solutionning cycle with fast cooling has thus been inserted in the heat treatment process just after the HIP bonding treatment. The influence of solutionning temperature (1040 °C or 980 °C), the cooling rate after solutionning (70 °C/min to water quench), the ageing temperature (480 °C or 560 °C) and the HIP temperature (1040 °C or 980 °C) have been addressed. Test results show that the ageing temperature is very important for keeping high strength of material whereas elongation properties are not very sensible to the manufacturing conditions. 1040 °C HIP or solutionning temperature gives better strength properties, as well as a higher cooling rate after solutionning. Concerning samples with joints, it appears that CT test is more selective than other tests since tensile test does not give rupture at joint and KCU test eliminates a route without classifying other routes.

  12. Hot Deformation and Dynamic Recrystallization Behavior of the Cu-Cr-Zr-Y Alloy

    NASA Astrophysics Data System (ADS)

    Zhang, Yi; Huili, Sun; Volinsky, Alex A.; Tian, Baohong; Chai, Zhe; Liu, Ping; Liu, Yong

    2016-03-01

    To study the workability and to optimize the hot deformation processing parameters of the Cu-Cr-Zr-Y alloy, the strain hardening effect and dynamic softening behavior of the Cu-Cr-Zr-Y alloy were investigated. The flow stress increases with the strain rate and stress decreases with deformation temperature. The critical conditions, including the critical strain and stress for the occurrence of dynamic recrystallization, were determined based on the alloy strain hardening rate. The critical stress related to the onset of dynamic recrystallization decreases with temperature. The evolution of DRX microstructure strongly depends on the deformation temperature and the strain rate. Dynamic recrystallization appears at high temperatures and low strain rates. The addition of Y can refine the grain and effectively accelerate dynamic recrystallization. Dislocation generation and multiplication are the main hot deformation mechanisms for the alloy. The deformation temperature increase and the strain rate decrease can promote dynamic recrystallization of the alloy.

  13. Changes in the state of iron atoms in Zr alloys during corrosion tests in an autoclave

    NASA Astrophysics Data System (ADS)

    Filippov, V. P.; Bateev, A. B.; Lauer, Yu. A.; Kargin, N. I.; Petrov, V. I.

    2014-04-01

    Mössbauerinvestigations were carried out on oxide films formed on specimens of zirconium alloys Zr-1.0 %wtFe-1.2 %wtSn-0.5 %wtCr subjected to corrosion in steam-water environment at a temperature of 360 °C and at a pressure of 16.8 MPa with lithium and boron additions, and on Zr-1.4 %wtFe-0.7 %wtCr corroded in steam-water environment at 350 °C and 16.8 MPa as well as in steam-water environment at 500 °C and 10 MPa. In the metal part of the samples, under the oxide film, the iron atoms are in form of intermetallic precipitates of Zr(Fe, Cr)2. The corrosion process decomposes the intermetallic precipitates and particles are formed of metallic iron with inclusions of chromium atoms -Fe(Cr), α-Fe2O3 and Fe3O4 compounds. Part of the iron ions are in divalent and part in trivalent paramagnetic states. It is proposed that some part of the iron containing oxide precipitates in the oxide film may be in the form of nanoparticles which pass from the superparamagnetic to the ferromagnetic state with decreasing temperature.

  14. CO Oxidation and Subsequent CO 2 Chemisorption on Alkaline Zirconates: Li 2 ZrO 3 and Na 2 ZrO 3

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Alcántar-Vázquez, Brenda; Duan, Yuhua; Pfeiffer, Heriberto

    Here, two different alkaline zirconates (Li 2ZrO 3 and Na 2ZrO 3) were studied as possible bifunctional catalytic-captor materials for CO oxidation and the subsequent CO 2 chemisorption process. Initially, CO oxidation reactions were analyzed in a catalytic reactor coupled to a gas chromatograph, using Li 2ZrO 3 and Na 2ZrO 3, under different O 2 partial flows. We found results clearly showed that Na 2ZrO 3 possesses much better catalytic properties than Li 2ZrO 3. After the CO-O 2 oxidation catalytic analysis, CO2 chemisorption process was analyzed by thermogravimetric analysis, only for the Na 2ZrO 3 ceramic. The resultsmore » confirmed that Na 2ZrO 3 is able to work as a bifunctional material (CO oxidation and subsequent CO 2 chemisorption), although the kinetic CO 2 capture process was not the best one under the physicochemical condition used in this case. For Na 2ZrO 3, the best CO conversions were found between 445 and 580 °C (100%), while Li 2ZrO 3 only showed a 35% of efficiency between 460 and 503 °C. However, in the Na 2ZrO 3 case, at temperatures higher than 580 °C its catalytic activity gradually decreases as a result of CO 2 capture process. Finally, all these experiments were compared and supported with theoretical thermodynamic data.« less

  15. CO Oxidation and Subsequent CO 2 Chemisorption on Alkaline Zirconates: Li 2 ZrO 3 and Na 2 ZrO 3

    DOE PAGES

    Alcántar-Vázquez, Brenda; Duan, Yuhua; Pfeiffer, Heriberto

    2016-08-26

    Here, two different alkaline zirconates (Li 2ZrO 3 and Na 2ZrO 3) were studied as possible bifunctional catalytic-captor materials for CO oxidation and the subsequent CO 2 chemisorption process. Initially, CO oxidation reactions were analyzed in a catalytic reactor coupled to a gas chromatograph, using Li 2ZrO 3 and Na 2ZrO 3, under different O 2 partial flows. We found results clearly showed that Na 2ZrO 3 possesses much better catalytic properties than Li 2ZrO 3. After the CO-O 2 oxidation catalytic analysis, CO2 chemisorption process was analyzed by thermogravimetric analysis, only for the Na 2ZrO 3 ceramic. The resultsmore » confirmed that Na 2ZrO 3 is able to work as a bifunctional material (CO oxidation and subsequent CO 2 chemisorption), although the kinetic CO 2 capture process was not the best one under the physicochemical condition used in this case. For Na 2ZrO 3, the best CO conversions were found between 445 and 580 °C (100%), while Li 2ZrO 3 only showed a 35% of efficiency between 460 and 503 °C. However, in the Na 2ZrO 3 case, at temperatures higher than 580 °C its catalytic activity gradually decreases as a result of CO 2 capture process. Finally, all these experiments were compared and supported with theoretical thermodynamic data.« less

  16. Structural and Kinetic Hydrogen Sorption Properties of Zr0.8Ti0.2Co Alloy Prepared by Ball Milling

    PubMed Central

    He, Hui; Tang, Tao; Huang, Zhiyong; Sang, Ge; Zhang, Guanghui; Ba, Jingwen; Liu, Meng

    2018-01-01

    The effects of ball milling on the hydrogen sorption kinetics and microstructure of Zr0.8Ti0.2Co have been systematically studied. Kinetic measurements show that the hydrogenation rate and amount of Zr0.8Ti0.2Co decrease with increasing the ball milling time. However, the dehydrogenation rate accelerates as the ball milling time increases. Meanwhile, the disproportionation of Zr0.8Ti0.2Co speeds up after ball milling and the disproportionation kinetics is clearly inclined to be linear with time at 500°C. It is found from X-ray powder diffraction (XRD) results that the lattice parameter of Zr0.8Ti0.2Co gradually decreases from 3.164 Å to 3.153 Å when the ball milling time extends from 0 h to 8 h, which is mainly responsible for the hydrogen absorption/desorption behaviors. In addition, scanning electron microscope (SEM) images demonstrate that the morphology of Zr0.8Ti0.2Co has obviously changed after ball milling, which is closely related to the hydrogen absorption kinetics. Besides, high-resolution transmission electron microscopy (HRTEM) images show that a large number of disordered microstructures including amorphous regions and defects exist after ball milling, which also play an important role in hydrogen sorption performances. This work will provide some insights into the principles of how to further improve the hydrogen sorption kinetics and disproportionation property of Zr0.8Ti0.2Co. PMID:29721128

  17. Measuring the Accelerations of Water Megamasers in Active Galaxy J0437+2456

    NASA Astrophysics Data System (ADS)

    Turner, Jeremy; Jeremy Turner

    2018-01-01

    The Megamaser Cosmology Project is measuring the Hubble constant using observations of 22 GHz water megamasers in the accretion disks of active galaxies within the Hubble flow. This approach uses the dynamics of the megamaser disks to determine their physical sizes and thereby find the angular-diameter distances to galaxies without relying on the cosmic distance ladder. We present Green Bank Telescope observations and analysis of the maser disk in the galaxy J0437+2456, which encircles a 2.9×106 M⊙ supermassive black hole. With spectral monitoring observations spanning over four years, we measure the centripetal acceleration of each individual maser component by tracking its velocity drift over time. These accelerations will be used in later work to model the maser disk and determine the distance to the galaxy. Our acceleration measurements use an iterative least squares fitting technique. For the systemic maser features, we find a mean acceleration of 1.87 ± 0.47 km/s/yr. This project was completed as part of the NSF REU program at NRAO.

  18. Electrical Conductivities of Low-Temperature KCl-ZrCl4 and CsCl-ZrCl4 Molten Mixtures

    NASA Astrophysics Data System (ADS)

    Salyulev, Alexander B.; Potapov, Alexei M.

    2018-02-01

    The electrical conductivities of molten KCl-ZrCl4 and CsCl-ZrCl4 mixtures, including their heterogeneous (melt+crystals) ranges, were measured for the first time. The concentration ranges were 65-72 and 66-75 mol.% of ZrCl4, and the temperature ranges were 482-711 and 548-735 K, respectively. The measurements were carried out in cells of an original design.

  19. First principles calculations of interactions of ZrCl4 precursors with the bare and hydroxylated ZrO2 surfaces

    NASA Astrophysics Data System (ADS)

    Iskandarova, I. M.; Knizhnik, A. A.; Bagatur'yants, A. A.; Potapkin, B. V.; Korkin, A. A.

    2004-05-01

    First-principles calculations have been performed to determine the structures and relative energies of different zirconium chloride groups chemisorbed on the tetragonal ZrO2(001) surface and to study the effects of the surface coverage with metal chloride groups and the degree of hydroxylation on the adsorption energies of metal precursors. It is shown that the molecular and dissociative adsorption energies of the ZrCl4 precursor on the bare t-ZrO2(001) surface are too small to hold ZrCl4 molecules on the surface during an atomic layer deposition (ALD) cycle at temperatures higher than 300°C. On the contrary, it has been found that molecular adsorption on the fully hydroxylated zirconia surface leads to the formation of a stable adsorbed complex. This strong adsorption of ZrCl4 molecules can lead to a decrease in the film growth rate of the ALD process at lower temperatures (<200°C). The energies of interaction between adsorbed ZrCl4 groups at a 50% surface coverage has been found to be relatively small, which explains the maximum film growth rate observed in the ZrCl4:H2O ALD process. Moreover, we found that the adsorbed ZrCl4 precursors after hydrolysis give rise to very stable hydroxyl groups, which can be responsible for film growth at high temperatures (up to 900°C).

  20. Thermal expansion of phosphates with the NaZr2(PO4)3 structure containing lanthanides and zirconium: R 0.33Zr2(PO4)3 ( R = Nd, Eu, Er) and Er0.33(1- x) Zr0.25 x Zr2(PO4)3

    NASA Astrophysics Data System (ADS)

    Volgutov, V. Yu.; Orlova, A. I.

    2015-09-01

    Phosphates R 0.33Zr2(PO4)3 ( R = Nd, Eu, or Er) and Er0.33(1- х)Zr0.25Zr2(PO4)3 ( х = 0, 0.25, 0.5, 0.75, 1.0) of the NaZr2(PO4)3 family have been synthesized and investigated by high-temperature X-ray diffraction. The crystallochemical approach is used to obtain compounds with expected small and controllable thermal-expansion parameters. Phosphates with close-to-zero thermal-expansion parameters, including those with low thermal-expansion anisotropy, have been obtained: Nd0.33Zr2(PO4)3 with α a =-2.21 × 10-6 °С-1, α c = 0.81 × 10-6 °С-1, and Δα = 3.02 × 10-6 °С-1 and Er0.08Zr0.19Zr2(PO4)3 with α a =-1.86 × 10-6 °С-1, α c = 1.73 × 10-6 °С-1, and Δα = 3.58 × 10-6 °С-1.

  1. An infrared band system of the ZrCl molecule

    NASA Astrophysics Data System (ADS)

    Phillips, J. G.; Davis, S. P.; Galehouse, D. C.

    1980-07-01

    A series of infrared bands in the 0.97-1.15 micron region which is attributed to ZrCl is analyzed in light of the possibility that the bands may be observable in stellar spectra. Spectra of ZrO and ZrCl were produced by microwave discharge through a mixture of He, O and ZrCl4 and observed by Fourier transform spectrometer, resulting in the observation of 10 bands of the ZrCl system. Rotational quantum number assignments to the lines of the P and R branches observed are obtained and used to derive effective rotational constants for each substate, as well as zero-rotation origins of each subband. Shifts in wave numbers of rotational lines of the isotopes (Zr-92)(Cl-35)(Zr-94)(Cl-35) and (Zr-90)(Cl-37) relative to the more abundant (Zr-90)(Cl-35) are also observed. The observed molecular constants are shown to be in good agreement with those calculated in previous theoretical estimates.

  2. Selection by current compliance of negative and positive bipolar resistive switching behaviour in ZrO2-x /ZrO2 bilayer memory

    NASA Astrophysics Data System (ADS)

    Huang, Ruomeng; Yan, Xingzhao; Morgan, Katrina A.; Charlton, Martin D. B.; (Kees de Groot, C. H.

    2017-05-01

    We report here a ZrO2-x /ZrO2-based bilayer resistive switching memory with unique properties that enables the selection of the switching mode by applying different electroforming current compliances. Two opposite polarity modes, positive bipolar and negative bipolar, correspond to the switching in the ZrO2 and ZrO2-x layer, respectively. The ZrO2 layer is proved to be responsible for the negative bipolar mode which is also observed in a ZrO2 single layer device. The oxygen deficient ZrO2-x layer plays the dominant role in the positive bipolar mode, which is exclusive to the bilayer memory. A systematic investigation of the ZrO2-x composition in the bilayer memory suggests that ZrO1.8 layer demonstrates optimum switching performance with low switching voltage, narrow switching voltage distribution and good cycling endurance. An excess of oxygen vacancies, beyond this composition, leads to a deterioration of switching properties. The formation and dissolution of the oxygen vacancy filament model has been proposed to explain both polarity switching behaviours and the improved properties in the bilayer positive bipolar mode are attributed to the confined oxygen vacancy filament size within the ZrO2-x layer.

  3. Thermoelectric power of Fe-Zr and Co-Zr metallic glasses

    NASA Astrophysics Data System (ADS)

    From, M.; Muir, W. B.

    1986-03-01

    The thermopower of Fe1-xZrx (0.57Zr and Co-Zr glasses is significantly different from that previously observed in crystalline materials.

  4. The 95Zr(n, γ)96Zr Cross Section from the Surrogate Ratio Method and Its Effect on s-process Nucleosynthesis

    NASA Astrophysics Data System (ADS)

    Yan, S. Q.; Li, Z. H.; Wang, Y. B.; Nishio, K.; Lugaro, M.; Karakas, A. I.; Makii, H.; Mohr, P.; Su, J.; Li, Y. J.; Nishinaka, I.; Hirose, K.; Han, Y. L.; Orlandi, R.; Shen, Y. P.; Guo, B.; Zeng, S.; Lian, G.; Chen, Y. S.; Liu, W. P.

    2017-10-01

    The 95Zr(n, γ)96Zr reaction cross section is crucial in the modeling of s-process nucleosynthesis in asymptotic giant branch stars because it controls the operation of the branching point at the unstable 95Zr and the subsequent production of 96Zr. We have carried out the measurement of the 94Zr(18O, 16O) and 90Zr(18O, 16O) reactions and obtained the γ-decay probability ratio of 96Zr* and 92Zr* to determine the 95Zr(n, γ)96Zr reaction cross sections with the surrogate ratio method. Our deduced Maxwellian-averaged cross section of 66 ± 16 mb at 30 keV is close to the value recommended by Bao et al., but 30% and more than a factor of two larger than the values proposed by Toukan & Käppeler and Lugaro et al., respectively, and routinely used in s-process models. We tested the new rate in stellar models with masses between 2 and 6 M ⊙ and metallicities of 0.014 and 0.03. The largest changes—up to 80% variations in 96Zr—are seen in models of mass 3–4 M ⊙, where the 22Ne neutron source is mildly activated. The new rate can still provide a match to data from meteoritic stardust silicon carbide grains, provided that the maximum mass of the parent stars is below 4 M ⊙, for a metallicity of 0.03.

  5. Phase equilibria, crystal structures, and dielectric anomaly in the BaZrO 3-CaZrO 3 system

    NASA Astrophysics Data System (ADS)

    Levin, Igor; Amos, Tammy G.; Bell, Steven M.; Farber, Leon; Vanderah, Terrell A.; Roth, Robert S.; Toby, Brian H.

    2003-11-01

    Phase equilibria in the (1- x)BaZrO 3- xCaZrO 3 system were analyzed using a combination of X-ray and neutron powder diffraction, and transmission electron microscopy. The proposed phase diagram features two extended two-phase fields containing mixtures of a Ba-rich cubic phase and a tetragonal, or orthorhombic Ca-rich phase, all having perovskite-related structures. The symmetry differences in the Ca-rich phases are caused by different tilting patterns of the [ZrO 6] octahedra. In specimens quenched from 1650°C, CaZrO 3 dissolves only a few percent of Ba, whereas the solubility of Ca in BaZrO 3 is approximately 30 at% . The BaZrO 3-CaZrO 3 system features at least two tilting phase transitions, Pm3 m→ I4/ mcm and I4/ mcm→ Pbnm. Rietveld refinements of the Ba 0.8Ca 0.2ZrO 3 structure using variable-temperature neutron powder diffraction data confirmed that the Pm3 m→ I4/ mcm transition corresponds to a rotation of octahedra about one of the cubic axes; successive octahedra along this axis rotate in opposite directions. In situ variable-temperature electron diffraction studies indicated that the transition temperature increases with increasing Ca-substitution on the A-sites, from approximately -120°C at 5 at% Ca to 225°C at 20 at% Ca. Dielectric measurements revealed that the permittivity increases monotonically from 36 for BaZrO 3 to 53 for Ba 0.9Ca 0.1ZrO 3, and then decreases to 50 for Ba 0.8Ca 0.2ZrO 3. This later specimen was the Ca-richest composition for which pellets could be quenched from the single-phase cubic field with presently available equipment. Strongly non-monotonic behavior was also observed for the temperature coefficient of resonant frequency; however, in this case, the maximum occurred at a lower Ca concentration, 0.05⩽ x⩽0.1. The non-linear behavior of the dielectric properties was attributed to two competing structural effects: a positive effect associated with substitution of relatively small Ca cations on the A-sites, resulting

  6. Optical Properties of Ar Ions Irradiated Nanocrystalline ZrC and ZrN Thin Films

    NASA Technical Reports Server (NTRS)

    Martin, C.; Miller, K. H.; Makino, H.; Craciun, D.; Simeone, D.; Craciun, V.

    2017-01-01

    Thin nanocrystalline ZrC and ZrN films (less than 400 nanometers), grown on (100) Si substrates at a substrate temperature of 500 degrees Centigrade by the pulsed laser deposition (PLD) technique, were irradiated by 800 kiloelectronvolts Ar ion irradiation with fluences from 1 times 10(sup 14) atoms per square centimeter up to 2 times 10(sup 15) atoms per square centimeter. Optical reflectance data, acquired from as-deposited and irradiated films, in the range of 500-50000 per centimeter (0.06–6 electronvolts), was used to assess the effect of irradiation on the optical and electronic properties. Both in ZrC and ZrN films we observed that irradiation affects the optical properties of the films mostly at low frequencies, which is dominated by the free carriers response. In both materials, we found a significant reduction in the free carriers scattering rate, i.e. possible increase in mobility, at higher irradiation flux. This is consistent with our previous findings that irradiation affects the crystallite size and the micro-strain, but it does not induce major structural changes.

  7. Interdiffusion and reaction between U and Zr

    NASA Astrophysics Data System (ADS)

    Park, Y.; Newell, R.; Mehta, A.; Keiser, D. D.; Sohn, Y. H.

    2018-04-01

    The microstructural development and diffusion kinetics were examined for the binary U vs. Zr system using solid-to-solid diffusion couples, U vs. Zr, annealed at 580 °C for 960 h, 650 °C for 480 h, 680 °C for 240 h, and 710 °C for 96 h. Scanning and transmission electron microscopies with X-ray energy dispersive spectroscopy were employed for detailed microstructural and compositional analyses. Interdiffusion and reaction in U vs. Zr diffusion couples primarily produced: δ-UZr2 solid solution (hP3) and α‧-U at 580 °C; and (γU,βZr) solid solution (cI2) and α‧-U at 650°, 680° and 710 °C. The α‧-phase was confirmed as a reduced variant of the α-U orthorhombic structure with lattice parameters, a × b × c = 2.65 × 5.40 × 4.75 (Å) with a negligible solubility for Zr at room temperature. Concentration profiles were examined to determine interdiffusion coefficients, integrated interdiffusion coefficients, and intrinsic diffusion coefficients using Boltzmann-Matano, Wagner, and Heumann analyses, respectively. Composition-dependence of interdiffusion coefficients were documented for α-U, δ-UZr2 (at 580 °C) and (γU,βZr) solid solution (at 650°, 680° and 710 °C). U was determined to intrinsically diffuse faster than Zr, approximately by an order of magnitude, in the δ-UZr2 at 580 °C, and (γU,βZr) phases at 650°, 680° and 710 °C. Based on Darken's approach, thermodynamic data available in literature were coupled to estimate the tracer diffusion coefficients and atomic mobilities of U and Zr.

  8. The development of an estimation model for energy expenditure during water walking by acceleration and walking speed.

    PubMed

    Kaneda, Koichi; Ohgi, Yuji; Tanaka, Chiaki; Burkett, Brendan

    2014-01-01

    The aim of this study was to develop an estimation equation for energy expenditure during water walking based on the acceleration and walking speed. Cross-validation study. Fifty participants, males (n=29, age: 27-73) and females (n=21, age: 33-70) volunteered for this study. Based on their physical condition water walking was conducted at three self-selected walking speeds from a range of: 20, 25, 30, 35 and 40 m/min. Energy expenditure during each trial was calculated. During water walking, an accelerometer was attached to the occipital region and recorded three-dimensional accelerations at 100 Hz. A stopwatch was used for timing the participant's walking speed. The estimation model for energy expenditure included three components; (i) resting metabolic rate, (ii) internal energy expenditure for moving participants' body, and (iii) external energy expenditure due to water drag force. When comparing the measured and estimated energy expenditure with the acceleration data being the third component of the estimation model, high correlation coefficients were found in both male (r=0.73) and female (r=0.77) groups. When walking speeds were applied to the third component of the model, higher correlation coefficients were found (r=0.82 in male and r=0.88 in female). Good agreements of the developed estimation model were found in both methods, regardless of gender. This study developed a valid estimation model for energy expenditure during water walking by using head acceleration and walking speed. Copyright © 2013 Sports Medicine Australia. Published by Elsevier Ltd. All rights reserved.

  9. High temperature investigation of the solid/liquid transition in the PuO2-UO2-ZrO2 system

    NASA Astrophysics Data System (ADS)

    Quaini, A.; Guéneau, C.; Gossé, S.; Sundman, B.; Manara, D.; Smith, A. L.; Bottomley, D.; Lajarge, P.; Ernstberger, M.; Hodaj, F.

    2015-12-01

    The solid/liquid transitions in the quaternary U-Pu-Zr-O system are of great interest for the analysis of core meltdown accidents in Pressurised Water Reactors (PWR) fuelled with uranium-dioxide and MOX. During a severe accident the Zr-based cladding can become completely oxidised due to the interaction with the oxide fuel and the water coolant. In this framework, the present analysis is focused on the pseudo-ternary system UO2-PuO2-ZrO2. The melting/solidification behaviour of five pseudo-ternary and one pseudo-binary ((PuO2)0.50(ZrO2)0.50) compositions have been investigated experimentally by a laser heating method under pre-set atmospheres. The effects of an oxidising or reducing atmosphere on the observed melting/freezing temperatures, as well as the amount of UO2 in the sample, have been clearly identified for the different compositions. The oxygen-to-metal ratio is a key parameter affecting the melting/freezing temperature because of incongruent vaporisation effects. In parallel, a detailed thermodynamic model for the UO2-PuO2-ZrO2 system has been developed using the CALPHAD method, and thermodynamic calculations have been performed to interpret the present laser heating results, as well as the high temperature behaviour of the cubic (Pu,U,Zr)O2±x-c mixed oxide phase. A good agreement was obtained between the calculated and experimental data points. This work enables an improved understanding of the major factors relevant to severe accident in nuclear reactors.

  10. The influence of Zr substitution for Nb on the corrosion behaviors of the Ni-Nb-Zr bulk metallic glasses

    NASA Astrophysics Data System (ADS)

    Li, DengKe; Zhu, ZhengWang; Zhang, HaiFeng; Wang, AiMin; Hu, ZhuangQi

    2012-12-01

    The influence of Zr content on corrosion behaviors of the Ni61.5Nb38.5- x Zr x ( x=1, 3, 5, 7, 9 at.%) bulk metallic glasses (BMGs) in 1 M HCl aqueous solution was investigated by potentiodynamic polarization measurements and X-ray photo-electron spectroscopy (XPS). It was found that these BMG alloys possess superior corrosion resistance, that is, with large passive region of about 1.5 V and low passive current density (as low as 0.05 Am-2 for Ni61.5Nb31.5Zr7). XPS analysis indicates that the high corrosion resistance is attributed to the formation of Nb- and Zr-enriched surface films formed in the aggressive acid solution. The Zr substitution for Nb effectively reduces the Ni content, particularly the metallic state Ni content in the surface films, which depresses the electrical conduction of the surface films and reduces the passive current density, thus leading to the enhancement of the corrosion resistance of these Ni-Nb-Zr BMGs. These alloys may potentially be useful for engineering applications.

  11. Thermophysicochemical Reaction of ZrCo-Hydrogen-Helium System

    NASA Astrophysics Data System (ADS)

    Jung, Kwangjin; Kang, Hee-Seok; Yun, Sei-Hun; Chung, Hongsuk

    2017-11-01

    Nuclear fusion energy, which is clean and infinite, has been studied for more than half a century. Efforts are in progress worldwide for the demonstration and validation of nuclear fusion energy. Korea has been developing hydrogen isotope storage and delivery system (SDS) technologies including a basic scientific study on a hydrogen storage medium. An SDS bed, which is a key component of the SDS, is used for storing hydrogen isotopes in a metal hydride form and supplying them to a tokamak. Thermophysicochemical properties of the ZrCo-H2-He system are investigated for the practical utilization of a hydriding alloy system. The hydriding reaction, in which ZrCoHx is composed as ZrCo absorbing hydrogen, is exothermic. The dehydriding reaction, in which ZrCoHx decomposes into ZrCo and hydrogen, is endothermic. The heat generated through the hydriding reaction interrupts the hydriding progress. The heat loss by a dehydriding reaction impedes the dehydriding progress. The tritium decay product, helium-3, covers the ZrCo and keeps the hydrogen from contact with ZrCo in the SDS bed. In this study, we designed and fabricated a ZrCo bed and its performance test rig. The helium blanketing effect on a ZrCo hydrogen reaction with 0 % to 20 % helium content in a gaseous phase and a helium blanket removal method were studied experimentally. In addition, the volumetric flow rates and temperature at the beginning of a ZrCo hydrogen reaction in a hydrogen or helium atmosphere, and the cooling of the SDS bed by radiation only and by both radiation and natural convection related to the reuse cycle, were obtained.

  12. Ozonation of oil sands process-affected water accelerates microbial bioremediation.

    PubMed

    Martin, Jonathan W; Barri, Thaer; Han, Xiumei; Fedorak, Phillip M; El-Din, Mohamed Gamal; Perez, Leonidas; Scott, Angela C; Jiang, Jason Tiange

    2010-11-01

    Ozonation can degrade toxic naphthenic acids (NAs) in oil sands process-affected water (OSPW), but even after extensive treatment a residual NA fraction remains. Here we hypothesized that mild ozonation would selectively oxidize the most biopersistent NA fraction, thereby accelerating subsequent NA biodegradation and toxicity removal by indigenous microbes. OSPW was ozonated to achieve approximately 50% and 75% NA degradation, and the major ozonation byproducts included oxidized NAs (i.e., hydroxy- or keto-NAs). However, oxidized NAs are already present in untreated OSPW and were shown to be formed during the microbial biodegradation of NAs. Ozonation alone did not affect OSPW toxicity, based on Microtox; however, there was a significant acceleration of toxicity removal in ozonated OSPW following inoculation with native microbes. Furthermore, all residual NAs biodegraded significantly faster in ozonated OSPW. The opposite trend was found for ozonated commercial NAs, which are known to contain no significant biopersistent fraction. Thus, we suggest that ozonation preferentially degraded the most biopersistent OSPW NA fraction, and that ozonation is complementary to the biodegradation capacity of microbial populations in OSPW. The toxicity of ozonated OSPW to higher organisms needs to be assessed, but there is promise that this technique could be applied to accelerate the bioremediation of large volumes of OSPW in Northern Alberta, Canada.

  13. Structure and properties of ZrB2, ZrSiB and ZrAlSiB cathode materials and coatings obtained by their magnetron sputtering

    NASA Astrophysics Data System (ADS)

    Iatsyuk, I. V.; Lemesheva, M. V.; Kiryukhantsev-Korneev, Ph V.; Levashov, E. A.

    2018-04-01

    The ceramic ZrB2, ZrSiB, and ZrAlSiB cathodes were manufactured by means of self-propagating high-temperature synthesis (SHS). The parameters of SHS process including dependence of the combustion temperature and rate on the initial temperature of the reaction mixtures, as well as values of effective activation energy were estimated. Cathodes were subjected to the magnetron sputtering in the argon atmosphere. The structure and properties of cathodes and coatings were studied by means of X-ray diffraction, scanning electron microscopy, energy-dispersive and glow discharge optical emission spectroscopy. Bulk ceramic samples and coatings were characterised in terms of their hardness, elastic modulus, elastic recovery, density, and residual porosity. Results obtained shows that cathodes posses homogeneous structure with low porosity level in range 2-6% and hardness between 10 and 17 GPa. Coatings demonstrate dense defect-free structure and contain nanocrystallites of h-ZrB2 phase. The grain size and hardness decrease from 8 down to 2 nm and from 37 down to 16 GPa with the addition of the silicon and aluminum dopes.

  14. Zr and Hf diffusion in rutile

    NASA Astrophysics Data System (ADS)

    Cherniak, D. J.; Manchester, J.; Watson, E. B.

    2007-09-01

    Chemical diffusion of Zr and Hf under anhydrous conditions has been measured in synthetic and natural rutile. The sources of diffusant used were hafnon or zircon powders or a hafnon-rutile mixture. Experiments were run in crimped Pt capsules in air, or in sealed silica glass capsules with solid buffers (to buffer at NNO or QFM). Rutherford Backscattering Spectrometry (RBS) was used to measure Zr and Hf diffusion profiles. From these measurements, the following Arrhenius relations were obtained: For Zr diffusion parallel to c, over the temperature range 750-1100 °C DZr¦c = 9.8 × 10 - 15 exp(- 170 ± 30 kJ mol - 1 /RT) m 2 s - 1 For Hf diffusion parallel to c, over the temperature range 800-1000 °C DHf¦c = 9.1 × 10 - 15 exp(- 169 ± 36 kJ mol - 1 /RT) m 2 s - 1 For Hf diffusion normal to c, over the temperature range 750-1050 °C DHf⊥c = 2.5 × 10 - 12 exp(- 227 ± 62 kJ mol - 1 /RT) m 2 s - 1 . Diffusivities for experiments buffered at QFM and NNO are similar to those run in air. Diffusivities in synthetic and natural rutile are likewise similar, indicating that these findings can be applied directly in determining Zr diffusivities in rutile in natural systems. These data indicate that rutile should be moderately retentive of Zr chemical signatures, with Zr diffusivities within an order of magnitude of those for Pb in rutile over most geologic conditions. When applied in evaluation of the relative robustness of the recently developed Zr-in-rutile geothermometer [T. Zack, R. Moraes, A. Kronz, Temperature dependence of Zr in rutile: empirical calibration of a rutile thermometer, Contributions to Mineralogy and Petrology 148 (2004) 471-488., E.B. Watson, D.A. Wark, J.B. Thomas, Crystallization thermometers for zircon and rutile, Contributions to Mineralogy and Petrology 151 (2006) 413-433.], these findings suggest that Zr concentrations in rutile will be somewhat more likely to be affected by later thermal disturbance than the geothermometer based on Zr

  15. Microstructural and Textural Differences Induced by Water and Furnace Cooling in Commercially Pure Zr Annealed in the α + β Region

    NASA Astrophysics Data System (ADS)

    Chai, Linjiang; Wang, Tingting; Ren, Yi; Song, Bo; Guo, Ning; Chen, Liangyu

    2018-03-01

    In this work, a commercially pure Zr sheet with a typical bimodal basal texture was annealed in an α + β region and then subjected to different coolings (in water and furnace). Microstructures and textures of both the as-received and the heat-treated specimens were investigated by electron channeling contrast imaging and electron backscatter diffraction techniques. Results show that a duplex microstructure consisting of untransformed bulk α grains and twinned martensitic plates is produced in the water-cooled specimen, which possesses a weakened texture compared to the initial one. For the specimen cooled in furnace, however, a uniform microstructure fully comprised of coarser equiaxed grains with a strengthened texture is obtained. Analyses reveal that the rapid cooling in water could suppress variant selection behaviors during β → α transformation and allow α plates with scattered orientations to be nucleated inside β phases, contributing to the weakened texture. In contrast, during slow cooling in furnace, β boundaries would act as preferred nucleation sites of α embryos, resulting in a strong variant selection that accounts for the intensified texture.

  16. Microstructural and Textural Differences Induced by Water and Furnace Cooling in Commercially Pure Zr Annealed in the α + β Region

    NASA Astrophysics Data System (ADS)

    Chai, Linjiang; Wang, Tingting; Ren, Yi; Song, Bo; Guo, Ning; Chen, Liangyu

    2018-07-01

    In this work, a commercially pure Zr sheet with a typical bimodal basal texture was annealed in an α + β region and then subjected to different coolings (in water and furnace). Microstructures and textures of both the as-received and the heat-treated specimens were investigated by electron channeling contrast imaging and electron backscatter diffraction techniques. Results show that a duplex microstructure consisting of untransformed bulk α grains and twinned martensitic plates is produced in the water-cooled specimen, which possesses a weakened texture compared to the initial one. For the specimen cooled in furnace, however, a uniform microstructure fully comprised of coarser equiaxed grains with a strengthened texture is obtained. Analyses reveal that the rapid cooling in water could suppress variant selection behaviors during β → α transformation and allow α plates with scattered orientations to be nucleated inside β phases, contributing to the weakened texture. In contrast, during slow cooling in furnace, β boundaries would act as preferred nucleation sites of α embryos, resulting in a strong variant selection that accounts for the intensified texture.

  17. Lattice Thermal Conductivity of Ultra High Temperature Ceramics (UHTC) ZrB2 and HfB2 from Atomistic Simulations

    NASA Technical Reports Server (NTRS)

    Lawson, John W.; Daw, Murray S.; Bauschlicher, Charles W.

    2012-01-01

    Ultra high temperature ceramics (UHTC) including ZrB2 and HfB2 have a number of properties that make them attractive for applications in extreme environments. One such property is their high thermal conductivity. Computational modeling of these materials will facilitate understanding of fundamental mechanisms, elucidate structure-property relationships, and ultimately accelerate the materials design cycle. Progress in computational modeling of UHTCs however has been limited in part due to the absence of suitable interatomic potentials. Recently, we developed Tersoff style parameterizations of such potentials for both ZrB2 and HfB2 appropriate for atomistic simulations. As an application, Green-Kubo molecular dynamics simulations were performed to evaluate the lattice thermal conductivity for single crystals of ZrB2 and HfB2. The atomic mass difference in these binary compounds leads to oscillations in the time correlation function of the heat current, in contrast to the more typical monotonic decay seen in monoatomic materials such as Silicon, for example. Results at room temperature and at elevated temperatures will be reported.

  18. Investigation of mechanism and critical parameters for removal of arsenic from water using Zr-TiO2 composite.

    PubMed

    Anđelković, I; Amaizah, N R R; Marković, S B; Stanković, D; Marković, M; Kuzmanović, D; Roglić, G

    2017-09-01

    Using the microwave-hydrothermal method for the synthesis of composite, high surface density of hydroxyl groups, as an active adsorption sites for arsenic, was obtained. Adsorption mechanisms of As(III) and As(V) onto zirconium-doped titanium dioxide (Zr-TiO 2 ) were investigated and proposed using macroscopic and microscopic methods. Obtained results are suggesting inner-sphere and outer-sphere adsorption mechanisms for As(III) and As(V), respectively. This allowed us to identify parameters that are critical for the successful removal of arsenic from water, which is essential information for further optimization of the removal process. The composite was further applied for the removal of As(III) and As(V) from water in a dynamic flow through the reactor. Column study proved that the removal of both arsenic species below the value recommended by WHO can be achieved. Elution of As(III) and As(V) from the composite can be done by using small amounts of 0.01 M NaOH solution resulting in preconcentration of arsenic species and possible multiple usage of composite.

  19. Chemical vapor transport of layer structured crystal β-ZrNCl

    NASA Astrophysics Data System (ADS)

    Ohashi, M.; Yamanaka, S.; Hattori, M.

    1988-12-01

    A layer structured compound β-ZrNCl is transported to a higher temperature zone with the aid of ammonium chloride as the transporting agent in the temperature range of 823-1173 K. The transport mechanism can be explained by the formation of a volatile compound (NH 4) 2ZrCl 6: β- ZrNCl+5 NH4Cl→( NH4) 2ZrCl6+4 NH3. The measurements of the vapor pressure and the mass spectrum revealed that (NH 4) 2ZrCl 6 decomposed congruently according to the equation: ( NH4) 2ZrCl6( s)→ ZrCl4( g)+2 NH3( g)+2 HCl( g) The enthalpy change for the decomposition was determined to be 533 kJ/mol. By combining the above two equations, a simplified transport equation is derived: β- ZrNCl( s)+3 HCl( g)⇌ ZrCl4( g+ NH3( g) .

  20. Interaction of Au with thin ZrO2 films: influence of ZrO2 morphology on the adsorption and thermal stability of Au nanoparticles.

    PubMed

    Pan, Yonghe; Gao, Yan; Kong, Dandan; Wang, Guodong; Hou, Jianbo; Hu, Shanwei; Pan, Haibin; Zhu, Junfa

    2012-04-10

    The model catalysts of ZrO(2)-supported Au nanoparticles have been prepared by deposition of Au atoms onto the surfaces of thin ZrO(2) films with different morphologies. The adsorption and thermal stability of Au nanoparticles on thin ZrO(2) films have been investigated using synchrotron radiation photoemission spectroscopy (SRPES) and X-ray photoelectron spectroscopy (XPS). The thin ZrO(2) films were prepared by two different methods, giving rise to different morphologies. The first method utilized wet chemical impregnation to synthesize the thin ZrO(2) film through the procedure of first spin-coating a zirconium ethoxide (Zr(OC(2)H(5))(4)) precursor onto a SiO(2)/Si(100) substrate at room temperature followed by calcination at 773 K for 12 h. Scanning electron microscopy (SEM) investigations indicate that highly porous "sponge-like nanostructures" were obtained in this case. The second method was epitaxial growth of a ZrO(2)(111) film through vacuum evaporation of Zr metal onto Pt(111) in 1 × 10(-6) Torr of oxygen at 550 K followed by annealing at 1000 K. The structural analysis with low energy electron diffraction (LEED) of this film exhibits good long-range ordering. It has been found that Au forms smaller particles on the porous ZrO(2) film as compared to those on the ordered ZrO(2)(111) film at a given coverage. Thermal annealing experiments demonstrate that Au particles are more thermally stable on the porous ZrO(2) surface than on the ZrO(2)(111) surface, although on both surfaces, Au particles experience significant sintering at elevated temperatures. In addition, by annealing the surfaces to 1100 K, Au particles desorb completely from ZrO(2)(111) but not from porous ZrO(2). The enhanced thermal stability for Au on porous ZrO(2) can be attributed to the stronger interaction of the adsorbed Au with the defects and the hindered migration or coalescence resulting from the porous structures. © 2012 American Chemical Society

  1. Calculation and synthesis of ZrC by CVD from ZrCl4-C3H6-H2-Ar system with high H2 percentage

    NASA Astrophysics Data System (ADS)

    Zhu, Yan; Cheng, Laifei; Ma, Baisheng; Gao, Shuang; Feng, Wei; Liu, Yongsheng; Zhang, Litong

    2015-03-01

    A thermodynamic calculation about the synthesis of ZrC from the ZrCl4-C3H6-H2-Ar system with high percentage of H2 was performed using the FactSage thermochemical software. According to the calculation, ZrC coating was synthesized on graphite substrates and carbon fibers by a low pressure chemical vapor deposition (LPCVD) process, and growth rate of the ZrC coating as a function of temperature was investigated. The surface diagrams of condensed-phases in this system were expressed as the functions of the deposition temperature, total pressure and reactant ratios of ZrCl4/(ZrCl4 + C3H6), H2/(ZrCl4 + C3H6), and the yield of the products was determined by the diagrams. A smooth and dense ZrC coating could be synthesized under the instruction of the calculated parameters. The morphologies of the ZrC coatings were significantly affected by temperature and gases flux. The deposition temperature is much lower than that from the ZrCl4-CH4-H2-Ar system.

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

    NASA Astrophysics Data System (ADS)

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

    2016-03-01

    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-centered 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.

  3. Characterization and Evaluation of Ti-Zr-V Non-evaporable Getter Films Used in Vacuum Systems

    NASA Astrophysics Data System (ADS)

    Ferreira, M. J.; Seraphim, R. M.; Ramirez, A. J.; Tabacniks, M. H.; Nascente, P. A. P.

    Among several methods used to obtain ultra-high vacuum (UHV) for particles accelerators chambers, it stands out the internal coating with metallic films capable of absorbing gases, called NEG (non-evaporable getter). Usually these materials are constituted by elements of great chemical reactivity and solubility (such as Ti, Zr, and V), at room temperature for oxygen and other gases typically found in UHV, such as H2, CO, and CO2. Gold and ternary Ti-Zr-V films were produced by magnetron sputtering, and their composition, structure, morphology, and aging characteristics were characterized by energy-dispersive X-ray spectroscopy (EDS), X-ray photoelectron spectroscopy (XPS), X-ray diffraction (XRD), field emission gun sc anning electronmicroscopy (FEG-SEM), atomic force microscopy (AFM), high resolution transmission electron microscopy (HRTEM). The comparison between the produced films and commercial samples indicated that the desirable characteristics depend on the nanometric structure of the films and that this structure is sensitive to the heat treatments.

  4. Urbanization accelerates long-term salinization and alkalinization of fresh water

    NASA Astrophysics Data System (ADS)

    Kaushal, S.; Duan, S.; Doody, T.; Haq, S.; Smith, R. M.; Newcomer Johnson, T. A.; Delaney Newcomb, K.; Gorman, J. K.; Bowman, N.; Mayer, P. M.; Wood, K. L.; Belt, K.; Stack, W.

    2017-12-01

    Human dominated land-use increases transport a major ions in streams due to anthropogenic salts and accelerated weathering. We show long-term trends in calcium, magnesium, sodium, alkalinity, and hardness over 50 years in the Baltimore metropolitan region and elsewhere. We also examine how major ion concentrations have increased significantly with impervious surface cover in watersheds across land use. Base cations show strong relationships with acid anions, which illustrates the coupling of major biogeochemical cycles in urban watersheds over time. Longitudinal patterns in major ions can also show increasing trends from headwaters to coastal waters, which suggests coupled biogeochemical cycles over space. We present new results from manipulative experiments and long-term monitoring across different urban regions regarding patterns and processes of salinization and alkalinization. Overall, our work demonstrates that urbanization dramatically increases major ions, ionic strength, and pH over decades from headwaters to coastal waters, which impacts the integrity of aquatic life, infrastructure, drinking water, and coastal ocean alkalinization.

  5. Synergistic effect of PANI-ZrO2 composite as antibacterial, anti-corrosion, and phosphate adsorbent material: synthesis, characterization and applications.

    PubMed

    Masim, Frances Camille P; Tsai, Cheng-Hsien; Lin, Yi-Feng; Fu, Ming-Lai; Liu, Minghua; Kang, Fei; Wang, Ya-Fen

    2017-11-03

    The increasing number of bacteria-related problems and presence of trace amounts of phosphate in treated wastewater effluents have become a growing concern in environmental research. The use of antibacterial agents and phosphate adsorbents for the treatment of wastewater effluents is of great importance. In this study, the potential applications of a synthesized polyaniline (PANI)-zirconium dioxide (ZrO 2 ) composite as an antibacterial, phosphate adsorbent and anti-corrosion material were systematically investigated. The results of an antibacterial test reveal an effective area of inhibition of 14 and 18 mm for the Escherichia coli and Staphylococcus aureus bacterial strains, respectively. The antibacterial efficiency of the PANI-ZrO 2 composite is twice that of commercial ZrO 2 . In particular, the introduction of PANI increased the specific surface area and roughness of the composite material, which was beneficial to increase the contact area with bacterial and phosphate. The experimental results demonstrated that phosphate adsorption studies using 200 mg P/L phosphate solution showed a significant phosphate removal efficiency of 64.4%, and the maximum adsorption capacity of phosphate on the solid surface of PANI-ZrO 2 is 32.4 mg P/g. Furthermore, PANI-ZrO 2 coated on iron substrate was tested for anti-corrosion studies by a natural salt spray test (7.5% NaCl), which resulted in the formation of no rust. To the best of our knowledge, no works have been reported on the synergistic effects of the PANI-ZrO 2 composite as an antibacterial, anti-corrosion, and phosphate adsorbent material. PANI-ZrO 2 composite is expected to be a promising comprehensive treatment method for water filters in the aquaculture industry and for use in water purification applications.

  6. Effects of hydroxyapatite/Zr and bioglass/Zr coatings on morphology and corrosion behaviour of Rex-734 alloy.

    PubMed

    Say, Y; Aksakal, B

    2016-06-01

    To improve corrosion resistance of metallic implant surfaces, Rex-734 alloy was coated with two different bio-ceramics; single-Hydroxyapatite (HA), double-HA/Zirconia(Zr) and double-Bioglass (BG)/Zr by using sol-gel method. Porous surface morphologies at low crack density were obtained after coating and sintering processes. Corrosion characteristics of coatings were determined by Open circuit potential and Potentiodynamic polarization measurements during corrosion tests. Hardness and adhesion strength of coating layers were measured and their surface morphologies before and after corrosion were characterized by scanning electron microscope (SEM), XRD and EDX. Through the SEM analysis, it was observed that corrosion caused degradation and sphere-like formations appeared with dimples on the coated surfaces. The coated substrates that exhibit high crack density, the corrosion was more effective by disturbing and transmitting through the coating layer, produced CrO3 and Cr3O8 oxide formation. It was found that the addition of Zr provided an increase in adhesion strength and corrosion resistance of the coatings. However, BG/Zr coatings had lower adhesion strength than the HA/Zr coatings, but showed higher corrosion resistance.

  7. Energy Harvesting Characteristics from Water Flow by Piezoelectric Energy Harvester Device Using Cr/Nb Doped Pb(Zr,Ti)O3 Bimorph Cantilever

    NASA Astrophysics Data System (ADS)

    Kim, Kyoung-Bum; Kim, Chang Il; Jeong, Young Hun; Cho, Jeong-Ho; Paik, Jong-Hoo; Nahm, Sahn; Lim, Jong Bong; Seong, Tae-Hyeon

    2013-10-01

    A water flow energy harvester, which can convert water flow energy to electric energy, was fabricated for its application to rivers. This harvester can generate power from the bending and releasing motion of piezoelectric bimorph cantilevers. A Pb(Zr0.54Ti0.46)O3 + 0.2 wt % Cr2O3 + 1.0 wt % Nb2O5 (PZT-CN) thick film and a 250-µm-thick stainless steel were used as a bimorph cantilever. The electrical impedance matching was achieved across a resistive load of 1 kΩ. Four bimorph cantilevers can generate power from 5 to 105 rpm. The output powers were steadily increased by increasing the rpm. The maximum output power was 68 mW by 105 rpm. It was found that the water flow energy harvester can generate 58 mW by a flow velocity of (2 m/s) from the stream with the four bimorph cantilevers.

  8. Ferroelectricity in Pb 1+δZrO 3 Thin Films

    DOE PAGES

    Gao, Ran; Reyes-Lillo, Sebastian E.; Xu, Ruijuan; ...

    2017-07-16

    Antiferroelectric PbZrO 3 is being considered for a wide range of applications where the competition between centrosymmetric and noncentrosymmetric phases is important to the response. Here, we focus on the epitaxial growth of PbZrO 3 thin films and understanding the chemistry structure coupling in Pb 1+δ ZrO 3 (δ = 0, 0.1, 0.2). High-quality, single-phase Pb 1+δZrO 3 films are synthesized via pulsed-laser deposition. Though no significant lattice parameter change is observed in X-ray studies, electrical characterization reveals that while the PbZrO 3 and Pb 1.1ZrO 3 heterostructures remain intrinsically antiferroelectric, the Pb 1.2ZrO 3 heterostructures exhibit a hysteresis loopmore » indicative of ferroelectric response. Furthermore X-ray scattering studies reveal strong quarter-order diffraction peaks in PbZrO 3 and Pb 1.1ZrO 3 heterostructures indicative of antiferroelectricity, while no such peaks are observed for Pb 1.2ZrO 3 heterostructures. Density functional theory calculations suggest the large cation nonstoichiometry is accommodated by incorporation of antisite Pb-Zr defects, which drive the Pb 1.2ZrO 3 heterostructures to a ferroelectric phase with R3c symmetry. In the end, stabilization of metastable phases in materials via chemical nonstoichiometry and defect engineering enables a novel route to manipulate the energy of the ground state of materials and the corresponding material properties.« less

  9. Preparation of ZrO II/nano-TiO II composite powder by sol-gel method

    NASA Astrophysics Data System (ADS)

    Baharvandi, H. R.; Mohammadi, E.; Abdizadeh, H.; Hadian, A. M.; Ehsani, N.

    2007-07-01

    The effects of concentration of TTIP, amount of distilled water, and calcination temperature on morphology and particle size distribution of ZrO II/nano-TiO II catalysts were investigated. Mixed ZrO II/nano-TiO II powders were prepared by a modified sol-gel method by varying the mole fraction of TTIP from 0.002 to 0.01, H IIO/TTIP fraction from 2 to 8, and various stirring time (2, 4, and 10 h). The prepared ZrO II/nano-TiO II powders have been characterized by scanning electron microscopy (SEM), X-ray diffraction (XRD), and TG/DTA. Each oxide was calcined at the temperature between 110 and 1000°C. The results showed that the calcinations temperature has a pronounced effect on the phase formation and particle size of the calcined zirconium titanate (ZT) powders.

  10. Influence of ZrO2 addition on the microstructure and discharge properties of Mg-Zr-O protective layers in alternating current plasma display panels

    NASA Astrophysics Data System (ADS)

    Guo, Bingang; Liu, Chunliang; Song, Zhongxiao; Liu, Liu; Fan, Yufeng; Xia, Xing; Fan, Duowang

    2005-08-01

    Mg-Zr-O protective layers for alternating current plasma display panels were deposited by e-beam evaporation. The effect of the ZrO2 addition on both the discharge properties [firing voltage Vf, minimum sustaining voltage Vs, and memory coefficient (MC)] and the microstructure of deposited Mg-Zr-O films were investigated. The results show that the film microstructure changes and the electron emission enhancement due to the ZrO2 addition are the main reasons for the improvements of the discharge properties of Mg-Zr-O films. A small amount of Zr solution in MgO under its solid solubility can effectively increase the outer-shell valence electron emission yield so as to decrease Vf and Vs compared with using a pure MgO protective layer. The ZrO2/(MgO +ZrO2) ratio has a great effect on the film surface conditions. Proper surface morphologies make a good contribution to obtain large MC in accordance with lower firing voltage.

  11. THERMODYNAMIC PROPERTIES OF Zr AND Hf HALIDES (in Rumanian)

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Lungu, S.N.

    1962-01-01

    The following standard heats of formation were found: ZrCl/sub 3/, 178.6 plus or minus 3.2; ZrCl/sub 2/, 124.3 plus or minus 3; ZrBr/sub 3/, 151 plus or minus 7; Zr Br/sbu 2/, 100 plus or minus 6; ZrI/sub 3/, 103 plus or minus 6; ZrI/sub 2/, 68 plus or minus 4; and HfCl/sub 4/, 239.4 plus or minus 5.5; HfCl/sub 3/, 186.6; HfCl/sub 2/, 130; HfBr/sub 4/, 200; HfBr/sub 3/, 157; HfBr / sub 2/, 108; HfI/sub 4/, 140; HfI/sub 3/, 113; and HfI/sub 2/, 72 kcal/mole. (R.V.J.)

  12. Effect of the ZrCl4 concentration in the (NaCl-KCl)eqiv-UO2Cl2-ZrCl4 melt and the electrolysis current density on the quantitative composition of UO2-ZrO2 cathode deposits. Calculation and experiment

    NASA Astrophysics Data System (ADS)

    Krotov, V. E.; Filatov, E. C.

    2014-08-01

    A method is proposed for calculating the ZrO2 content in the (NaCl-KCl)eqiv-UO2Cl2-ZrCl4 melt. Based on the known composition of a UO2-ZrO2 cathode deposit, the content is calculated at current densities of 0.08-0.63 A/cm2 and ZrCl4 concentrations of 0-12.3 wt %. The calculated and experimental ZrO2 contents in UO2-ZrO2 cathode deposits are in qualitative and adequate quantitative agreement.

  13. Ab initio molecular dynamics simulations of short-range order in Zr 50Cu 45Al 5 and Cu 50Zr 45Al 5 metallic glasses

    DOE PAGES

    Huang, Yuxiang; Huang, Li; Wang, C. Z.; ...

    2016-02-01

    Comparative analysis between Zr-rich Zr 50Cu 45Al 5 and Cu-rich Cu 50Zr 45Al 5 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 Zr 50Cu 45Al 5 and Cu 50Zr 45Al 5 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 , are prominent. And the < 0,2,8,2 > polyhedra in Cu 50Zr 45Al 5 MG mainly originate from Al-centered clusters, while the < 0,0,12,0 > in Zr 50Cu 45Al 5 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. Lastly, 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 Zr 50Cu 45Al 5.« less

  14. Optical and structural characterization of Nb, Zr, Nb/Zr, Zr/Nb thin films on Si3N4 membranes windows

    NASA Astrophysics Data System (ADS)

    Jimenez, K.; Gaballah, A. E. H.; Ahmed, Nadeem; Zuppella, P.; Nicolosi, P.

    2017-05-01

    High brilliance sources in the EUV spectral range such as Synchrotron and Free Electron Lasers (FEL) are widely used in multiple scientific and technological applications thanks to their peculiar characteristics. One main technical problem of FEL is related to the rejection of high harmonics, seed laser, first stage photons, and diffuse light; in order to improve the quality of the beam delivered by these sources, a suitable optical system acting as band-pass filters is necessary. In this paper we discuss the optical and structure characterization of Nb/Zr and Zr/Nb self-stand transmittance filters, designed for 4.5 nm-20 nm wavelength ranges. In order to understand the properties of these bilayers filters, a campaign of measurements has been planned to be performed on Zr and Nb films on Si3N4 membrane windows and silicon substrates, deposited with e- beam deposition technique. Comparison of the results has been planned too. IMD transmittance and reflectance simulations, together with preliminary AFM and reflectance measurements will be shown in this work.

  15. Electrochemical studies on zirconium and its biocompatible alloys Ti-50Zr at.% and Zr-2.5Nb wt.% in simulated physiologic media.

    PubMed

    Oliveira, Nilson T C; Biaggio, Sonia R; Rocha-Filho, Romeu C; Bocchi, Nerilso

    2005-09-01

    Different electrochemical studies were carried out for Zr and its biocompatible alloys Ti-50Zr at.% and Zr-2.5Nb wt.% in solutions simulating physiologic media, Ringer and PBS (phosphate buffered saline) solutions. The results from rest-potential measurements showed that the three materials are spontaneously passivated in both solutions and that the Ti-50Zr alloy has the greatest tendency for spontaneous oxide formation. Some corrosion parameters (such as the pitting and repassivation potentials) were obtained via cyclic voltammetry in both solutions, revealing that the Ti-50Zr has the best corrosion protection while Zr has the worst. On the other hand, the pre-anodization (up to 8 V vs. SCE) of the alloys in a 0.15 mol/L Na2SO4 solution led to a significant improvement in their protection against pitting corrosion when exposed to the Ringer solution. Elemental analyses by EDX showed that during pitting corrosion, there is no preferential corrosion of any of the alloying elements (Zr, Ti, Nb). Copyright (c) 2005 Wiley Periodicals, Inc.

  16. Exceptional arsenic (III,V) removal performance of highly porous, nanostructured ZrO2 spheres for fixed bed reactors and the full-scale system modeling.

    PubMed

    Cui, Hang; Su, Yu; Li, Qi; Gao, Shian; Shang, Jian Ku

    2013-10-15

    Highly porous, nanostructured zirconium oxide spheres were fabricated from ZrO2 nanoparticles with the assistance of agar powder to form spheres with size at millimeter level followed with a heat treatment at 450 °C to remove agar network, which provided a simple, low-cost, and safe process for the synthesis of ZrO2 spheres. These ZrO2 spheres had a dual-pore structure, in which interconnected macropores were beneficial for liquid transport and the mesopores could largely increase their surface area (about 98 m(2)/g) for effective contact with arsenic species in water. These ZrO2 spheres demonstrated an even better arsenic removal performance on both As(III) and As(V) than ZrO2 nanoparticles, and could be readily applied to commonly used fixed-bed adsorption reactors in the industry. A short bed adsorbent test was conducted to validate the calculated external mass transport coefficient and the pore diffusion coefficient. The performance of full-scale fixed bed systems with these ZrO2 spheres as the adsorber was estimated by the validated pore surface diffusion modeling. With the empty bed contact time (EBCT) at 10 min and the initial arsenic concentration at 30 ppb, the number of bed volumes that could be treated by these dry ZrO2 spheres reached ~255,000 BVs and ~271,000 BVs for As(III) and As(V), respectively, until the maximum contaminant level of 10 ppb was reached. These ZrO2 spheres are non-toxic, highly stable, and resistant to acid and alkali, have a high arsenic adsorption capacity, and could be easily adapted for various arsenic removal apparatus. Thus, these ZrO2 spheres may have a promising potential for their application in water treatment practice. Copyright © 2013 Elsevier Ltd. All rights reserved.

  17. Silica-gel Particles Loaded with an Ionic Liquid for Separation of Zr(IV) Prior to Its Determination by ICP-OES.

    PubMed

    Marwani, Hadi M; Alsafrani, Amjad E; Asiri, Abdullah M; Rahman, Mohammed M

    2016-06-29

    A new ionic liquid loaded silica gel amine (SG-APTMS-N,N-EPANTf₂) was developed, as an adsorptive material, for selective adsorption and determination of zirconium, Zr(IV), without the need for a chelating intermediate. Based on a selectivity study, the SG-APTMS-N,N-EPANTf₂ phase showed a perfect selectivity towards Zr(IV) at pH 4 as compared to other metallic ions, including gold [Au(III)], copper [Cu(II)], cobalt [Co(II)], chromium [Cr(III)], lead [Pb(II)], selenium [Se(IV)] and mercury [Hg(II)] ions. The influence of pH, Zr(IV) concentration, contact time and interfering ions on SG-APTMS-N,N-EPANTf₂ uptake for Zr(IV) was evaluated. The presence of incorporated donor atoms in newly synthesized SG-APTMS-N,N-EPANTf₂ phase played a significant role in enhancing its uptake capacity of Zr(IV) by 78.64% in contrast to silica gel (activated). The equilibrium and kinetic information of Zr(IV) adsorption onto SG-APTMS-N,N-EPANTf₂ were best expressed by Langmuir and pseudo second-order kinetic models, respectively. General co-existing cations did not interfere with the extraction and detection of Zr(IV). Finally, the analytical efficiency of the newly developed method was also confirmed by implementing it for the determination of Zr(IV) in several water samples.

  18. A simple thick target for production of 89Zr using an 11MeV cyclotron

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Link, Jeanne M.; Krohn, Kenneth A.; O'Hara, Matthew J.

    2017-04-01

    The growing interest but limited availability of 89Zr for PET led us to test targets for the 89(p,n) reaction. The goal was an easily constructed target for an 11 MeV Siements cyclotron. Yttrium foils were tested at different thicknesses, angles and currents. A 90 degree foil tolerated 41 microAmp without damage and produced ~800 MBq/hr, >20 mCi, an amount adequate for radiochemistry research and human doses in a widely available accelerator. This method should translate to higher energy cyclotrons.

  19. Initial experimental evaluation of crud-resistant materials for light water reactors

    NASA Astrophysics Data System (ADS)

    Dumnernchanvanit, I.; Zhang, N. Q.; Robertson, S.; Delmore, A.; Carlson, M. B.; Hussey, D.; Short, M. P.

    2018-01-01

    The buildup of fouling deposits on nuclear fuel rods, known as crud, continues to challenge the worldwide fleet of light water reactors (LWRs). Crud causes serious operational problems for LWRs, including axial power shifts, accelerated fuel clad corrosion, increased primary circuit radiation dose rates, and in some instances has led directly to fuel failure. Numerous studies continue to attempt to model and predict the effects of crud, but each assumes that it will always be present. In this study, we report on the development of crud-resistant materials as fuel cladding coatings, to reduce or eliminate these problems altogether. Integrated loop testing experiments at flowing LWR conditions show significantly reduced crud adhesion and surface crud coverage, respectively, for TiC and ZrN coatings compared to ZrO2. The loop testing results roughly agree with the London dispersion component of van der Waals force predictions, suggesting that they contribute most significantly to the adhesion of crud to fuel cladding in out-of-pile conditions. These results motivate a new look at ways of reducing crud, thus avoiding many expensive LWR operational issues.

  20. Effects of interfacial layer on characteristics of TiN/ZrO2 structures.

    PubMed

    Kim, Younsoo; Kang, Sang Yeol; Choi, Jae Hyoung; Lim, Jae Soon; Park, Min Young; Chung, Suk-Jin; Chung, Jaegwan; Lee, Hyung Ik; Kim, Ki Hong; Kyoung, Yong Koo; Heo, Sung; Yoo, Cha Young; Kang, Ho-Kyu

    2011-09-01

    To minimize the formation of unwanted interfacial layers, thin interfacial layer (ZrCN layer) was deposited between TiN bottom electrode and ZrO2 dielectric in TiN/ZrO2/TiN capacitor. Carbon and nitrogen were also involved in the layer because ZrCN layer was thermally deposited using TEMAZ without any reactant. Electrical characteristics of TiN/ZrO2/TiN capacitor were improved by insertion of ZrCN layer. The oxidation of TiN bottom electrode was largely inhibited at TiN/ZrCN/ZrO2 structure compared to TiN/ZrO2 structure. While the sheet resistance of TiN/ZrCN/ZrO2 structure was constantly sustained with increasing ZrO2 thickness, the large increase of sheet resistance was observed in TiN/ZrO2 structure after 6 nm ZrO2 deposition. When ZrO2 films were deposited on ZrCN layer, the deposition rate of ZrO2 also increased. It is believed that ZrCN layer acted both as a protection layer of TiN oxidation and a seed layer of ZrO2 growth.

  1. The adhesion performance of epoxy coating on AA6063 treated in Ti/Zr/V based solution

    NASA Astrophysics Data System (ADS)

    Zhu, Wen; Li, Wenfang; Mu, Songlin; Yang, Yunyu; Zuo, Xi

    2016-10-01

    An environment-friendly titanium/zirconium/vanadium-based (Ti/Zr/V) conversion coating was prepared on aluminum alloy 6063 (AA6063). The epoxy powder coatings were applied on the AA6063 samples with/without Ti/Zr/V conversion coatings via electrostatic spraying. The morphology and composition of the conversion coating were studied by scanning electron microscope (SEM) and X-ray photoelectron spectroscopy (XPS), respectively. The surface free energy components of AA6063 samples were measured by a static contact angle measuring device with Owens method. The adhesion properties of the epoxy coating on AA6063 treated with different conversion times were evaluated using a pull-off tester. The Ti/Zr/V conversion coating was mainly composed of metal oxide (TiO2, ZrO2, V2O5, Al2O3, etc.), metal fluoride (ZrF4, AlF3, etc.) and metal organic complex. The formation time of this conversion coating was reduced to 50 s. After such surface treatment, the samples' surface roughness was increased and the contact angle with water was decreased. Both the surface free energy and the work of adhesion were increased. The adhesion strength between the epoxy coating and AA6063 was enhanced significantly.

  2. Structure, mechanical properties, and grindability of dental Ti-Zr alloys.

    PubMed

    Ho, Wen-Fu; Chen, Wei-Kai; Wu, Shih-Ching; Hsu, Hsueh-Chuan

    2008-10-01

    Structure, mechanical properties and grindability of a series of binary Ti-Zr alloys with zirconium contents ranging from 10 to 40 wt% have been investigated. Commercially pure titanium (c.p. Ti) was used as a control. Experimental results indicated that the diffraction peaks of all the Ti-Zr alloys matched those for alpha Ti. No beta-phase peaks were found. The hardness of the Ti-Zr alloys increased as the Zr contents increased, and ranged from 266 HV (Ti-10Zr) to 350 HV (Ti-40Zr). As the concentration of zirconium in the alloys increased, the strength, elastic recovery angles and hardness increased. Moreover, the elastically recoverable angle of Ti-40Zr was higher than of c.p. Ti by as much as 550%. The grindability of each metal was found to be largely dependent on the grinding conditions. The Ti-40Zr alloy had a higher grinding rate and grinding ratio than c.p. Ti at low speed. The grinding rate of the Ti-40Zr alloy at 500 m/min was about 1.8 times larger than that of c.p. Ti, and the grinding ratio was about 1.6 times larger than that of c.p. Ti. Our research suggested that the Ti-40Zr alloy has better mechanical properties, excellent elastic recovery capability and improved grindability at low grinding speed. The Ti-40Zr alloy has a great potential for use as a dental machining alloy.

  3. Summary of SLAC's SEY Measurement On Flat Accelerator Wall Materials

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Le Pimpec, F.; /PSI, Villigen /SLAC

    The electron cloud effect (ECE) causes beam instabilities in accelerator structures with intense positively charged bunched beams. Reduction of the secondary electron yield (SEY) of the beam pipe inner wall is effective in controlling cloud formation. We summarize SEY results obtained from flat TiN, TiZrV and Al surfaces carried out in a laboratory environment. SEY was measured after thermal conditioning, as well as after low energy, less than 300 eV, particle exposure.

  4. Performance modeling of Deep Burn TRISO fuel using ZrC as a load-bearing layer and an oxygen getter

    NASA Astrophysics Data System (ADS)

    Wongsawaeng, Doonyapong

    2010-01-01

    The effects of design choices for the TRISO particle fuel were explored in order to determine their contribution to attaining high-burnup in Deep Burn modular helium reactor fuels containing transuranics from light water reactor spent fuel. The new design features were: (1) ZrC coating substituted for the SiC, allowing the fuel to survive higher accident temperatures; (2) pyrocarbon/SiC "alloy" substituted for the inner pyrocarbon coating to reduce layer failure and (3) pyrocarbon seal coat and thin ZrC oxygen getter coating on the kernel to eliminate CO. Fuel performance was evaluated using General Atomics Company's PISA code. The only acceptable design has a 200-μm kernel diameter coupled with at least 150-μm thick, 50% porosity buffer, a 15-μm ZrC getter over a 10-μm pyrocarbon seal coat on the kernel, an alloy inner pyrocarbon, and ZrC substituted for SiC. The code predicted that during a 1600 °C postulated accident at 70% FIMA, the ZrC failure probability is <10-4.

  5. Metaloxide--ZrO2 catalysts for the esterification and transesterification of free fatty acids and triglycerides to obtain bio-diesel

    DOEpatents

    Kim, Manhoe; Salley, Steven O.; Ng, K. Y. Simon

    2016-09-06

    Mixed metal oxide catalysts (ZnO, CeO, La2O3, NiO, Al203, SiO2, TiO2, Nd2O3, Yb2O3, or any combination of these) supported on zirconia (ZrO2) or hydrous zirconia are provided. These mixed metal oxide catalysts can be prepared via coprecipitation, impregnation, or sol-gel methods from metal salt precursors with/without a Zirconium salt precursor. Metal oxides/ZrO2 catalyzes both esterification and transesterification of oil containing free fatty acids in one batch or in single stage. In particular, these mixed metal oxides supported or added on zirconium oxide exhibit good activity and selectivity for esterification and transesterification. The low acid strength of this catalyst can avoid undesirable side reaction such as alcohol dehydration or cracking of fatty acids. Metal oxides/ZrO2 catalysts are not sensitive to any water generated from esterification. Thus, esterification does not require a water free condition or the presence of excess methanol to occur when using the mixed metal oxide catalyst. The FAME yield obtained with metal oxides/ZrO2 is higher than that obtained with homogeneous sulfuric acid catalyst. Metal oxides/ZrO2 catalasts can be prepared as strong pellets and in various shapes for use directly in a flow reactor. Furthermore, the pellet has a strong resistance toward dissolution to aqueous or oil phases.

  6. A Theoretical Model for Predicting Fracture Strength and Critical Flaw Size of the ZrB2-ZrC Composites at High Temperatures

    NASA Astrophysics Data System (ADS)

    Wang, Ruzhuan; Li, Xiaobo; Wang, Jing; Jia, Bi; Li, Weiguo

    2018-06-01

    This work shows a new rational theoretical model for quantitatively predicting fracture strength and critical flaw size of the ZrB2-ZrC composites at different temperatures, which is based on a new proposed temperature dependent fracture surface energy model and the Griffith criterion. The fracture model takes into account the combined effects of temperature and damage terms (surface flaws and internal flaws) with no any fitting parameters. The predictions of fracture strength and critical flaw size of the ZrB2-ZrC composites at high temperatures agree well with experimental data. Then using the theoretical method, the improvement and design of materials are proposed. The proposed model can be used to predict the fracture strength, find the critical flaw and study the effects of microstructures on the fracture mechanism of the ZrB2-ZrC composites at high temperatures, which thus could become a potential convenient, practical and economical technical means for predicting fracture properties and material design.

  7. The {sup 95}Zr( n , γ ){sup 96}Zr Cross Section from the Surrogate Ratio Method and Its Effect on s -process Nucleosynthesis

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Yan, S.Q.; Li, Z.H.; Wang, Y.B.

    The {sup 95}Zr( n , γ ){sup 96}Zr reaction cross section is crucial in the modeling of s -process nucleosynthesis in asymptotic giant branch stars because it controls the operation of the branching point at the unstable {sup 95}Zr and the subsequent production of {sup 96}Zr. We have carried out the measurement of the {sup 94}Zr({sup 18}O, {sup 16}O) and {sup 90}Zr({sup 18}O, {sup 16}O) reactions and obtained the γ -decay probability ratio of {sup 96}Zr* and {sup 92}Zr* to determine the {sup 95}Zr( n , γ ){sup 96}Zr reaction cross sections with the surrogate ratio method. Our deduced Maxwellian-averagedmore » cross section of 66 ± 16 mb at 30 keV is close to the value recommended by Bao et al., but 30% and more than a factor of two larger than the values proposed by Toukan and Käppeler and Lugaro et al., respectively, and routinely used in s -process models. We tested the new rate in stellar models with masses between 2 and 6 M {sub ⊙} and metallicities of 0.014 and 0.03. The largest changes—up to 80% variations in {sup 96}Zr—are seen in models of mass 3–4 M {sub ⊙}, where the {sup 22}Ne neutron source is mildly activated. The new rate can still provide a match to data from meteoritic stardust silicon carbide grains, provided that the maximum mass of the parent stars is below 4 M {sub ⊙}, for a metallicity of 0.03.« less

  8. A simple thick target for production of 89Zr using an 11 MeV cyclotron

    PubMed Central

    Link, Jeanne M.; Krohn, Kenneth A.; O’Hara, Matthew J.

    2017-01-01

    The growing interest but limited availability of 89Zr for PET led us to test targets for the 89Y(p,n) reaction. The goal was an easily constructed target for an 11 MeV Siemens cyclotron. Yttrium foils were tested at different thicknesses, angles and currents. A 90° foil tolerated 41 μA without damage and produced ~800 MBq/h, > 20 mCi, an amount adequate for radiochemistry research and human doses in a widely available accelerator. This method should translate to higher energy cyclotrons. PMID:28187357

  9. ZrB₂-CNTs Nanocomposites Fabricated by Spark Plasma Sintering.

    PubMed

    Jin, Hua; Meng, Songhe; Xie, Weihua; Xu, Chenghai; Niu, Jiahong

    2016-11-29

    ZrB₂-based nanocomposites with and without carbon nanotubes (CNTs) as reinforcement were prepared at 1600 °C by spark plasma sintering. The effects of CNTs on the microstructure and mechanical properties of nano-ZrB₂ matrix composites were studied. The results indicated that adding CNTs can inhibit the abnormal grain growth of ZrB₂ grains and improve the fracture toughness of the composites. The toughness mechanisms were crack deflection, crack bridging, debonding, and pull-out of CNTs. The experimental results of the nanograined ZrB₂-CNTs composites were compared with those of the micro-grained ZrB₂-CNTs composites. Due to the small size and surface effects, the nanograined ZrB₂-CNTs composites exhibited stronger mechanical properties: the hardness, flexural strength and fracture toughness were 18.7 ± 0.2 GPa, 1016 ± 75 MPa, and 8.5 ± 0.4 MPa·m 1/2 , respectively.

  10. Band gap tuning of amorphous Al oxides by Zr alloying

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Canulescu, S., E-mail: stec@fotonik.dtu.dk; Schou, J.; Jones, N. C.

    2016-08-29

    The optical band gap and electronic structure of amorphous Al-Zr mixed oxides with Zr content ranging from 4.8 to 21.9% were determined using vacuum ultraviolet and X-ray absorption spectroscopy. The light scattering by the nano-porous structure of alumina at low wavelengths was estimated based on the Mie scattering theory. The dependence of the optical band gap of the Al-Zr mixed oxides on the Zr content deviates from linearity and decreases from 7.3 eV for pure anodized Al{sub 2}O{sub 3} to 6.45 eV for Al-Zr mixed oxides with a Zr content of 21.9%. With increasing Zr content, the conduction band minimum changes non-linearlymore » as well. Fitting of the energy band gap values resulted in a bowing parameter of ∼2 eV. The band gap bowing of the mixed oxides is assigned to the presence of the Zr d-electron states localized below the conduction band minimum of anodized Al{sub 2}O{sub 3}.« less

  11. Synthesis of MAX Phases in the Zr-Ti-Al-C System.

    PubMed

    Tunca, Bensu; Lapauw, Thomas; Karakulina, Olesia M; Batuk, Maria; Cabioc'h, Thierry; Hadermann, Joke; Delville, Rémi; Lambrinou, Konstantina; Vleugels, Jozef

    2017-03-20

    This study reports on the synthesis and characterization of MAX phases in the (Zr,Ti) n+1 AlC n system. The MAX phases were synthesized by reactive hot pressing and pressureless sintering in the 1350-1700 °C temperature range. The produced ceramics contained large fractions of 211 and 312 (n = 1, 2) MAX phases, while strong evidence of a 413 (n = 3) stacking was found. Moreover, (Zr,Ti)C, ZrAl 2 , ZrAl 3 , and Zr 2 Al 3 were present as secondary phases. In general, the lattice parameters of the hexagonal 211 and 312 phases followed Vegard's law over the complete Zr-Ti solid solution range, but the 312 phase showed a non-negligible deviation from Vegard's law around the (Zr 0.33 ,Ti 0.67 ) 3 Al 1.2 C 1.6 stoichiometry. High-resolution scanning transmission electron microscopy combined with X-ray diffraction demonstrated ordering of the Zr and Ti atoms in the 312 phase, whereby Zr atoms occupied preferentially the central position in the close-packed M 6 X octahedral layers. The same ordering was also observed in 413 stackings present within the 312 phase. The decomposition of the secondary (Zr,Ti)C phase was attributed to the miscibility gap in the ZrC-TiC system.

  12. Production of Zr-89 using sputtered yttrium coin targets 89Zr using sputtered yttrium coin targets.

    PubMed

    Queern, Stacy Lee; Aweda, Tolulope Aramide; Massicano, Adriana Vidal Fernandes; Clanton, Nicholas Ashby; El Sayed, Retta; Sader, Jayden Andrew; Zyuzin, Alexander; Lapi, Suzanne Elizabeth

    2017-07-01

    An increasing interest in zirconium-89 ( 89 Zr) can be attributed to the isotope's half-life which is compatible with antibody imaging using positron emission tomography (PET). The goal of this work was to develop an efficient means of production for 89 Zr that provides this isotope with high radionuclidic purity and specific activity. We investigated the irradiation of yttrium sputtered niobium coins and compared the yields and separation efficiency to solid yttrium coins. The sputtered coins were irradiated with an incident beam energy of 17.5MeV or 17.8MeV providing a degraded transmitted energy through an aluminum degrader of 12.5MeV or 12.8MeV, respectively, with various currents to determine optimal cyclotron conditions for 89 Zr production. Dissolution of the solid yttrium coin took 2h with 50mL of 2M HCl and dissolution of the sputtered coin took 15-30min with 4mL of 2M HCl. During the separation of 89 Zr from the solid yttrium coins, 77.9 ± 11.2% of the activity was eluted off in an average of 7.3mL of 1M oxalic acid whereas for the sputtered coins, 91 ± 6% was eluted off in an average of 1.2mL of 1M oxalic acid with 100% radionuclidic purity. The effective specific activity determined via DFO-SCN titration from the sputtered coins was 108±7mCi/μmol as compared to 20.3mCi/μmol for the solid yttrium coin production. ICP-MS analysis of the yttrium coin and the sputtered coins showed 99.99% yttrium removed with 178μg of yttrium in the final solution and 99.93-100% of yttrium removed with remaining range of 0-42μg of yttrium in the final solution, respectively. The specific activity calculated for the solid coin and 3 different sputtered coins using the concentration of Zr found via ICP-MS was 140±2mCi/μmol, 300±30mCi/μmol, 410±60mCi/μmol and 1719±5mCi/μmol, respectively. Labeling yields of the 89 Zr produced via sputtered targets for 89 Zr- DFO-trastuzumab were >98%. Overall, these results show the irradiation of yttrium sputtered niobium coins

  13. Zr 2Ir 6B with an eightfold superstructure of the cubic perovskite-like boride ZrIr 3B 0.5: Synthesis, crystal structure and bonding analysis

    NASA Astrophysics Data System (ADS)

    Hermus, Martin; Fokwa, Boniface P. T.

    2010-04-01

    Single phase powder samples and single crystals of Zr 2Ir 6B were successfully synthesized by arc-melting the elements in a water-cooled copper crucible under an argon atmosphere. Superstructure reflections were observed both on powder and on single crystal diffraction data, leading to an eightfold superstructure of ZrIr 3B x phase. The new phase, which has a metallic luster, crystallizes in space group Fm3¯m (no. 225) with the lattice parameters a=7.9903(4) Å, V=510.14(4) Å 3. Its crystal structure was refined on the basis of powder as well as single crystal data. The single crystal refinement converged to R1=0.0239 and w R2=0.0624 for all 88 unique reflections and 6 parameters. Zr 2Ir 6B is isotypic to Ti 2Rh 6B and its structure can be described as a defect double perovskite, A2BB' O6, where the A site is occupied by zirconium, the B site by boron, the O site by iridium but the B' site is vacant, leading to the formation of empty and boron-filled octahedral Ir 6 clusters. According to the result of tight-binding electronic structure calculations, Ir-B and Ir-Zr interactions are mainly responsible for the structural stability of the phase. According to COHP bonding analysis, the strongest bonding occurs for the Ir-B contacts, and the Ir-Ir bonding within the empty clusters is two times stronger than that in the BIr 6 octahedra.

  14. Effects of TiN coating on the corrosion of nanostructured Ti-30Ta-xZr alloys for dental implants

    NASA Astrophysics Data System (ADS)

    Kim, Won-Gi; Choe, Han-Cheol

    2012-01-01

    Electrochemical characteristics of a titanium nitride (TiN)-coated/nanotube-formed Ti-Ta-Zr alloy for biomaterials have been researched by using the magnetic sputter and electrochemical methods. Ti-30Ta-xZr (x = 3, 7 and 15 wt%) alloys were prepared by arc melting and heat treated for 24 h at 1000 °C in an argon atmosphere and then water quenching. The formation of oxide nanotubes was achieved by anodizing a Ti-30Ta-xZr alloy in H3PO4 electrolytes containing small amounts of fluoride ions at room temperature. Anodization was carried out using a scanning potentiostat, and all experiments were conducted at room temperature. The microstructure and morphology of nanotube arrays were characterized by optical microscopy (OM), field emission scanning electron microscopy (FE-SEM) and X-ray diffraction (XRD). The TiN coatings were obtained by the radio-frequency (RF) magnetron sputtering technique. The depositions were performed from pure Ti targets on Ti-30Ta-xZr alloys substrates. The corrosion properties of the specimens were examined using potentiodynamic test in a 0.9% NaCl solution by using potentiostat. The microstructures of Ti-30Ta-xZr alloys were changed from an equiaxed to a needle-like structure with increasing Zr content. The interspace between the nanotubes was approximately 20, 80 and 200 nm for Zr contents of 3, 7 and 15 wt%, respectively. The corrosion resistance of the TiN-coated on the anodized Ti-30Ta-xZr alloys was higher than that of the untreated Ti alloys, indicating a better protective effect.

  15. Microstructure and Mechanical Properties of W-ZrC Composites Synthesized by Reactive Melt Infiltration of Zr2Cu into Porous Preforms from Partially Carburized W Powders

    NASA Astrophysics Data System (ADS)

    Wang, Dong; Wang, Yu-Jin; Huo, Si-Jia; Zhao, Yan-Wei; Ouyang, Jia-Hu; Song, Gui-Ming; Zhou, Yu

    2018-03-01

    W-ZrC composites with different W contents from 48 to 73 vol.% have been synthesized by reactive melt infiltration of Zr2Cu melt into porous preforms from partially carburized W powders at 1300 °C for 1 h in vacuum. The influences of carbon content and porosity in the preforms on microstructure and mechanical properties of W-ZrC composites are investigated. Cold isostatic pressing followed by pre-sintering process is used to produce porous preforms with suitable porosities of 53.6-47% under a pressure of 100 MPa to allow sufficient penetration of Zr2Cu melt into the preforms. Small amounts of Cu-rich phases form in the synthesized W-ZrC composites after a complete reaction of y/2xZr2Cu(l) + WC y (s) = y/xZrC x (s) + W(s) + y/2xCu(l). These Cu-rich phases are distributed not only at the phase boundaries of W matrix and ZrC grains, but also in the interior of ZrC x grains. With decreasing W content from 73 to 48 vol.% in the W-ZrC composites, the flexural strength and fracture toughness increase from 519 to 657 MPa and from 9.1 to 10.6 MPa m1/2, respectively.

  16. Tuning of optical mode magnetic resonance in CoZr/Ru/CoZr synthetic antiferromagnetic trilayers by oblique sputtering

    NASA Astrophysics Data System (ADS)

    Wang, Wenqiang; Wang, Fenglong; Cao, Cuimei; Li, Pingping; Yao, Jinli; Jiang, Changjun

    2018-04-01

    CoZr/Ru/CoZr synthetic antiferromagnetic trilayers with strong antiferromagnetic interlayer coupling were fabricated by an oblique sputtering method that induced in-plane uniaxial magnetic anisotropy. A microstrip method using a vector network analyzer was applied to investigate the magnetic resonance modes of the trilayers, including the acoustic modes (AMs) and the optical modes (OMs). At zero magnetic field, the CoZr/Ru/CoZr trilayers showed OMs with resonance frequencies of up to 7.1 GHz. By increasing the applied external magnetic field, the magnetic resonance mode can be tuned to various OMs, mixed modes, and AMs. Additionally, the magnetic resonance mode showed an angular dependence between the magnetization and the microwave field, which showed similar switching of the magnetic modes with variation of the angle. Our results provide important information that will be helpful in the design of multifunctional microwave devices.

  17. Magnetic Compton scattering study of Laves phase ZrFe2 and Sc doped ZrFe2: Experiment and Green function based relativistic calculations

    NASA Astrophysics Data System (ADS)

    Bhatt, Samir; Mund, H. S.; Kumar, Kishor; Bapna, Komal; Dashora, Alpa; Itou, M.; Sakurai, Y.; Ahuja, B. L.

    2018-05-01

    Spin momentum densities of ferromagnetic ZrFe2 and Zr0.8Sc0.2Fe2 have been measured using magnetic Compton scattering with 182.65 keV circularly polarized synchrotron radiations. Site specific spin moments, which are responsible for the formation of total spin moment, have been deduced from Compton line shapes. At room temperature, the computed spin moment of ZrFe2 is found to be slightly higher than that of Sc doped ZrFe2 which is in consensus with the magnetization data. To compare the experimental data, we have also computed magnetic Compton profiles (MCPs), total and partial spin projected density of states (DOS) and the site specific spin moments using spin-polarized relativistic Korringa-Kohn-Rostoker method. It is observed that the spin moment at Fe site is aligned antiparallel to that of Zr site in both ZrFe2 and Zr0.8Sc0.2Fe2. The MCP results when compared with vibrating sample magnetometer based magnetization data, show a very small contribution of orbital moment in the formation of total magnetic moments in both the compounds. The DOS of ferromagnetic ground state of ZrFe2 and Zr0.8Sc0.2Fe2 are interpreted on the basis of a covalent magnetic model beyond the Stoner rigid band model. It appears that on alloying between a magnetic and a non-magnetic partner (with low valence), a polarization develops on the non-magnetic atom which is anti-parallel to that of the magnetic atom.

  18. Electronic structure of ZrX2 (X = Se, Te)

    NASA Astrophysics Data System (ADS)

    Shkvarin, A. S.; Merentsov, A. I.; Shkvarina, E. G.; Yarmoshenko, Yu. M.; Píš, I.; Nappini, S.; Titov, A. N.

    2018-03-01

    The electronic structure of the ZrX2 (X = Se, Te) compounds has been studied using photoelectron, resonant photoelectron and X-ray absorption spectroscopy, theoretical calculations of the X-ray absorption spectra, and density of electronic states. It was found that the absorption spectra and valence band spectra are influenced by the chalcogen type. The results of the multiplet calculation of the Zr4+ atom show that the change in the splitting in the crystal field, which is described by the 10Dq parameter, is due to the change in the ratio of covalent and ionic contributions to the chemical bond. The resonance band near the Fermi level in the valence band spectra is observed for ZrTe2 in the Zr 3p-4d resonant excitation mode. The extent of photon energy indicates the charge localization on the Zr atom. Similar resonance band for ZrSe2 is absent; it indicates the presence of a gap at the Fermi level.

  19. Evaluation of steam corrosion and water quenching behavior of zirconium-silicide coated LWR fuel claddings

    NASA Astrophysics Data System (ADS)

    Yeom, Hwasung; Lockhart, Cody; Mariani, Robert; Xu, Peng; Corradini, Michael; Sridharan, Kumar

    2018-02-01

    This study investigates steam corrosion of bulk ZrSi2, pure Si, and zirconium-silicide coatings as well as water quenching behavior of ZrSi2 coatings to evaluate its feasibility as a potential accident-tolerant fuel cladding coating material in light water nuclear reactor. The ZrSi2 coating and Zr2Si-ZrSi2 coating were deposited on Zircaloy-4 flats, SiC flats, and cylindrical Zircaloy-4 rodlets using magnetron sputter deposition. Bulk ZrSi2 and pure Si samples showed weight loss after the corrosion test in pure steam at 400 °C and 10.3 MPa for 72 h. Silicon depletion on the ZrSi2 surface during the steam test was related to the surface recession observed in the silicon samples. ZrSi2 coating (∼3.9 μm) pre-oxidized in 700 °C air prevented substrate oxidation but thin porous ZrO2 formed on the coating. The only condition which achieved complete silicon immobilization in the oxide scale in aqueous environments was the formation of ZrSiO4 via ZrSi2 coating oxidation in 1400 °C air. In addition, ZrSi2 coatings were beneficial in enhancing quenching heat transfer - the minimum film boiling temperature increased by 6-8% in the three different environmental conditions tested. During repeated thermal cycles (water quenching from 700 °C to 85 °C for 20 s) performed as a part of quench tests, no spallation and cracking was observed and the coating prevented oxidation of the underlying Zircaloy-4 substrate.

  20. Efficient removal of arsenite through photocatalytic oxidation and adsorption by ZrO2-Fe3O4 magnetic nanoparticles

    NASA Astrophysics Data System (ADS)

    Sun, Tianyi; Zhao, Zhiwei; Liang, Zhijie; Liu, Jie; Shi, Wenxin; Cui, Fuyi

    2017-09-01

    Bifunctional ZrO2-Fe3O4 magnetic nanoparticles were synthesized and characterized, to remove As(III) through photocatalyic oxidation and adsorption. With a saturation magnetization of 27.39 emu/g, ZrO2-Fe3O4 nanoparticles with size of 10-30 nm could be easily separated from solutions with a simple magnetic process. Under UV light, As(III) could be completely oxidized to less toxic As(V) by ZrO2-Fe3O4 nanoparticles within 40 min in the photocatalytic reaction. Simultaneously, As(V) could be adsorbed onto the surface of nanoparticles with high efficiency. The adsorption of As(V) was well fitted by the pseudo-second-order model and the Freundlich isotherm model, respectively, and the maximum adsorption capacities of the nanoparticles was 133.48 mg/g at pH 7.0. As(III) could be effectively removed by ZrO2-Fe3O4 nanoparticles at initial pH range from 4 to 8. Among all the common coexisting ions investigated, except for chloride and sulfate, carbonate, silicate and phosphate decreased the As(III) removal by competing with arsenic species for adsorption sites. The synthesized magnetic ZrO2-Fe3O4 combined the photocatalytic oxidation property of ZrO2 and the high adsorption capacity of both ZrO2 and Fe3O4, which make it have significant potential applications in the As(III)-contaminated water treatment.

  1. [Radioactive nuclides in the marine environment--distribution and behaviour of 95Zr, 95Nb originated from fallout].

    PubMed

    Yamato, A; Miyagawa, N; Miyanaga, N

    1984-07-01

    To investigate behaviour of 95Zr, 95Nb in the marine environment, various samples have been collected and measured by means of Ge(Li) gamma-ray spectrometry and/or radiochemical analysis during a period from 1974 to 1982 at coastal area of Tokai-mura, Ibaraki prefecture. Concentration of the nuclides in seaweeds increased remarkably after atmospheric nuclear detonation by P.R. of China, and the activity ratio between the nuclides changed by time was not fit well by the transient decay equation. Concentration variation in sea water was smaller than that in sea weeds, and the minimum change in sea sediment. Increase of concentration in these environmental samples was observed in chronological order of sea water, sea weeds then sediment after detonations, suggesting that the uptake of the nuclides by these sea weeds from sea water is faster than that via root. Observed concentration factors on the nuclides by sea weeds were calculated from the observed concentrations in sea water and sea weeds. Maximum values on 95Zr and 95Nb were 2110, 2150, respectively for Ecklonia cava and Eisenia bicyclis.

  2. ZrO2 Layer Thickness Dependent Electrical and Dielectric Properties of BST/ZrO2/BST Multilayer Thin Films

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Sahoo, S. K.; Misra, D.; Agrawal, D. C.

    2011-01-01

    Recently, high K materials play an important role in microelectronic devices such as capacitors, memory devices, and microwave devices. Now a days ferroelectric barium strontium titanate [Ba{sub x}Sr{sub 1-x}TiO{sub 3}, (BST)] thin film is being actively investigated for applications in dynamic random access memories (DRAM), field effect transistor (FET), and tunable devices because of its properties such as high dielectric constant, low leakage current, low dielectric loss, and high dielectric breakdown strength. Several approaches have been used to optimize the dielectric and electrical properties of BST thin films such as doping, graded compositions, and multilayer structures. We have found thatmore » inserting a ZrO{sub 2} layer in between two BST layers results in a significant reduction in dielectric constant, loss tangent, and leakage current in the multilayer thin films. Also it is shown that the properties of multilayer structure are found to depend strongly on the sublayer thicknesses. In this work the effect of ZrO{sub 2} layer thickness on the dielectric, ferroelectric as well as electrical properties of BST/ZrO{sub 2}/BST multilayer structure is studied. The multilayer Ba{sub 0.8}Sr{sub 0.2}TiO{sub 3}/ZrO{sub 2}/Ba{sub 0.8}Sr{sub 0.2}TiO{sub 3} film is deposited by a sol-gel process on the platinized Si substrate. The thickness of the middle ZrO{sub 2} layer is varied while keeping the top and bottom BST layer thickness as fixed. It is observed that the dielectric constant, dielectric loss tangent, and leakage current of the multilayer films reduce with the increase of ZrO{sub 2} layer thickness and hence suitable for memory device applications. The ferroelectric properties of the multilayer film also decrease with the ZrO{sub 2} layer thickness.« less

  3. A peristaltic pump driven 89Zr separation module

    NASA Astrophysics Data System (ADS)

    Siikanen, J.; Peterson, M.; Tran, T. A.; Roos, P.; Ohlsson, T.; Sandell, A.

    2012-12-01

    To facilitate the separation of 89Zr produced in yttrium foils, an automated separation module was designed and assembled. The module separates more than 85% of produced 89Zr - activity in 3 g foils in less than 90 min. About 10 % remains in the dissolving vial. The quality of the separated 89Zr activity was investigated for labeling of the HER2-binding monoclonal antibody fragment, trastuzumab-Fab.

  4. Electrodeposition and characterization of Ni-Mo-ZrO2 composite coatings

    NASA Astrophysics Data System (ADS)

    Laszczyńska, A.; Winiarski, J.; Szczygieł, B.; Szczygieł, I.

    2016-04-01

    Ni-Mo-ZrO2 composite coatings were produced by electrodeposition technique from citrate electrolytes containing dispersed ZrO2 nanopowder. The influence of deposition parameters i.e. concentration of molybdate and ZrO2 nanoparticles in the electrolyte, bath pH and deposition current density on the composition and surface morphology of the coating has been investigated. The structure, microhardness and corrosion properties of Ni-Mo-ZrO2 composites with different molybdenum and ZrO2 content have been also examined. It was found that ZrO2 content in the deposit is increased by rising the nanoparticles concentration in the plating solution up to 20 g dm-3. An increase in molybdate concentration in the electrolyte affects negatively the amount of codeposited ZrO2 nanoparticles. The correlation between the deposition current efficiency and ZrO2 content in the composite coating has been also observed. A decrease in deposition current efficiency leads to deposition of Ni-Mo-ZrO2 composite with low nanoparticles content. This may be explained by formation of higher amounts of gas bubbles on the cathode surface, which prevent the adsorption of ZrO2 nanoparticles on the growing deposit. The XRD analysis revealed that all the studied Ni-Mo-ZrO2 coatings were composed of a single, nanocrystalline phase with FCC structure. It was found that the incorporation of ZrO2 nanoparticles into Ni-Mo alloy matrix affects positively the microhardness and also slightly improves the corrosion properties of Ni-Mo alloy coating.

  5. Effect of thermo-mechanical processing on microstructure and mechanical properties of U - Nb - Zr alloys: Part 2 - U - 3 wt % Nb - 9 wt % Zr and U - 9 wt% Nb - 3 wt% Zr

    NASA Astrophysics Data System (ADS)

    Morais, Nathanael Wagner Sales; Lopes, Denise Adorno; Schön, Cláudio Geraldo

    2018-04-01

    The present work is the second and final part of an extended investigation on Usbnd Nb - Zr alloys. It investigates the effect of mechanical processing routes on microstructure of alloys U - 3 wt % Nb - 9 wt % Zr and U - 9 wt% Nb - 3 wt% Zr, through X-ray diffraction and scanning electron microscopy, completing the investigation, which started with alloy U - 6 wt% Nb - 6 wt% Zr in part 1. Mechanical properties are determined using microhardness and bending tests and correlated with the developed microstructures. The results show that processing sequence, in particular the inclusion of a 1000 °C heat treatment step, affects significantly the microstructure and mechanical properties of these alloys alloy in different ways. Microstructural characterization shows that both alloys present significant volume fraction of precipitates of a body-centered cubic (BCC) γ-Nb-Zr rich phase in addition the uranium-rich matrix. Bending tests show that sample ductility does not correlate necessarily with hardness and that the key factor appears to be the amount of the γ-Nb-Zr precipitates, which controls the matrix microstructure. Samples with a monoclinic α″ cellular microstructure and/or with the tetragonally-distorted BCC phase (γ0), although not strictly ductile, showed the largest allowed strains-before-break and complete elastic recovery of the broken pieces, pointing out to the macroscopic observation of superelasticity.

  6. Hierarchical Na-doped cubic ZrO2 synthesis by a simple hydrothermal route and its application in biodiesel production

    NASA Astrophysics Data System (ADS)

    Lara-García, Hugo A.; Romero-Ibarra, Issis C.; Pfeiffer, Heriberto

    2014-10-01

    Hierarchical growth of cubic ZrO2 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 ZrO2 powders were performed using various techniques, such as X-ray diffraction, transmission electron microscopy, N2 adsorption-desorption, scanning electron microscopy and infrared. Results indicated that sodium addition stabilized the cubic ZrO2 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 (H2O) and carbon dioxide (CO2) sorption properties were evaluated on ZrO2 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%.

  7. Surface Characterization of ZrO2/Zr Coating on Ti6Al4V and IN VITRO Evaluation of Corrosion Behavior and Biocompatibility

    NASA Astrophysics Data System (ADS)

    Wang, Ruoyun; Sun, Yonghua; He, Xiaojing; Gao, Yuee; Yao, Xiaohong

    Biocompatibility is crucial for implants. In recent years, numerous researches were conducted aiming to modify titanium alloys, which are the most extensively used materials in orthopedic fields. The application of zirconia in the biomedical field has recently been explored. In this study, the biological ZrO2 coating was synthesized on titaniumalloy (Ti6Al4V) substrates by a duplex-treatment technique combining magnetron sputtering with micro-arc oxidation (MAO) in order to further improve the corrosion resistance and biocompatibility of Ti6Al4V alloys. The microstructures and phase constituents of the coatings were characterized by scanning electron microscope (SEM) equipped with energy dispersive spectroscopy (EDS) and X-ray diffraction (XRD), the surface wettability was evaluated by contact angle measurements. The results show that ZrO2 coatings are porous with pore sizes less than 2μm and consist predominantly of the tetragonal ZrO2 (t-ZrO2) and cubic ZrO2(c-ZrO2) phase. Electrochemical tests indicate that the corrosion rate of Ti6Al4V substrates is appreciably reduced after surface treatment in the phosphate buffer saline (PBS). In addition, significantly improved cell adhesion and growth were observed from the ZrO2/Zr surface. Therefore, the hybrid approach of magnetron sputtering and MAO provides a surface modification for Ti6Al4V to achieve acceptable corrosion resistance and biocompatibility.

  8. Hierarchical Na-doped cubic ZrO{sub 2} synthesis by a simple hydrothermal route and its application in biodiesel production

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Lara-García, Hugo A.; Romero-Ibarra, Issis C.; Pfeiffer, Heriberto, E-mail: pfeiffer@iim.unam.mx

    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} adsorption–desorption, 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 carbonmore » 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.« less

  9. Effect of UV lamp irradiation during oxidation of Zr/Pt/Si structure on electrical properties of Pt/ZrO 2/Pt/Si structure

    NASA Astrophysics Data System (ADS)

    Bae, Joon Woo; Lim, Jae-Won; Mimura, Kouji; Uchikoshi, Masahito; Miyazaki, Takamichi; Isshiki, Minoru

    2010-03-01

    Metal-insulator-metal (MIM) capacitors were fabricated using ZrO 2 films and the effects of structural and native defects of the ZrO 2 films on the electrical and dielectric properties were investigated. For preparing ZrO 2 films, Zr films were deposited on Pt/Si substrates by ion beam deposition (IBD) system with/without substrate bias voltages and oxidized at 200 °C for 60 min under 0.1 MPa O 2 atmosphere with/without UV light irradiation ( λ = 193 nm, Deep UV lamp). The ZrO 2(˜12 nm) films on Pt(˜100 nm)/Si were characterized by X-ray diffraction pattern (XRD), field emission scanning electron microscopy (FE-SEM) and high-resolution transmission electron microscopy (HRTEM), capacitance-voltage ( C- V) and current-voltage ( I- V) measurements were carried out on MIM structures. ZrO 2 films, fabricated by oxidizing the Zr film deposited with substrate bias voltage under UV light irradiation, show the highest capacitance (784 pF) and the lowest leakage current density. The active oxygen species formed by UV irradiation are considered to play an important role in the reduction of the leakage current density, because they can reduce the density of oxygen vacancies.

  10. Mechanical and thermal properties of bulk ZrB2

    NASA Astrophysics Data System (ADS)

    Nakamori, Fumihiro; Ohishi, Yuji; Muta, Hiroaki; Kurosaki, Ken; Fukumoto, Ken-ichi; Yamanaka, Shinsuke

    2015-12-01

    ZrB2 appears to have formed in the fuel debris at the Fukushima Daiichi nuclear disaster site, through the reaction between Zircaloy cladding materials and the control rod material B4C. Since ZrB2 has a high melting point of 3518 K, the ceramic has been widely studied as a heat-resistant material. Although various studies on the thermochemical and thermophysical properties have been performed for ZrB2, significant differences exist in the data, possibly due to impurities or the porosity within the studied samples. In the present study, we have prepared a ZrB2 bulk sample with 93.1% theoretical density by sintering ZrB2 powder. On this sample, we have comprehensively examined the thermal and mechanical properties of ZrB2 by the measurement of specific heat, ultrasonic sound velocities, thermal diffusivity, and thermal expansion. Vickers hardness and fracture toughness were also measured and found to be 13-23 GPa and 1.8-2.8 MPa m0.5, respectively. The relationships between these properties were carefully examined in the present study.

  11. Additive Manufacturing of Reactive In Situ Zr Based Ultra-High Temperature Ceramic Composites

    NASA Astrophysics Data System (ADS)

    Sahasrabudhe, Himanshu; Bandyopadhyay, Amit

    2016-03-01

    Reactive in situ multi-material additive manufacturing of ZrB2-based ultra-high-temperature ceramics in a Zr metal matrix was demonstrated using LENS™. Sound metallurgical bonding was achieved between the Zr metal and Zr-BN composites with Ti6Al4V substrate. Though the feedstock Zr power had α phase, LENS™ processing of the Zr powder and Zr-BN premix powder mixture led to the formation of some β phase of Zr. Microstructure of the Zr-BN composite showed primary grains of zirconium diboride phase in zirconium metal matrix. The presence of ZrB2 ceramic phase was confirmed by X-ray diffraction (XRD) analysis. Hardness of pure Zr was measured as 280 ± 12 HV and, by increasing the BN content in the feedstock, the hardness was found to increase. In Zr-5%BN composite, the hardness was 421 ± 10 HV and the same for Zr-10%BN composite was 562 ± 10 HV. It is envisioned that such multi-materials additive manufacturing will enable products in the future that cannot be manufactured using traditional approaches particularly in the areas of high-temperature metal-ceramic composites with compositional and functional gradation.

  12. Air Plasma-Sprayed La2Zr2O7-SrZrO3 Composite Thermal Barrier Coating Subjected to CaO-MgO-Al2O3-SiO2 (CMAS)

    NASA Astrophysics Data System (ADS)

    Cai, Lili; Ma, Wen; Ma, Bole; Guo, Feng; Chen, Weidong; Dong, Hongying; Shuang, Yingchai

    2017-08-01

    La2Zr2O7-SrZrO3 composite thermal barrier coatings (TBCs) were prepared by air plasma spray (APS). The La2Zr2O7-SrZrO3 composite TBCs covered with calcium-magnesium-aluminum-silicate (CMAS) powder, as well as the powder mixture of CMAS and spray-dried La2Zr2O7-SrZrO3 composite powder, were heat-treated at 1250 °C in air for 1, 4, 8, and 12 h. The phase constituents and microstructures of the reaction products were characterized by x-ray diffraction, scanning electron microscopy, and energy-dispersive spectroscopy. Experimental results showed that the La2Zr2O7-SrZrO3 composite TBCs had higher CMAS resistance than 8YSZ coating. A dense new layer developed between CMAS and La2Zr2O7-SrZrO3 composite TBCs during interaction, and this new layer consisted mostly of apatite (Ca2La8(SiO4)6O2) and c-ZrO2. The newly developed layer effectively protected the La2Zr2O7-SrZrO3 composite TBCs from further CMAS attack.

  13. Large enhancement of superconductivity in Zr point contacts.

    PubMed

    Aslam, Mohammad; Singh, Chandan; Das, Shekhar; Kumar, Ritesh; Datta, Soumya; Halder, Soumyadip; Gayen, Sirshendu; Kabir, Mukul; Sheet, Goutam

    2018-04-30

    For certain complex superconducting systems, the superconducting properties get enhanced under mesoscopic point contacts made of elemental non-superconducting metals. However, understanding of the mechanism through which such contact induced local enhancement of superconductivity happens has been limited due to the complex nature of such compounds. In this paper we present a large enhancement of superconducting transition temperature (T<sub>c</sub>) and superconducting energy gap (Δ) in a simple elemental superconductor Zr. While bulk Zr shows a critical temperature around 0.6K, superconductivity survives at Ag/Zr and Pt/Zr point contacts up to 3K with a corresponding five-fold enhancement of Δ. Further, the first-principles calculations on a model system provide useful insights. We show that the enhancement in superconducting properties can be attributed to a modification in the electron-phonon coupling accompanied by an enhancement of the density of states which involves the appearance of a new electron band at the Ag/Zr interfaces. © 2018 IOP Publishing Ltd.

  14. High-yield sol-gel synthesis of well-dispersed, colorless ZrO(2) nanocrystals.

    PubMed

    Mizuno, Mikihisa; Sasaki, Yuichi; Lee, Sungkil; Katakura, Hitoshi

    2006-08-15

    A 93% high-yield synthesis of well-dispersed, colorless zirconium dioxide (ZrO(2)) nanocrystals is reported. In this synthesis, hydrolysis and condensation reactions of zirconium(IV) tert-butoxide in the presence of oleic acid (100 degrees C) formed ZrO(2) precursors. The ZrO(2) precursors were made of -Zr-O-Zr- networks surrounded by oleic acid molecules. Annealing (280 degrees C) the precursors dispersed in dioctyl ether caused crystallization of the -Zr-O-Zr- networks, thereby generating 4 nm ZrO(2) nanocrystals stabilized with oleic acid. The particles were highly crystalline and tetragonal phase. A dense ZrO(2) nanocrystal dispersion in toluene (280 mg/mL) showed a transmittance of about 90% (3 mm optical path length) in the whole visible region.

  15. Orthorhombic Zr2Co11 phase revisited

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Li, X. -Z.; Zhang, W. Y.; Sellmyer, D. J.

    2014-10-01

    The structure of the orthorhombic Zr2Co11 phase was revisited in the present work. Selected-area electron diffraction (SAED) and high-resolution electron microscopy (HREM) techniques were used to investigate the structure. They show the orthorhombic Zr2Co11 phase has a 1-D incommensurate modulated structure. The structure can be approximately described as a B-centered orthorhombic lattice. The lattice parameters of the orthorhombic Zr2Co11 phase have been determined by a tilt series of SAED patterns. A hexagonal network with a modulation wave has been observed in the HREM image and the hexagonal motif is considered as the basic structural unit.

  16. Mixing effects in a ternary Hf-Zr-Ni metallic melt

    NASA Astrophysics Data System (ADS)

    Nowak, B.; Holland-Moritz, D.; Yang, F.; Evenson, Z.; Meyer, A.

    2018-03-01

    We study the effect of the substitution of Zr by Hf on the dynamical behavior in the Zr36Ni64 melt. A reduced measured self-diffusion coefficient and a higher measured melt viscosity for an increased amount of Hf were observed. The ternary Hf10Zr25Ni65 melt, which exhibits a pronounced deviation from Arrhenius behavior over a studied temperature range of 550 K, can be accurately described by the scaling law of mode-coupling theory (MCT) with almost equal parameters for the self-diffusion and the viscosity. Although we only substitute alloy components with a nearly equal atomic size and the measured overall packing fraction remains almost unchanged, the dynamics in Hf10Zr25Ni65 are slower compared to Zr36Ni64 . This corresponds also to a higher critical temperature Tc and might be induced by different chemical interactions in the melts. The increased Tc results in a significantly smaller difference between liquidus and critical temperature Δ TLC=TL-Tc for the ternary melt in comparison with Zr36Ni64 , which may favor the glass formation in the Hf10Zr25Ni65 melt.

  17. Calculations of hydrogen diffusivity in Zr-based alloys: Influence of alloying elements and effect of stress

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Yu, J.; Jiang, C.; Zhang, Y.

    This report summarizes the progress on modeling hydrogen diffusivity in Zr-based alloys. The presence of hydrogen (H) can detrimentally affect the mechanical properties of many metals and alloys. To mitigate these detrimental effects requires fundamental understanding of the thermodynamics and kinetics governing H pickup and hydride formation. In this work, we focus on H diffusion in Zr-based alloys by studying the effects of alloying elements and stress, factors that have been shown to strongly affect H pickup and hydride formation in nuclear fuel claddings. A recently developed accelerated kinetic Monte Carlo method is used for the study. It is foundmore » that for the alloys considered here, H diffusivity depends weakly on composition, with negligible effect at high temperatures in the range of 600-1200 K. Therefore, the small variation in compositions of these alloys is likely not a major cause of the very different H pickup rates. In contrast, stress strongly affects H diffusivity. This effect needs to be considered for studying hydride formation and delayed hydride cracking.« less

  18. Nuclear Structure of the Closed Subshell Nucleus 90Zr Studied with the (n,n'(gamma)) Reaction

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Garrett, P E; Younes, Y; Becker, J A

    States in {sup 90}Zr have been observed with the (n,n{prime}{gamma}) reaction using both spallation and monoenergetic accelerator-produced neutrons. A scheme comprised of 81 levels and 157 transitions was constructed concentrating on levels below 5.6 MeV in excitation energy. Spins have been determined by considering data from all experimental studies performed for {sup 90}Zr. Lifetimes have been deduced using the Doppler-shift attenuation method for many of the states and transition rates have been obtained. A spherical shell-model interpretation in terms of particle-hole excitations assuming a {sup 88}Sr closed core is given. In some cases, enhancements in B(M1) and B(E2) values aremore » observed that cannot be explained by assuming simple particle-hole excitations. Shell-model calculations using an extended f pg-shell model space reproduce the spectrum of excited states very well, and the gross features of the B(M1) and B(E2) transition rates. Transition rates for individual levels show discrepancies between calculations and experimental values.« less

  19. High pressure hydriding of sponge-Zr in steam-hydrogen mixtures

    NASA Astrophysics Data System (ADS)

    Soo Kim, Yeon; Wang, Wei-E.; Olander, D. R.; Yagnik, S. K.

    1997-07-01

    Hydriding kinetics of thin sponge-Zr layers metallurgically bonded to a Zircaloy disk has been studied by thermogravimetry in the temperature range 350-400°C in 7 MPa hydrogen-steam mixtures. Some specimens were prefilmed with a thin oxide layer prior to exposure to the reactant gas; all were coated with a thin layer of gold to avoid premature reaction at edges. Two types of hydriding were observed in prefilmed specimens, viz., a slow hydrogen absorption process that precedes an accelerated (massive) hydriding. At 7 MPa total pressure, the critical ratio of H 2/H 2O above which massive hydriding occurs at 400°C is ˜ 200. The critical H 2/H 20 ratio is shifted to ˜2.5 × 103 at 350°C. The slow hydriding process occurs only when conditions for hydriding and oxidation are approximately equally favorable. Based on maximum weight gain, the specimen is completely converted to δ-ZrH 2 by massive hydriding in ˜5 h at a hydriding rate of ˜10 -6 mol H/cm 2 s. Incubation times of 10-20 h prior to the onset of massive hydriding increases with prefilm oxide thickness in the range of 0-10 μm. By changing to a steam-enriched gas, massive hydriding that initially started in a steam-starved condition was arrested by re-formation of a protective oxide scale.

  20. Precipitation in cold-rolled Al–Sc–Zr and Al–Mn–Sc–Zr alloys prepared by powder metallurgy

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Vlach, M., E-mail: martin.vlach@mff.cuni.cz; Stulikova, I.; Smola, B.

    2013-12-15

    The effects of cold-rolling on thermal, mechanical and electrical properties, microstructure and recrystallization behaviour of the AlScZr and AlMnScZr alloys prepared by powder metallurgy were studied. The powder was produced by atomising in argon with 1% oxygen and then consolidated by hot extrusion at 350 °C. The electrical resistometry and microhardness together with differential scanning calorimetry measurements were compared with microstructure development observed by transmission and scanning electron microscopy, X-ray diffraction and electron backscatter diffraction. Fine (sub)grain structure developed and fine coherent Al{sub 3}Sc and/or Al{sub 3}(Sc,Zr) particles precipitated during extrusion at 350 °C in the alloys studied. Additional precipitationmore » of the Al{sub 3}Sc and/or Al{sub 3}(Sc,Zr) particles and/or their coarsening was slightly facilitated by the previous cold rolling. The presence of Sc,Zr-containing particles has a significant antirecrystallization effect that prevents recrystallization at temperatures minimally up to 420 °C. The precipitation of the Al{sub 6}Mn- and/or Al{sub 6}(Mn,Fe) particles of a size ∼ 1.0 μm at subgrain boundaries has also an essential antirecrystallization effect and totally suppresses recrystallization during 32 h long annealing at 550 °C. The texture development of the alloys seems to be affected by high solid solution strengthening by Mn. The precipitation of the Mn-containing alloy is highly enhanced by a cold rolling. The apparent activation energy of the Al{sub 3}Sc particles formation and/or coarsening and that of the Al{sub 6}Mn and/or Al{sub 6}(Mn,Fe) particle precipitation in the powder and in the compacted alloys were determined. The cold deformation has no effect on the apparent activation energy values of the Al{sub 3}Sc-phase and the Al{sub 6}Mn-phase precipitation. - Highlights: • The Mn, Sc and Zr additions to Al totally suppresses recrystallization at 550 °C. • The Sc,Zr

  1. Ion-enhanced chemical etching of ZrO2 in a chlorine discharge

    NASA Astrophysics Data System (ADS)

    Sha, Lin; Cho, Byeong-Ok; Chang, Jane P.

    2002-09-01

    Chlorine plasma is found to chemically etch ZrO2 thin films in an electron cyclotron resonance reactor, and the etch rate scaled linearly with the square root of ion energy at high ion energies with a threshold energy between 12-20 eV. The etching rate decreased monotonically with increasing chamber pressures, which corresponds to reduced electron temperatures. Optical emission spectroscopy and quadrupole mass spectrometry were used to identify the reaction etching products. No Zr, O, or ZrCl were detected as etching products, but highly chlorinated zirconium compounds (ZrCl2, ZrCl3, and ZrCl4) and ClO were found to be the dominant etching products. ZrCl3 was the dominant etching products at low ion energies, while ZrCl4 became dominant at higher ion energies. This is consistent with greater momentum transfer and enhanced surface chlorination, as determined by x-ray photoelectron spectroscopy, at increased ion energies. Several ion-enhanced chemical reactions are proposed to contribute to the ZrO2 etching. copyright 2002 American Vacuum Society.

  2. ZrB2-CNTs Nanocomposites Fabricated by Spark Plasma Sintering

    PubMed Central

    Jin, Hua; Meng, Songhe; Xie, Weihua; Xu, Chenghai; Niu, Jiahong

    2016-01-01

    ZrB2-based nanocomposites with and without carbon nanotubes (CNTs) as reinforcement were prepared at 1600 °C by spark plasma sintering. The effects of CNTs on the microstructure and mechanical properties of nano-ZrB2 matrix composites were studied. The results indicated that adding CNTs can inhibit the abnormal grain growth of ZrB2 grains and improve the fracture toughness of the composites. The toughness mechanisms were crack deflection, crack bridging, debonding, and pull-out of CNTs. The experimental results of the nanograined ZrB2-CNTs composites were compared with those of the micro-grained ZrB2-CNTs composites. Due to the small size and surface effects, the nanograined ZrB2-CNTs composites exhibited stronger mechanical properties: the hardness, flexural strength and fracture toughness were 18.7 ± 0.2 GPa, 1016 ± 75 MPa, and 8.5 ± 0.4 MPa·m1/2, respectively. PMID:28774087

  3. Nanocrystalline Fe/Zr alloys: preparation by using mechanical alloying and mechanical milling processes

    NASA Astrophysics Data System (ADS)

    Rodríguez, V. A. Peña; Medina, J. Medina; Marcatoma, J. Quispe; Ayala, Ch. Rojas; Landauro, C. V.; Baggio-Saitovitch, E. M.; Passamani, E. C.

    2011-11-01

    Nanocrystalline Fe/Zr alloys have been prepared after milling for 9 h the mixture of elemental Fe and Zr powders or the arc-melting produced Fe2Zr alloy by using mechanical alloying and mechanical milling techniques, respectively. X-ray and Mössbauer results of the Fe and Zr powders, mechanically alloyed, suggest that amorphous Fe2Zr phase and \\upalpha-Fe(Zr) nanograins have been produced with relative concentrations of 91% and 9%, respectively. Conversely, the results of the mechanically milled Fe2Zr alloy indicate that nanograins of the Fe2Zr alloy have been formed, surrounded by a magnetic inter-granular phase that are simultaneously dispersed in a paramagnetic amorphous phase.

  4. Routine Production of 89Zr Using an Automated Module

    DOE PAGES

    Wooten, A.; Madrid, Evelyn; Schweitzer, Gordon; ...

    2013-07-12

    89Zr has emerged as a useful radioisotope for targeted molecular imaging via positron emission tomography (PET) in both animal models and humans. This isotope is particularly attractive for cancer research because its half-life (t 1/2 = 3.27 days) is well-suited for in vivo targeting of macromolecules and nanoparticles to cell surface antigens expressed by cancer cells. Furthermore, 89Zr emits a low-energy positron (E β+,mean = 0.40 MeV), which is favorable for high spatial resolution in PET, with an adequate branching ratio for positron emission (BR = 23%). The demand for 89Zr for research purposes is increasing; however, 89Zr also emitsmore » significant gamma radiation (Γ 15 keV = 6.6 R∙cm 2/mCi∙h), which makes producing large amounts of this isotope by hand unrealistic from a radiation safety standpoint. Fortunately, a straightforward method exists for production of 89Zr by bombarding a natural Y target in a biomedical cyclotron and then separation of 89Zr from the target material by column chromatography. The chemical separation in this method lends itself to remote processing using an automated module placed inside a hot cell. In this work, we have designed, built and commissioned a module that has performed the chemical separation of 89Zr safely and routinely, at activities in excess of 50 mCi, with radionuclidic purity > 99.9% and satisfactory effective specific activity (ESA).« less

  5. Spallation behaviour of a Zr-bulk metallic glass

    NASA Astrophysics Data System (ADS)

    Ling, Z.; Huang, X.; Shen, L. T.; Dai, L. H.

    2012-08-01

    Plate impact experiments have been conducted on a Zr-based bulk metal glass (BMG) using a single stage light gas gun. To understand the spallation process of the material, samples were subjected to dynamic tensile loadings of the same amplitude but different durations. Fractographs of spallation surface and fracture features were characterized and the fracture mechanism of different regions of the spallation surface was discussed. Morphology of the spallation surface in the Zr-BMG exhibited a typical equiaxial cellular pattern and porous microstructure. These experiments revealed that, subjected to hydro-tensile stresses, the microdamage of the spallation occurred in the Zr-BMG is microvoids; the spallation in the Zr-BMG is resulted from nucleation, growth and coalescence of microvoids; and the time needed for these microvoids nucleation is less than 100 ns with a stress amplitude of 3.18 GPa.

  6. Popcorn balls-like ZnFe2O4-ZrO2 microsphere for photocatalytic degradation of 2,4-dinitrophenol

    NASA Astrophysics Data System (ADS)

    Chen, Xi; Liu, Yutang; Xia, Xinnian; Wang, Longlu

    2017-06-01

    In this paper, novel popcorn balls-like ZnFe2O4-ZrO2 composite microspheres were successfully fabricated by a simple hydrothermal method. The morphology, structure and optical property of the microspheres were characterized. The microspheres were used as the photocatalysts to degrade 2,4-dinitrophenol, and exhibited superior photocatalytic performance. Under simulated solar visible light irradiation, the degradation rate of ZnFe2O4-ZrO2 photocatalyst (mass ratio of ZnFe2O4/ZrO2 = 2:1) was almost 7.4 and 2.4 times higher than those of pure ZnFe2O4 and ZrO2. The enhancement could attribute to stronger light absorption, lower carrier recombination and multi-porous structure of the microspheres. Moreover, the popcorn balls-like photocatalysts can be easily separated, because of the magnetism of the samples. After five times runs, the photocatalyst still showed 90% of its photocatalytic degradation efficiency. This work demonstrated a good prospect for removing organic pollutants in water.

  7. Synthesis of ultrafine ZrB2 powders by sol-gel process

    NASA Astrophysics Data System (ADS)

    Yang, Li-Juan; Zhu, Shi-Zhen; Xu, Qiang; Yan, Zhen-Yu; Liu, Ling

    2010-09-01

    Ultrafine zirconium diboride (ZrB2) powders have been synthesized by sol-gel process using zirconium oxychloride (ZrOCl2·8H2O), boric acid (H3BO3) and phenolic resin as sources of zirconia, boron oxide and carbon, respectively. The effects of the reaction temperature, B/Zr ratio, holding time, and EtOH/H2O ratio on properties of the synthesized ZrB2 powders were investigated. It was revealed that ultrafine (average crystallite size between 100 and 400 nm) ZrB2 powders can be synthesized with the optimum processing parameters as follows: (i) the ratio of B/Zr is 4; (ii) the solvent is pure ethanol; (iii) the condition of carbothermal reduction heat treatment is at 1550°C for 20 min.

  8. Hydrodeoxygenation of p -Cresol over Pt/Al 2 O 3 Catalyst Promoted by ZrO 2 , CeO 2 , and CeO 2 –ZrO 2

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Wang, Weiyan; Wu, Kui; Liu, Pengli

    2016-07-20

    ZrO 2-Al 2O 3 and CeO 2-Al 2O 3 were prepared by a co-precipitation method and selected as supports for Pt catalysts. The effects of CeO 2 and ZrO 2 on the surface area and Brønsted acidity of Pt/Al 2O 3 were studied. In the hydrodeoxygenation (HDO) of p-cresol, the addition of ZrO 2 promoted the direct deoxygenation activity on Pt/ZrOO 2-Al 2O 3 via Caromatic-O bond scission without benzene ring saturation. Pt/CeOO 2-Al 2O 3 exhibited higher deoxygenation extent than Pt/Al 2O 3 due to the fact that Brønsted acid sites on the catalyst surface favored the adsorption ofmore » p-cresol. With the advantages of CeO 2 and ZrO 2 taken into consideration, CeO 2-ZrOO 2-Al 2O 3 was prepared, leading to the highest HDO activity of Pt/CeO 2-ZrOO 2-Al 2O 3. The deoxygenation extent for Pt/CeO 2-ZrOO 2-Al 2O 3 was 48.4% and 14.5% higher than that for Pt/ZrO2O 2-Al 2O 3 and Pt/CeOO 2-Al 2O 3, respectively.« less

  9. Synthesis of Carboxylate Cp*Zr(IV) Species: Toward the Formation of Novel Metallocavitands.

    PubMed

    Daigle, Maxime; Bi, Wenhua; Légaré, Marc-André; Morin, Jean-François; Fontaine, Frédéric-Georges

    2015-06-01

    With the intent of generating metallocavitands isostructural to species [(CpZr)3(μ(3)-O)(μ(2)-OH)3(κO,O,μ(2)-O2C(R))3](+), the reaction of Cp*2ZrCl2 and Cp*ZrCl3 with phenylcarboxylic acids was carried out. Depending on the reaction conditions, five new complexes were obtained, which consisted of Cp*2ZrCl(κ(2)-OOCPh) (1), (Cp*ZrCl(κ(2)-OOCPh))2(μ-κ(2)-OOCPh)2 (2), [(Cp*Zr(κ(2)-OOCPh))2(μ-κ(2)-OOCPh)2(μ(2)-OH)2]·Et2O (3·Et2O), [[Cp*ZrCl2](μ-Cl)(μ-OH)(μ-O2CC6H5)[Cp*Zr

  10. Adsorption of Anionic, Cationic and Nonionic Surfactants on Carbonate Rock in Presence of ZrO 2 Nanoparticles

    NASA Astrophysics Data System (ADS)

    Esmaeilzadeh, Pouriya; Bahramian, Alireza; Fakhroueian, Zahra

    The adsorption of surfactants at the solid-water interface is important for the control of wetting, lubrication, detergency and in mineral flotation.We have studied the adsorptions of different types of surfactants, cationic (Dodecyl trimethylammonium bromide, DTAB), anionic (sodium dodecyl sulfate, SDS) and non-anionic (lauryl alcohol-7 mole ethoxylate, LA7) on carbonate rock in presence of zirconium oxide spherical nanoparticles (17-19 nm). ZrO2 nanoparticles with tetrahedral structure have significant effect on adsorption of surfactants on the carbonate rock. We have used the measured conductivities to determine the rate of adsorption of surfactants at rock-water interfaces. The conductivity of DTAB in aqueous solutions containing calcite powder decreases more than the other surfactants in contact with ZrO2 nanoparticles. We have also investigated the adsorption of surfactants at the air-water interface. The presence of nanoparticles, as demonstrated by our experiments, enhances the surface activity and surface adsorption of the surfactants through electrostatic forces or formation of nanostructures. Dynamic light structuring data shows similar aggregation number of nanoparticles in presence of nanoparticles.

  11. A DFT+U study of Pu immobilization in Gd2Zr2O7

    NASA Astrophysics Data System (ADS)

    Zhao, F. A.; Xiao, H. Y.; Jiang, M.; Liu, Z. J.; Zu, X. T.

    2015-12-01

    The solubility of Pu in Gd2Zr2O7 has been investigated by the density functional theory plus Hubbard U correction. It is found that the formation of PuGdZr2O7, Gd2PuZrO7 and Gd2Pu1.5Zr0.5O7 are exothermic, whereas Pu0.5Gd1.5Zr2O7, Pu1.5Gd0.5Zr2O7 and Gd2Pu0.5Zr1.5O7 are energetically less stable than their respective separated states. The calculations show that both the Gd and Zr lattice sites can be substituted by the Pu, which is consistent with the immobilization behavior of uranium in Gd2Zr2O7 observed experimentally. The site preference of Pu in Gd2Zr2O7 is found to be dependent on the chemical environment, i.e., Pu prefers to substitute for Gd-site under Gd-rich and O2-rich conditions and for Zr-site under Zr-rich and O2-rich conditions.

  12. Irradiation induced structural change in Mo 2Zr intermetallic phase

    DOE PAGES

    Gan, J.; Keiser, Jr., D. D.; Miller, B. D.; ...

    2016-05-14

    The Mo 2Zr phase has been identified as a major interaction product at the interface of U-10Mo and Zr. Transmission electron microscopy in-situ irradiation with Kr ions at 200 °C with doses up to 2.0E+16 ions/cm 2 was carried out to investigate the radiation stability of the Mo 2Zr. The Mo 2Zr undergoes a radiation-induced structural change, from a large cubic (cF24) to a small cubic (cI2), along with an estimated 11.2% volume contraction without changing its composition. The structural change begins at irradiation dose below 1.0E+14 ions/cm 2. Furthermore, the transformed Mo 2Zr phase demonstrates exceptional radiation tolerance withmore » the development of dislocations without bubble formation.« less

  13. Effects of Al addition on atomic structure of Cu-Zr metallic glass

    NASA Astrophysics Data System (ADS)

    Li, Feng; Zhang, Huajian; Liu, Xiongjun; Dong, Yuecheng; Yu, Chunyan; Lu, Zhaoping

    2018-02-01

    The atomic structures of Cu52Zr48 and Cu45Zr48Al7 metallic glasses (MGs) have been studied by molecular dynamic simulations. The results reveal that the molar volume of the Cu45Zr48Al7 MG is smaller than that of the Cu52Zr48 MG, although the size of the Al atom is larger than that of the Cu atom, implying an enhanced atomic packing density achieved by introducing Al into the ternary MG. Bond shortening in unlike atomic pairs Zr-Al and Cu-Al is observed in the Cu45Zr48Al7 MG, which is attributed to strong interactions between Al and (Zr, Cu) atoms. Meanwhile, the atomic packing efficiency is enhanced by the minor addition of Al. Compared with the Cu52Zr48 binary MG, the potential energy of the ternary MG decreases and the glass transition temperature increases. Structural analyses indicate that more Cu- and Al-centered full icosahedral clusters emerge in the Cu45Zr48Al7 MG as some Cu atoms are substituted by Al. Furthermore, the addition of Al leads to more icosahedral medium-range orders in the ternary MG. The increase of full icosahedral clusters and the enhancement of the packing density are responsible for the improved glass-forming ability of Cu45Zr48Al7.

  14. Photoluminescence and cathodoluminescence of Tb-doped Al 2O 3-ZrO 2 nanostructures obtained by sol-gel method

    NASA Astrophysics Data System (ADS)

    Zawadzki, M.; Hreniak, D.; Wrzyszcz, J.; Miśta, W.; Grabowska, H.; Malta, O. L.; Stręk, W.

    2003-07-01

    Terbium-doped Al 2O 3-ZrO 2 mixed oxides of 10 wt% zirconia content were prepared by the alkoxide sol-gel method. The obtained samples were characterized by XRD, SEM, thermal analysis, textural and TPR studies. The effect of thermal treatment of Tb-doped Al 2O 3-ZrO 2 samples on photo- and cathodoluminescence spectra was investigated. It was found that the photoluminescence spectrum induced by UV excitation was characterized by a green luminescence pattern arising from the 5D 4 → 7F J ( J=6-0) transitions of the Tb 3+ ion. This photoluminescence became almost completely damped for the samples sintered at 1200 °C. However, these samples have demonstrated an intense cathodoluminescence under high electron accelerating potential (60 kV). Moreover, it was observed that apart of the green luminescence, the blue emission lines arising from 5D 3 → 7F J transitions of Tb 3+ were observed. The nature of such behavior is discussed.

  15. Effects of pretreatment processes for Zr electrorefining of oxidized Zircaloy-4 cladding tubes

    NASA Astrophysics Data System (ADS)

    Hwa Lee, Chang; Lee, Yoo Lee; Jeon, Min Ku; Choi, Yong Taek; Kang, Kweon Ho; Park, Geun Il

    2014-06-01

    The effect of pretreatment processes for the Zr electrorefining of oxidized Zircaloy-4 cladding tubes is examined in LiCl-KCl-ZrCl4 molten salts at 500 °C. The cyclic voltammetries reveal that the Zr dissolution kinetics is highly dependent on the thickness of a Zr oxide layer formed at 500 °C under air atmosphere. For the Zircaloy-4 tube covered with a 1 μm thick oxide layer, the Zr dissolution process is initiated from a non-stoichiometric Zr oxide surface through salt treatment at an open circuit potential in the molten salt electrolyte. The Zr dissolution of the samples in the middle range of oxide layer thickness appears to be more effectively derived by the salt treatment coupled with an anodic potential application at an oxidation potential of Zr. A modification of the process scheme offers an applicability of Zr electrorefining for the treatment of oxidized cladding hull wastes.

  16. Investigation into the effect of water chemistry on corrosion product formation in areas of accelerated flow

    NASA Astrophysics Data System (ADS)

    McGrady, John; Scenini, Fabio; Duff, Jonathan; Stevens, Nicholas; Cassineri, Stefano; Curioni, Michele; Banks, Andrew

    2017-09-01

    The deposition of CRUD (Chalk River Unidentified Deposit) in the primary circuit of a Pressurised Water Reactor (PWR) is known to preferentially occur in regions of the circuit where flow acceleration of coolant occurs. A micro-fluidic flow cell was used to recreate accelerated flow under simulated PWR conditions, by flowing water through a disc with a central micro-orifice. CRUD deposition was reproduced on the disc, and CRUD Build-Up Rates (BUR) in various regions of the disc were analysed. The effect of the local environment on BUR was investigated. In particular, the effect of flow velocity, specimen material and Fe concentration were considered. The morphology and composition of the deposits were analysed with respect to experimental conditions. The BUR of CRUD was found to be sensitive to flow velocity and Fe concentration, suggesting that mass transfer is an important factor. The morphology of the deposit was affected by the specimen material indicating a dependence on surface/particle electrostatics meaning surface chemistry plays an important role in deposition. The preferential deposition of CRUD in accelerated flow regions due to electrokinetic effects was observed and it was shown that higher Fe concentrations in solution increased BURs within the orifice whereas increased flow velocity reduced BURs.

  17. Enhancement of High Temperature Strength of 2219 Alloys Through Small Additions of Nb and Zr and a Novel Heat Treatment

    NASA Astrophysics Data System (ADS)

    Mondol, S.; Makineni, S. K.; Kumar, S.; Chattopadhyay, K.

    2018-07-01

    This paper presents a detailed investigation on the effect of small amount of Nb and Zr additions to 2219 Al alloy coupled with a novel three-stage heat treatment process. The main aim of the work is to increase the high temperature strength of 2219 alloy by introducing thermally stable L12 type ordered precipitates in the matrix as well as by reducing the coarsening of metastable strengthening θ″ and θ' precipitates. To achieve this, small amounts of Nb and Zr are added to 2219 alloy melt and retained in solid solution by suction casting in a water-cooled copper mould having a cooling rate of 102 to 103 K/s. The suction cast alloy is directly aged at 673 K (400 °C) to form L12 type ordered coherent Al3Zr precipitates. Subsequently, the alloy is solution treated at 808 K (535 °C) for 30 minutes to get supersaturation of Cu in the matrix without significantly affecting the Al3Zr precipitates. Finally, the alloy is aged at 473 K (200 °C), which results in the precipitation of θ″ and θ'. Microstructural characterization reveals that θ″ and θ' are heterogeneously precipitated on pre-existing uniformly distributed Al3Zr precipitates, which leads to a higher number density of these precipitates. This results in a significant increase in strength at room temperature as well as at 473 K (200 °C) as compared to the 2219 alloy. Furthermore, the alloy remains thermally stable after prolonged exposure at 473 K (200 °C), which is attributed to the elastic strain energy minimization by the conjoint Al3Zr/ θ' or Al3Zr/ θ″ precipitates, and the high Zr and Nb solute-vacancy binding energy, retarding the growth and coarsening of θ″ and θ' precipitates.

  18. Enhancement of High Temperature Strength of 2219 Alloys Through Small Additions of Nb and Zr and a Novel Heat Treatment

    NASA Astrophysics Data System (ADS)

    Mondol, S.; Makineni, S. K.; Kumar, S.; Chattopadhyay, K.

    2018-05-01

    This paper presents a detailed investigation on the effect of small amount of Nb and Zr additions to 2219 Al alloy coupled with a novel three-stage heat treatment process. The main aim of the work is to increase the high temperature strength of 2219 alloy by introducing thermally stable L12 type ordered precipitates in the matrix as well as by reducing the coarsening of metastable strengthening θ″ and θ' precipitates. To achieve this, small amounts of Nb and Zr are added to 2219 alloy melt and retained in solid solution by suction casting in a water-cooled copper mould having a cooling rate of 102 to 103 K/s. The suction cast alloy is directly aged at 673 K (400 °C) to form L12 type ordered coherent Al3Zr precipitates. Subsequently, the alloy is solution treated at 808 K (535 °C) for 30 minutes to get supersaturation of Cu in the matrix without significantly affecting the Al3Zr precipitates. Finally, the alloy is aged at 473 K (200 °C), which results in the precipitation of θ″ and θ'. Microstructural characterization reveals that θ″ and θ' are heterogeneously precipitated on pre-existing uniformly distributed Al3Zr precipitates, which leads to a higher number density of these precipitates. This results in a significant increase in strength at room temperature as well as at 473 K (200 °C) as compared to the 2219 alloy. Furthermore, the alloy remains thermally stable after prolonged exposure at 473 K (200 °C), which is attributed to the elastic strain energy minimization by the conjoint Al3Zr/θ' or Al3Zr/θ″ precipitates, and the high Zr and Nb solute-vacancy binding energy, retarding the growth and coarsening of θ″ and θ' precipitates.

  19. Elastic and transport properties of topological semimetal ZrTe

    NASA Astrophysics Data System (ADS)

    Guo, San-Dong; Wang, Yue-Hua; Lu, Wan-Li

    2017-11-01

    Topological semimetals may have substantial applications in electronics, spintronics, and quantum computation. Recently, ZrTe was predicted as a new type of topological semimetal due to the coexistence of Weyl fermions and massless triply degenerate nodal points. In this work, the elastic and transport properties of ZrTe are investigated by combining the first-principles calculations and semiclassical Boltzmann transport theory. Calculated elastic constants prove the mechanical stability of ZrTe, and the bulk modulus, shear modulus, Young’s modulus, and Poisson’s ratio also are calculated. It is found that spin-orbit coupling (SOC) has slightly enhanced effects on the Seebeck coefficient, which along the a(b) and c directions for pristine ZrTe at 300 K is 46.26 μVK-1 and 80.20 μVK-1, respectively. By comparing the experimental electrical conductivity of ZrTe (300 K) with the calculated value, the scattering time is determined as 1.59 × 10-14 s. The predicted room-temperature electronic thermal conductivity along the a(b) and c directions is 2.37 {{Wm}}-1{{{K}}}-1 and 2.90 {{Wm}}-1{{{K}}}-1, respectively. The room-temperature lattice thermal conductivity is predicted as 17.56 {{Wm}}-1{{{K}}}-1 and 43.08 {{Wm}}-1{{{K}}}-1 along the a(b) and c directions, showing very strong anisotropy. Calculated results show that isotope scattering produces an observable effect on lattice thermal conductivity. To observably reduce lattice thermal conductivity by nanostructures, the characteristic length should be smaller than 70 nm, based on cumulative lattice thermal conductivity with respect to the phonon mean free path (MFP) at 300 K. It is noted that the average room-temperature lattice thermal conductivity of ZrTe is slightly higher than that of isostructural MoP, which is due to larger phonon lifetimes and smaller Grüneisen parameters. Finally, the total thermal conductivity as a function of temperature is predicted for pristine ZrTe. Our works provide valuable

  20. Nucleation study for an undercooled melt of intermetallic NiZr

    NASA Astrophysics Data System (ADS)

    Kobold, R.; Kolbe, M.; Hornfeck, W.; Herlach, D. M.

    2018-03-01

    Electrostatic levitation is applied in order to undercool liquid glass forming NiZr significantly below its melting temperature. For NiZr large undercoolings are found to be highly reproducible with this experimental method. One single NiZr sample of high purity is undercooled 200 consecutive times which leads to a distribution function of undercooling temperatures. Within a statistical approach of classical nucleation theory, the undercooling distribution is analyzed yielding parameters, e.g., a pre-exponential factor of KV ≈ 1035 m-3 s-1, which indicates homogeneous nucleation. This result is consistent with the crystallization behavior of NiZr at high undercooling and with the corresponding microstructural analysis. Since NiZr is a representative of the very common CrB structure type, with 132 isostructural phases existing, understanding its nucleation behavior adds important knowledge to the nucleation of binary alloys in general.

  1. Milling assisted synthesis of calcium zirconate СаZrО3

    NASA Astrophysics Data System (ADS)

    Kalinkin, A. M.; Nevedomskii, V. N.; Kalinkina, E. V.; Balyakin, K. V.

    2014-08-01

    Monophase calcium zirconate (CaZrO3) has been prepared from the equimolar ZrO2 + CaCO3 mixture by two-step synthesis process. In the first step, mechanical treatment of the mixture is performed in an AGO-2 planetary ball mill. In the second step, the milled mixture is annealed to form calcium zirconate. High-energy ball milling of the (ZrO2+CaCO3) mixture results in decrease in the temperature of CaZrO3 formation during annealing at 950 °C. The enhancement of CaZrO3 synthesis is due to accumulation of excess energy by the reagents, decreasing the particle size and notable increase in the interphase area because of “smearing” of CaCO3 on ZrO2 particles during milling. Nanocrystalline calcium zirconate has been produced by controlling the annealing temperature and time.

  2. Insight into Oxide-Bridged Heterobimetallic Al/Zr Olefin Polymerization Catalysts.

    PubMed

    Boulho, Cédric; Zijlstra, Harmen S; Hofmann, Alexander; Budzelaar, Peter H M; Harder, Sjoerd

    2016-11-21

    Reaction of (TBBP)AlMe⋅THF with [Cp* 2 Zr(Me)OH] gave [(TBBP)Al(THF)-O-Zr(Me)Cp* 2 ] (TBBP=3,3',5,5'-tetra-tBu-2,2'-biphenolato). Reaction of [DIPPnacnacAl(Me)-O-Zr(Me)Cp 2 ] with [PhMe 2 NH] + [B(C 6 F 5 ) 4 ] - gave a cationic Al/Zr complex that could be structurally characterized as its THF adduct [(DIPPnacnac)Al(Me)-O-Zr(THF)Cp 2 ] + [B(C 6 F 5 ) 4 ] - (DIPPnacnac=HC[(Me)C=N(2,6-iPr 2 -C 6 H 3 )] 2 ). The first complex polymerizes ethene in the presence of an alkylaluminum scavenger but in the absence of methylalumoxane (MAO). The adduct cation is inactive under these conditions. Theoretical calculations show very high energy barriers (ΔG=40-47 kcal mol -1 ) for ethene insertion with a bridged AlOZr catalyst. This is due to an unfavorable six-membered-ring transition state, in which the methyl group bridges the metal and ethene with an obtuse metal-Me-C angle that prevents synchronized bond-breaking and making. A more-likely pathway is dissociation of the Al-O-Zr complex into an aluminate and the active polymerization catalyst [Cp* 2 ZrMe] + . © 2016 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  3. A First-Principles Study on the Vibrational and Electronic Properties of Zr-C MXenes

    NASA Astrophysics Data System (ADS)

    Wang, Chang-Ying; Guo, Yong-Liang; Zhao, Yuan-Yuan; Zeng, Guang-Li; Zhang, Wei; Ren, Cui-Lan; Han, Han; Huai, Ping

    2018-03-01

    Within the framework of density functional theory calculations, the structural, vibrational, and electronic properties of Zr n C n - 1 (n = 2, 3, and 4) and their functionalized MXenes have been investigated. We find that the most stable configurations for Zr-C MXene are the ones that the terminal groups F, O, and OH locate on the common hollow site of the superficial Zr layer and its adjacent C layer. F and OH-terminated Zr 3 C 2 and Zr 4 C 3 have small imaginary acoustic phonon branches around Γ point while the others have no negative phonon modes. The pristine MXenes (Zr 2 C, Zr 3 C 2 and Zr 4 C 3 ) are all metallic with large DOS contributed by the Zr atom at the Fermi energy. When functionalized by F, O and OH, new hybridization states appear and the DOS at the Fermi level are reduced. Moreover, we find that their metallic characteristic increases with an increase in n. For (Zr n C n - 1 )O 2, Zr 2 CO 2 is a semiconductor, Zr 3C2O2 is a semimetal, and Zr 4 C 3O2 becomes a metal. Supported by the National Natural Science Foundation of China under Grant Nos. 11605273, 21571185, U1404111, 11504089, 21501189, 21676291, the Shanghai Municipal Science and Technology Commission 16ZR1443100, the Strategic Priority Research Program of the Chinese Academy of Sciences (XDA02040104)

  4. Oxidation/reduction studies on Zr yU 1-yO 2+x and delineation of a new orthorhombic phase in U-Zr-O system

    NASA Astrophysics Data System (ADS)

    Sali, S. K.; Kulkarni, N. K.; Krishnan, K.; Achary, S. N.; Tyagi, A. K.

    2008-08-01

    In this communication, we report the oxidation and reduction behavior of fluorite type solid solutions in U-Zr-O. The maximum solubility of ZrO 2 in UO 2 lattice could be achieved with a mild oxidizing followed by reducing conditions. The role of valency state of U is more dominating in controlling the unit cell parameters than the incorporated interstitial oxygen in the fluorite lattice. The controlled oxidation studies on U-Zr-O solid solutions led to the delineation of a new distorted fluorite lattice at the U:Zr=2:1 composition. The detailed crystal structure analysis of this ordered composition Zr 0.33U 0.67O 2.33 (ZrU 2O 7) has been carried from the powder XRD data. This phase crystallizes in an orthorhombically distorted fluorite type lattice with unit cell parameters: a=5.1678(2), b=5.4848(2), c=5.5557(2) Å and V=157.47(1) Å 3 (Space group: Cmcm, No. 63). The metal ions have distorted cubical polyhedra with anion similar to the fluorite structure. The excess anions are occupied in the interstitial (empty cubes) of the fluorite unit cell. The crystal structure and chemical analyses suggest approximately equal fractions of U 4+ and U 6+ in this compound. The details of the thermal stability as well as kinetics of formation and oxidation of ZrU 2O 7 are also studied using thermogravimetry.

  5. Petawatt pulsed-power accelerator

    DOEpatents

    Stygar, William A.; Cuneo, Michael E.; Headley, Daniel I.; Ives, Harry C.; Ives, legal representative; Berry Cottrell; Leeper, Ramon J.; Mazarakis, Michael G.; Olson, Craig L.; Porter, John L.; Wagoner; Tim C.

    2010-03-16

    A petawatt pulsed-power accelerator can be driven by various types of electrical-pulse generators, including conventional Marx generators and linear-transformer drivers. The pulsed-power accelerator can be configured to drive an electrical load from one- or two-sides. Various types of loads can be driven; for example, the accelerator can be used to drive a high-current z-pinch load. When driven by slow-pulse generators (e.g., conventional Marx generators), the accelerator comprises an oil section comprising at least one pulse-generator level having a plurality of pulse generators; a water section comprising a pulse-forming circuit for each pulse generator and a level of monolithic triplate radial-transmission-line impedance transformers, that have variable impedance profiles, for each pulse-generator level; and a vacuum section comprising triplate magnetically insulated transmission lines that feed an electrical load. When driven by LTD generators or other fast-pulse generators, the need for the pulse-forming circuits in the water section can be eliminated.

  6. Manufacturing and High Heat Flux Testing of Brazed Flat-Type W/CuCrZr Plasma Facing Components

    NASA Astrophysics Data System (ADS)

    Lian, Youyun; Liu, Xiang; Feng, Fan; Chen, Lei; Cheng, Zhengkui; Wang, Jin; Chen, Jiming

    2016-02-01

    Water-cooled flat-type W/CuCrZr plasma facing components with an interlayer of oxygen-free copper (OFC) have been developed by using vacuum brazing route. The OFC layer for the accommodation of thermal stresses was cast onto the surface of W at a temperature range of 1150 °C-1200 °C in a vacuum furnace. The W/OFC cast tiles were vacuum brazed to a CuCrZr heat sink at 940 °C using the silver-free filler material CuMnSiCr. The microstructure, bonding strength, and high heat flux properties of the brazed W/CuCrZr joint samples were investigated. The W/Cu joint exhibits an average tensile strength of 134 MPa, which is about the same strength as pure annealed copper. High heat flux tests were performed in the electron beam facility EMS-60. Experimental results indicated that the brazed W/CuCrZr mock-up experienced screening tests of up to 15 MW/m2 and cyclic tests of 9 MW/m2 for 1000 cycles without visible damage. supported by National Natural Science Foundation of China (No. 11205049) and the National Magnetic Confinement Fusion Science Program of China (No. 2011GB110004)

  7. Interfacial free energy controlling glass-forming ability of Cu-Zr alloys.

    PubMed

    Kang, Dong-Hee; Zhang, Hao; Yoo, Hanbyeol; Lee, Hyun Hwi; Lee, Sooheyong; Lee, Geun Woo; Lou, Hongbo; Wang, Xiaodong; Cao, Qingping; Zhang, Dongxian; Jiang, Jianzhong

    2014-06-04

    Glass is a freezing phase of a deeply supercooled liquid. Despite its simple definition, the origin of glass forming ability (GFA) is still ambiguous, even for binary Cu-Zr alloys. Here, we directly study the stability of the supercooled Cu-Zr liquids where we find that Cu64Zr36 at a supercooled temperature shows deeper undercoolability and longer persistence than other neighbouring compositions with an equivalent driving Gibbs free energy. This observation implies that the GFA of the Cu-Zr alloys is significantly affected by crystal-liquid interfacial free energy. In particular, the crystal-liquid interfacial free energy of Cu64Zr36 in our measurement was higher than that of other neighbouring liquids and, coincidently a molecular dynamics simulation reveals a larger glass-glass interfacial energy value at this composition, which reflects more distinct configuration difference between liquid and crystal phase. The present results demonstrate that the higher crystal-liquid interfacial free energy is a prerequisite of good GFA of the Cu-Zr alloys.

  8. Doped ZrO2 for future lead free piezoelectric devices

    NASA Astrophysics Data System (ADS)

    Starschich, S.; Böttger, U.

    2018-01-01

    The ferroelectric and piezoelectric properties of doped ZrO2 prepared by chemical solution deposition (CSD) are investigated. Doping with different elements such as Mg, In, La, and Y leads to a stabilization of the constricted hysteresis. As shown in a previous work, for the constricted hysteresis of ZrO2, the piezoelectric response is significantly larger compared to ZrO2 with a normal hysteresis. The Mg doped ZrO2 shows a strong temperature and cycle stability. For the piezoelectric properties, a magnesium concentration of 7% shows the largest piezoelectric response with a piezoelectric coefficient of >10 pm/V, as well as the best cycle stability. Due to thicker films, which can be realized by the CSD technique, the shown doped ZrO2 films are a promising candidate for energy related applications such as piezoelectric energy harvesting as well as for microelectromechanical systems.

  9. New results in low-energy fusion of Ca 40 + Zr 90 , 92

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Stefanini, A. M.; Montagnoli, G.; Esbensen, H.

    Near- and sub-barrier fusion of various Ca + Zr isotopic combinations have been widely investigated. A recent analysis of 40Ca + 96Zr data has highlighted the importance of couplings to multiphonon excitations and to both neutron and proton transfer channels. Analogous studies of 40Ca + 90Zr tend to exclude any role of transfer couplings. However, the lowest measured cross section for this system is rather high (840μb). Here, a rather complete data set is available for 40Ca + 94Zr, while no measurement of 40Ca + 92Zr fusion has been performed in the past.

  10. New results in low-energy fusion of Ca 40 + Zr 90 , 92

    DOE PAGES

    Stefanini, A. M.; Montagnoli, G.; Esbensen, H.; ...

    2017-07-07

    Near- and sub-barrier fusion of various Ca + Zr isotopic combinations have been widely investigated. A recent analysis of 40Ca + 96Zr data has highlighted the importance of couplings to multiphonon excitations and to both neutron and proton transfer channels. Analogous studies of 40Ca + 90Zr tend to exclude any role of transfer couplings. However, the lowest measured cross section for this system is rather high (840μb). Here, a rather complete data set is available for 40Ca + 94Zr, while no measurement of 40Ca + 92Zr fusion has been performed in the past.

  11. Substitutional Cd and Cd-Oxygen Vacancy Complexes in ZrO2 and Ce-doped ZrO_2

    NASA Astrophysics Data System (ADS)

    Zacate, Matthew O.; Karapetrova, E.; Platzer, R.; Gardner, J. A.; Evenson, W. E.; Sommers, J. A.

    1996-03-01

    We are using Perturbed Angular Correlation Spectroscopy (PAC) to study oxygen vacancy (V_O) dynamics in tetragonal ZrO2 and Ce-doped ZrO_2. PAC requires a radioactive probe atom, Cd in this study, which sits substitutionally for a Zr ion. Cd is doubly-negatively charged relative to the lattice and attracts doubly-positively charged V_Os. Pure tetragonal zirconia exists only above 950 ^circC and in this temperature range, the V_Os are very mobile. Above 950 ^circC we observe V_Os rapidly hopping about the Cd allowing us to determine the VO concentration and the trapping energy. We have been Ce-doping to stabilize the tetragonal phase to lower temperature to determine the electric field gradient the Cd experiences due to a stationary V_O. As a consequence of the Ce-doping, we observe a local lattice distortion about the Cd which increases with Ce-doping.

  12. Water vapor effect on high-temperature oxidation behavior of Fe3Al intermetallics

    PubMed Central

    Chevalier, Sebastian; Juzon, Pitor; Przybylski, Kazimierz; Larpin, Jean-Pierre

    2009-01-01

    Fe3Al intermetallics (Fe3Al, Fe3Al-Zr, Fe3Al-Zr,Mo and Fe3Al-Zr, Mo, Nb) were oxidized at 950 °C in dry and humid (11 vol% water) synthetic air. Thermogravimetric measurements showed that the oxidation rates of the tested intermetallics were lower in humid air than in dry air (especially for Fe3Al-Zr, Mo and Fe3Al-Zr, Mo, Nb). The addition of small amounts of Zr, Mo or Nb improved the kinetics compared with that of the undoped Fe3Al. Fe3Al showed massive spallation, whereas Fe3Al-Zr, Fe3Al-Zr, Mo and Fe3Al-Zr, Mo, Nb produced a flat, adherent oxide layer. The rapid transformation of transient alumina into alpha alumina may explain the decrease in the oxidation rate in humid air. PMID:27877306

  13. Impact of the oxygen defects and the hydrogen concentration on the surface of tetragonal and monoclinic ZrO2 on the reduction rates of stearic acid on Ni/ZrO2.

    PubMed

    Foraita, Sebastian; Fulton, John L; Chase, Zizwe A; Vjunov, Aleksei; Xu, Pinghong; Baráth, Eszter; Camaioni, Donald M; Zhao, Chen; Lercher, Johannes A

    2015-02-02

    The role of the specific physicochemical properties of ZrO2 phases on Ni/ZrO2 has been explored with respect to the reduction of stearic acid. Conversion on pure m-ZrO2 is 1.3 times more active than on t-ZrO2 , whereas Ni/m-ZrO2 is three times more active than Ni/t-ZrO2 . Although the hydrodeoxygenation of stearic acid can be catalyzed solely by Ni, the synergistic interaction between Ni and the ZrO2 support causes the variations in the reaction rates. Adsorption of the carboxylic acid group on an oxygen vacancy of ZrO2 and the abstraction of the α-hydrogen atom with the elimination of the oxygen atom to produce a ketene is the key to enhance the overall rate. The hydrogenated intermediate 1-octadecanol is in turn decarbonylated to heptadecane with identical rates on all catalysts. Decarbonylation of 1-octadecanol is concluded to be limited by the competitive adsorption of reactants and intermediate. The substantially higher adsorption of propionic acid demonstrated by IR spectroscopy and the higher reactivity to O2 exchange reactions with the more active catalyst indicate that the higher concentration of active oxygen defects on m-ZrO2 compared to t-ZrO2 causes the higher activity of Ni/m-ZrO2 . © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  14. Electric resistivity and thermoelectricity of Ni-Nb-Zr and Ni-Nb-Zr-H glassy alloys

    NASA Astrophysics Data System (ADS)

    Fukuhara, Mikio; Inoue, Akihisa

    2010-09-01

    Electric resistivity ρ and thermoelectric power S of Ni 36Nb 24Zr 40 and (Ni 0.36Nb 0.24Zr 0.4) 90H 10 glassy alloys were investigated in temperature region between 1.5 and 300 K. After resistivity curves of both alloys increase gradually with decreasing temperature down to around 6 K, they dropped suddenly and then reached zero resistivity at 2.1 K, leading to superconductivity. Linear curve with negative TCR of ρ vs T2 and slight increase of S/ T in temperature region down to around 6 K clearly reveal Fermi-liquid phenomenon in electronic state for both alloys independent of hydrogen content.

  15. The new insight into the structure-activity relation of Pd/CeO2-ZrO2-Nd2O3 catalysts by Raman, in situ DRIFTS and XRD Rietveld analysis.

    PubMed

    Yang, X; Yang, L; Lin, J; Zhou, R

    2016-01-28

    Pd/CeO2-ZrO2-Nd2O3 (CZN) catalysts with different CeO2/ZrO2 molar ratios were synthesized and have been characterized by multiple techniques, e.g. XRD in combination with Rietveld refinement, UV-Raman, XPS and in situ DRIFTS. The XRD pattern of CZN with CeO2/ZrO2 molar ratios ≥1/2 can be indexed satisfactorily to the fluorite structure with a space group Fm3̄m, while the XRD patterns of CZ12 only display diffraction peaks of the tetragonal phase (S.G. P42/nmc). Nd addition can effectively stabilize the cubic structure of the CZN support and increase the enrichment of defect sites on the surface, which may be related to the better catalytic activity of Pd/CZN12 catalysts compared with Pd/CZ12. The presence of moderate ZrO2 can increase the concentration of O* active species, leading to accelerate the formation of nitrate species and thus enhance the catalytic activity of NOx and HC elimination. The Pd-dispersion decreases with the increasing Zr content, leading to the decreased CO catalytic activity, especially for the aged catalysts. The change regularity of the OSC value is almost the same with the in situ dynamic operational window, demonstrating that the in situ dynamic operational window is basically affected by the OSC value.

  16. Electronic structure in 1T-ZrS2 monolayer by strain

    NASA Astrophysics Data System (ADS)

    Xin, Qianqian; Zhao, Xu; Ma, Xu; Wu, Ninghua; Liu, Xiaomeng; Wei, Shuyi

    2017-09-01

    We report electronic structure of 1T-ZrS2 monolayer with biaxial strain from -10% to 15%, basing the first principles calculations. Our calculation results indicate that the band structure of ZrS2 monolayer was changed clearly. The location of conduction band minimum (CBM) and valence band maximum (VBM) changed with the variation of isotropic strain. At compressive strain, the location of CBM and VBM retains at M and Γ point, respectively. The band gap of ZrS2 monolayer decreases from 1.111 eV to 0 eV when compressive strain increases from 0% to -8%, which means that the ZrS2 monolayer turns to metal at -8% compressive strain. Under the tensile strain, the ZrS2 monolayer also retains be an indirect band gap semiconductor. The location of CBM moves from M to Γ point and the location of VBM moves along Γ-A-K-Γ direction. The band gap of ZrS2 monolayer firstly increases and then decreases and the biggest band gap is 1.577 eV at tensile strain 6%. We can see the compression strain is more effective than tensile strain in modulating band gap of 1T-ZrS2 monolayer.

  17. Impact of the oxygen defects and the hydrogen concentration on the surface of tetragonal and monoclinic ZrO2 on the reduction rates of stearic acid on Ni/ZrO2

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Foraita, Sebastian D.; Fulton, John L.; Chase, Zizwe A.

    2015-02-02

    The effect of the physicochemical properties of ZrO2 phases on the activity of Ni/ZrO2 catalysts for hydrodeoxygenation of stearic acid are described. A synergistic interaction between Ni and ZrO2 support was found. The effect is greatest for the monoclinic phase of ZrO2.

  18. Flying fish accelerate at 5 G to leap from the water surface

    NASA Astrophysics Data System (ADS)

    Yang, Patricia; Phonekeo, Sulisay; Xu, Ke; Chang, Shui-Kai; Hu, David

    2013-11-01

    Flying fish can both swim underwater and glide in air. Transitioning from swimming to gliding requires penetration of the air-water interface, or breaking the ``surface tension barrier,'' a formidable task for juvenile flying fish measuring 1 to 5 cm in length. In this experimental investigation, we use high-speed videography to characterize the kinematics of juvenile flying fish as they leap from the water surface. During this process, which lasts 0.05 seconds, flying fish achieve body accelerations of 5 times earth's gravity and gliding speeds of 1.3 m/s, an order of magnitude higher than their steady swimming speed. We rationalize this anomalously high speed on the basis of the hydrodynamic and surface tension forces and torques experienced by the fish. Specifically, leaping fish experience skin friction forces only on the submerged part of their body, permitting them to achieve much higher speeds than in steady underwater swimming. We also perform experiments using a towed flying fish mimc to determine optimality of various parameters in this process, including body angle and start position with respect to the water surface.

  19. Study of structural and magnetic properties of melt spun Nd2Fe13.6Zr0.4B ingot and ribbon

    NASA Astrophysics Data System (ADS)

    Amin, Muhammad; Siddiqi, Saadat A.; Ashfaq, Ahmad; Saleem, Murtaza; Ramay, Shahid M.; Mahmood, Asif; Al-Zaghayer, Yousef S.

    2015-12-01

    Nd2Fe13.6Zr0.4B hard magnetic material were prepared using arc-melting technique on a water-cooled copper hearth kept under argon gas atmosphere. The prepared samples, Nd2Fe13.6Zr0.4B ingot and ribbon are characterized using X-ray diffraction (XRD), scanning electron microscopy (SEM) for crystal structure determination and morphological studies, respectively. The magnetic properties of the samples have been explored using vibrating sample magnetometer (VSM). The lattice constants slightly increased due to the difference in the ionic radii of Fe and that of Zr. The bulk density decreased due to smaller molar weight and low density of Zr as compared to that of Fe. Ingot sample shows almost single crystalline phase with larger crystallite sizes whereas ribbon sample shows a mixture of amorphous and crystalline phases with smaller crystallite sizes. The crystallinity of the material was highly affected with high thermal treatments. Magnetic measurements show noticeable variation in magnetic behavior with the change in crystallite size. The sample prepared in ingot type shows soft while ribbon shows hard magnetic behavior.

  20. Optical and structural characterization of Ge clusters embedded in ZrO2

    NASA Astrophysics Data System (ADS)

    Agocs, E.; Zolnai, Z.; Rossall, A. K.; van den Berg, J. A.; Fodor, B.; Lehninger, D.; Khomenkova, L.; Ponomaryov, S.; Gudymenko, O.; Yukhymchuk, V.; Kalas, B.; Heitmann, J.; Petrik, P.

    2017-11-01

    The change of optical and structural properties of Ge nanoclusters in ZrO2 matrix have been investigated by spectroscopic ellipsometry versus annealing temperatures. Radio-frequency top-down magnetron sputtering approach was used to produce the samples of different types, i.e. single-layers of pure Ge, pure ZrO2 and Ge-rich-ZrO2 as well as multi-layers stacked of 40 periods of 5-nm-Ge-rich-ZrO2 layers alternated by 5-nm-ZrO2 ones. Germanium nanoclusters in ZrO2 host were formed by rapid-thermal annealing at 600-800 °C during 30 s in nitrogen atmosphere. Reference optical properties for pure ZrO2 and pure Ge have been extracted using single-layer samples. As-deposited multi-layer structures can be perfectly modeled using the effective medium theory. However, annealed multi-layers demonstrated a significant diffusion of elements that was confirmed by medium energy ion scattering measurements. This fact prevents fitting of such annealed structure either by homogeneous or by periodic multi-layer models.

  1. Experimental investigation of 150-KG-scale corium melt jet quenching in water

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Magallon, D.; Hohmann, H.

    This paper compares and discusses the results of two large scale FARO quenching tests known as L-11 and L-14, which involved, respectively, 151 kg of W% 76.7 UO{sub 2} + 19.2 ZrO{sub 2} + 4.1 Zr and 125 kg of W% 80 UO{sub 2} + 20 ZrO{sub 2} melts poured into 600-kg, 2-m-depth water at saturation at 5.0 MPa. The results are further compared with those of two previous tests performed using a pure oxidic melt, respectively 18 and 44 kg of W% 80 UO{sub 2} + 20 ZrO{sub 2} melt quenched in 1-m-depth water at saturation at 5.0 MPa.more » In all the tests, significant breakup and quenching took place during the melt fall through the water. No steam explosion occurred. In the tests performed with a pure oxide UO{sub 2}-ZrO{sub 2} melt, part of the corium (from 1/6 to 1/3) did not breakup and reached the bottom plate still molten whatever the water depth was. Test L-11 data suggest that full oxidation and complete breakup of the melt occurred during the melt fall through the water. A proportion of 64% of the total energy content of the melt was released to the water during this phase ({approximately}1.5 s), against 44% for L-14. The maximum temperature increase of the bottom plate was 330 K (L-14). The mean particle size of the debris ranged between 2.5 and 4.8mm.« less

  2. Mechanical behavior, electronic and phonon properties of ZrB12 under pressure

    NASA Astrophysics Data System (ADS)

    Li, Xiao-Hong; Yong, Yong-Liang; Cui, Hong-Ling; Zhang, Rui-Zhou

    2018-06-01

    The mechanical, phonon and electronic properties of ZrB12 under pressure are investigated by first-principles calculations. The research shows that ZrB12 is mechanically and dynamically stable up to 100 GPa. The elastic constants, bulk modulus B, shear modulus G, hardness Hv, B/G ratio, Debye temperature under different pressures are systematically investigated. The calculation of electronic properties shows that ZrB12 has metallic character. The Zr-d states dominate the DOS at the Fermi level, and the total DOS and PDOS change slightly with the increasing pressure. DOS (Ef) first decreases, then increases with the increasing pressure. At 50 GPa, ZrB12 has less electron carriers. The analysis of electron localization function shows that the strong B-B and Zr-B covalent bonds may be responsible for the high hardness and stability.

  3. Effects of Al3(Sc,Zr) and Shear Band Formation on the Tensile Properties and Fracture Behavior of Al-Mg-Sc-Zr Alloy

    NASA Astrophysics Data System (ADS)

    Huang, Hongfeng; Jiang, Feng; Zhou, Jiang; Wei, Lili; Qu, Jiping; Liu, Lele

    2015-11-01

    The mechanical properties and microstructures of Al-6Mg-0.25Sc-0.1Zr alloy (wt.%) during annealing were investigated by means of uniaxial tensile testing, optical microscope, scanning electron microscope, transmission electron microscope, and high-resolution transmission electron microscope. The results show that a large number of micro and grain-scale shear bands form in this alloy after cold rolling. As the tensile-loading force rises, strain softening would generate in shear bands, resulting in the occurrence of shear banding fracture in cold-rolled Al-Mg-Sc-Zr alloys. Recrystallization takes place preferentially in shear bands during annealing. Due to the formation of coarse-grain bands constructed by new subgrains, recrystallization softening tends to occur in these regions. During low-temperature annealing, recrystallization is inhibited by nano-scale Al3(Sc,Zr) precipitates which exert significant coherency strengthening and modulus hardening. However, the strengthening effect of Al3(Sc,Zr) decreases with the increasing of particle diameter at elevated annealing temperature. The mechanical properties of the recrystallized Al-Mg-Sc-Zr alloy decrease to a minimum level, and the fracture plane exhibits pure ductile fracture characteristics.

  4. XAFS Study of Molten ZrCl4 in LiCl-KCl Eutectic

    NASA Astrophysics Data System (ADS)

    Okamoto, Yoshihiro; Motohashi, Haruhiko

    2002-05-01

    The local structure of motlen ZrCl4 in LiCl-KCl eutectic was investigated by using an X-ray absorption fine structure (XAFS) of the Zr K-absorption edge. The nearest Zr4+-Cl- distance and coordination number from the curve fitting analysis were (2.51±0.02) Å and 5.9±0.6, respectively. These suggest that a 6-fold coordination (ZrCl6)2- is predominant in the molten mixture.

  5. A simple method for the sonochemical synthesis of PVA/ZrO2-vitamin B1 nanocomposites: Morphology, mechanical, thermal and wettability investigations.

    PubMed

    Mallakpour, Shadpour; Shafiee, Elaheh

    2018-01-01

    Poly(vinyl alcohol) (PVA) based nanocomposites (NCs) filled by various weight percent of modified ZrO 2 nanoparticles (NPs) with vitamin B 1 (VB 1 ) up to 7wt% were fabricated via ultrasonication method then was cast to thin films. The ultrasonication was applied for the preparation and modification process asan easy, safe and fast method. Ultrasonic was responsible for great homogeneities of NPs into PVA matrix, which could not be achieved by mechanical or magnetically stirring. The creation of polymer NCs and changes in the structural properties were examined by X-ray diffraction. FT-IR spectroscopy indicated the possible interactions of the ZrO 2 -VB 1 NPs with the PVA backbones and also, existence of absorption bands related to PVA and ZrO 2 NPs in the NC structures. The distribution of nano-fillers and uniform morphology of the NCs showed that the ZrO 2 -VB 1 NPs were homogeneously dispersed in the polymer matrix in the nanosized scale. UV-Vis analysis shown that the the optical absorption were improved by evolution of ZrO 2 -VB 1 NPs content. The tensile strength of PVA film was increased significantly with increasing the ZrO 2 -VB 1 NPs content. Thermal gravimetric analysis confirmed that NCs displayed higher thermal stability than the pristine PVA. Also, water contact angle analysis indicated that the hydrophilicity of NC films was enhanced with increasing the concentration of ZrO 2 NPs. Copyright © 2017 Elsevier B.V. All rights reserved.

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

    DOE PAGES

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

    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), Cu 51Zr 14(β), CuZr(B 2), CuZr 2(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 andmore » 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.« less

  7. Search for the β decay of 96Zr

    NASA Astrophysics Data System (ADS)

    Finch, S. W.; Tornow, W.

    2016-01-01

    96Zr and 48Ca are unique among double-β decay candidate nuclides in that they may also undergo single-β decay. In the case of 96Zr, the single-β decay mode is dominated by the fourth-forbidden β decay with a 119 keV Q value. A search was conducted for the β decay of 96Zr by observing the decay of the daughter 96Nb nucleus. Two coaxial high-purity germanium detectors were used in coincidence to detect the γ-ray cascade produced by the daughter nucleus as it de-excited to the ground state. The experiment was carried out at the Kimballton Underground Research Facility and produced 685.7 days of data with a 17.91 g enriched sample. No counts were seen above background, producing a limit of T1/2 > 2.4 ×1019 year. This is the first experimental search that is able to discern between the β decay and the double-β decay to an excited state of 96Zr.

  8. Al-centered icosahedral ordering in Cu46Zr46Al8 bulk metallic glass

    NASA Astrophysics Data System (ADS)

    Fang, H. Z.; Hui, X.; Chen, G. L.; Liu, Z. K.

    2009-03-01

    Icosahedral short-range order, of which Al atoms are caged in the center of icosahedra with Cu and Zr atoms being the vertices, has been evidenced in the Cu46Zr46Al8 glassy structure by ab initio molecular dynamics simulation. These Al-centered clusters distribute irregularly in the three-dimensional space and form a "backbone" structure of the Cu46Zr46Al8 glass alloy. It is suggested that this kind of local structural feature is attributed to the requirement of efficient dense packing and the chemical affinity between Zr-Zr, Zr-Al, and Cu-Zr atoms. Our calculated results are found to be in good agreement with the experimental data.

  9. Ecological-site based assessments of wind and water erosion: informing management of accelerated soil erosion in rangelands

    NASA Astrophysics Data System (ADS)

    Webb, N.; Herrick, J.; Duniway, M.

    2013-12-01

    This work explores how soil erosion assessments can be structured in the context of ecological sites and site dynamics to inform systems for managing accelerated soil erosion. We evaluated wind and water erosion rates for five ecological sites in southern New Mexico, USA, using monitoring data and rangeland-specific wind and water erosion models. Our results show that wind and water erosion can be highly variable within and among ecological sites. Plots in shrub-encroached and shrub-dominated states were consistently susceptible to both wind and water erosion. However, grassland plots and plots with a grass-succulent mix had a high indicated susceptibility to wind and water erosion respectively. Vegetation thresholds for controlling erosion are identified that transcend the ecological sites and their respective states. The thresholds define vegetation cover levels at which rapid (exponential) increases in erosion rates begin to occur, suggesting that erosion in the study ecosystem can be effectively controlled when bare ground cover is <20% of a site or total ground cover is >50%. Similarly, our results show that erosion can be controlled when the cover of canopy interspaces >50 cm in length reaches ~50%, the cover of canopy interspaces >100 cm in length reaches ~35% or the cover of canopy interspaces >150 cm in length reaches ~20%. This process-based understanding can be applied, along with knowledge of the differential sensitivity of vegetation states, to improve erosion management systems. Land use and management activities that alter cover levels such that they cross thresholds, and/or drive vegetation state changes, may increase the susceptibility of sites to erosion. Land use impacts that are constrained within the natural variability of sites should not result in accelerated soil erosion. Evaluating land condition against the erosion thresholds and natural variability of ecological sites will enable improved identification of where and when accelerated soil

  10. Enhanced shock wave generation via pre-breakdown acceleration using water electrolysis in negative streamer pulsed spark discharges

    NASA Astrophysics Data System (ADS)

    Lee, Kern; Chung, Kyoung-Jae; Hwang, Y. S.

    2018-03-01

    This paper presents a method for enhancement of shock waves generated from underwater pulsed spark discharges with negative (anode-directed) subsonic streamers, for which the pre-breakdown process is accelerated by preconditioning a gap with water electrolysis. Hydrogen microbubbles are produced at the cathode by the electrolysis and move towards the anode during the preconditioning phase. The numbers and spatial distributions of the microbubbles vary with the amplitude and duration of each preconditioning pulse. Under our experimental conditions, the optimum pulse duration is determined to be ˜250 ms at a pulse voltage of 400 V, where the buoyancy force overwhelms the electric force and causes the microbubbles to be swept out from the water gap. When a high-voltage pulse is applied to the gap just after the preconditioning pulse, the pre-breakdown process is significantly accelerated in the presence of the microbubbles. At the optimum preconditioning pulse duration, the average breakdown delay is reduced by 87% and, more importantly, the energy consumed during the pre-breakdown period decreases by 83%. This reduced energy consumption during the pre-breakdown period, when combined with the morphological advantages of negative streamers, such as thicker and longer stalks, leads to a significant improvement in the measured peak pressure (˜40%) generated by the underwater pulsed spark discharge. This acceleration of pre-breakdown using electrolysis overcomes the biggest drawback of negative subsonic discharges, which is slow vapor bubble formation due to screening effects, and thus enhances the efficiency of the shock wave generation process using pulsed spark discharges in water.

  11. Mechanism of abnormally slow crystal growth of CuZr alloy

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Yan, X. Q.; Lü, Y. J., E-mail: yongjunlv@bit.edu.cn; State Key Laboratory of Silicon Materials, Zhejiang University, Hangzhou 310027

    2015-10-28

    Crystal growth of the glass-forming CuZr alloy is shown to be abnormally slow, which suggests a new method to identify the good glass-forming alloys. The crystal growth of elemental Cu, Pd and binary NiAl, CuZr alloys is systematically studied with the aid of molecular dynamics simulations. The temperature dependence of the growth velocity indicates the different growth mechanisms between the elemental and the alloy systems. The high-speed growth featuring the elemental metals is dominated by the non-activated collision between liquid-like atoms and interface, and the low-speed growth for NiAl and CuZr is determined by the diffusion across the interface. Wemore » find that, in contrast to Cu, Pd, and NiAl, a strong stress layering arisen from the density and the local order layering forms in front of the liquid-crystal interface of CuZr alloy, which causes a slow diffusion zone. The formation of the slow diffusion zone suppresses the interface moving, resulting in much small growth velocity of CuZr alloy. We provide a direct evidence of this explanation by applying the compressive stress normal to the interface. The compression is shown to boost the stress layering in CuZr significantly, correspondingly enhancing the slow diffusion zone, and eventually slowing down the crystal growth of CuZr alloy immediately. In contrast, the growth of Cu, Pd, and NiAl is increased by the compression because the low diffusion zones in them are never well developed.« less

  12. Zr-Containing 4,4'-ODA/PMDA Polyimide Composites. Parts 1 & 2

    NASA Technical Reports Server (NTRS)

    Illingsworth, M. L.; Betancourt, J. A.; Chen, Y.; Terschak, J. A.; Banks, B. A.; Rutledge, S. K.; Cales, M.; He, L.

    2001-01-01

    The objective of this research is to improve the atomic oxygen resistance of Kapton(TM), a polyimide (PI) made from pyromellitic acid dianhydride (PMDA) and 4,4'-oxydianiline (ODA), while retaining or enhancing the desirable properties of the pure polymer. Toward this end, zirconium-containing complexes and polymers were used to make composites and blends. Tetra(acetylacetonato)zirconium(IV), Zr(acac)4, which is commercially available, was identified as the best zirconium-containing complex for enhancing the atomic oxygen resistance of polyimide composites of the 10 complexes screened. Films prepared from the commercially available polyamic acid (PAA) of PMDA-ODA (DuPont) have good uniformity, flexibility, and tensile strength. A 24-layer 10% (mol) Zr(acac)4/PI composite film showed significant improvement (ca. 20 fold) of atomic oxygen resistance over the pure polyimide. However, 10% (mol) Zr(acac)4 represents an upper concentration limit, above which films undergo cracking upon thermal imidization. In order to increase the Zr complex concentration in PMDA-ODA PI films, while retaining good film properties, [Zr(adsp)2-PMDA]n coordination polymer [bis(4-amino-N,N'-disalicylidene- 1,2-phenylenediamino)zirconium(IV)-pyromellitic dianhydride] and [Zr(adsp)2-PMDA-ODA-PMDA]n terpolymer were synthesized and blended with commercial PAA, respectively. Several techniques were used to characterize the films made from the polymer containing Zr(acac)4. Plasma studies of films having 2% (mol) incremental concentrations of Zr in the Kapton up to 10% (mol) show that the overall rate of erosion is reduced about 75 percent.

  13. Thermal expansion of phosphates with the NaZr{sub 2}(PO{sub 4}){sub 3} structure containing lanthanides and zirconium: R{sub 0.33}Zr{sub 2}(PO{sub 4}){sub 3} (R = Nd, Eu, Er) and Er{sub 0.33(1–x)} Zr{sub 0.25x}Zr{sub 2}(PO{sub 4}){sup 3}

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Volgutov, V. Yu., E-mail: Valeriy.Volgutov@inbox.ru; Orlova, A. I.

    Phosphates R{sub 0.33}Zr{sub 2}(PO{sub 4}){sub 3} (R = Nd, Eu, or Er) and Er{sub 0.33(1–x)}Zr{sub 0.25}Zr{sub 2}(PO{sub 4}){sub 3} (x = 0, 0.25, 0.5, 0.75, 1.0) of the NaZr{sub 2}(PO{sub 4}){sub 3} family have been synthesized and investigated by high-temperature X-ray diffraction. The crystallochemical approach is used to obtain compounds with expected small and controllable thermal-expansion parameters. Phosphates with close-to-zero thermal-expansion parameters, including those with low thermal-expansion anisotropy, have been obtained: Nd{sub 0.33}Zr{sub 2}(PO{sub 4}){sub 3} with α{sub a} =–2.21 × 10{sup −6} °C{sup −1}, α{sub c} = 0.81 × 10{sup −6} °C{sup −1}, and Δα = 3.02 × 10{supmore » −6} °C{sup –1} and Er{sub 0.08}Zr{sub 0.19}Zr{sub 2}(PO{sub 4}){sub 3} with α{sub a} =–1.86 × 10{sup −6} °C{sup −1}, α{sub c} = 1.73 × 10{sup −6} °C{sup −1}, and Δα = 3.58 × 10{sup −6} °C{sup −1}.« less

  14. Formation and structure of Al-Zr metallic glasses studied by Monte Carlo simulations

    NASA Astrophysics Data System (ADS)

    Li, J. H.; Zhao, S. Z.; Dai, Y.; Cui, Y. Y.; Liu, B. X.

    2011-06-01

    Based on the recently constructed n-body potential, both molecular dynamics and Monte Carlo simulations revealed that the Al-Zr amorphous alloy or metallic glass can be obtained within the composition range of 24-66 at. % Zr. The revealed composition range could be considered the intrinsic glass-forming range and it quantitatively indicates the glass-forming ability of the Al-Zr system. The underlying physics of the finding is that, within the composition range, the amorphous alloys are energetically favored to form. In addition, it is proposed that the energy difference between a solid solution and the amorphous phase could serve as the driving force of the crystalline to amorphous transition and the driving force should be sufficiently large for amorphization to take place. The minimum driving forces for fcc Al-based and hcp Zr-based Al-Zr solid solutions to amorphize are calculated to be about -0.05 and -0.03 eV/atom, respectively, whereas the maximum driving force is found to be -0.23 eV/atom at the alloy stoichiometry of Al60Zr40. A thermodynamics parameter γ¯, defined as the ratio of the driving force to the formation energy of the solid solution, is further proposed to indicate the glass-forming ability of an Al-Zr alloy. Thermodynamics calculations show that the glass-forming ability of the Al56Zr44 alloy is the largest, implying that the Al56Zr44 amorphous alloy is more ready to form than other alloys in the Al-Zr system. Besides, Voronoi analysis found that there exists a strong correlation between the coordinate number and structure. Amorphization could result in increase of coordinate numbers and about 1.5% volume-expansion. The volume-expansion induced by amorphization can be attributed to two factors, i.e., the total bond number of the Al-Zr amorphous phase is greater than that of the corresponding solid solution, and the averaged bond length of the Al-Zr amorphous phase is longer than that of the corresponding solid solution. For the Al-Zr alloys

  15. Impedance of (CoFeZr)0,559(PbZrTiO3)0,441 nanocomposite annealed in a tubular furnace

    NASA Astrophysics Data System (ADS)

    Boiko, Oleksandr

    2016-12-01

    The objective of the present research has been to determine the influence of annealing in tubular furnace on capacity of (CoFeZr)0,559(PbZrTiO3)0,441 nanocomposite produced by ion beam sputtering using combined argon and oxygen beam. The phase angle of the nanocomposite directly after preparing demonstrates negative values, which indicates the capacitive type of electrical conductivity of the material. The rapid increase of conductivity when frequency increases indicates hopping conductance in the material. The additional polarization of the nanocomposite occurs with its extinction in the area of high frequencies. The electrons relaxation time has been defined as of ca τ = 1,25×10-4 s. Annealing of nanocomposite sample x = 55.9 at.% at temperature Ta = 548 K causes phase angle obtains positive values in high frequency area, which indicates the change of conduction type from capacitive to inductive. The voltage resonance phenomenon occurs in the material. Annealing in temperature of Ta = 648 K causes changes of the nanomaterials capacity. The additional oxidization of CoFeZr metallic phase nanograins which provides to the potential barrier formation around potential wells (CoFeZr nanoparticles).

  16. [Catalytic performance of Ce/Zr series catalysts on soot combustion].

    PubMed

    Zhu, Ling; Wang, Xue-Zhong; Hao, Zheng-Ping

    2005-09-01

    Catalytic performances of Ce/Zr series catalysts (Ce(x)Zr(1-x)O2) on soot combustion and the influence of feed gas were investigated by TG and TPO. The catalytic activity is high, and affects by the Ce/Zr ratio. The concentration of O2 affects the speed-limited step during the process of soot combustion. H2O showed no effect on the catalytic activity for soot combustion on Ce(0.5)Zr(0.5)O2. NO could promote soot combustion by presenting NO2, a more powerful oxidant than O2, and the ignition temperature of soot decreased 30 degrees C. Results of TG and TPO show that the beta species oxygen on the catalyst take part in the combustion process.

  17. CuCrZr alloy microstructure and mechanical properties after hot isostatic pressing bonding cycles

    NASA Astrophysics Data System (ADS)

    Frayssines, P.-E.; Gentzbittel, J.-M.; Guilloud, A.; Bucci, P.; Soreau, T.; Francois, N.; Primaux, F.; Heikkinen, S.; Zacchia, F.; Eaton, R.; Barabash, V.; Mitteau, R.

    2014-04-01

    ITER first wall (FW) panels are a layered structure made of the three following materials: 316L(N) austenitic stainless steel, CuCrZr alloy and beryllium. Two hot isostatic pressing (HIP) cycles are included in the reference fabrication route to bond these materials together for the normal heat flux design supplied by the European Union (EU). This reference fabrication route ensures sufficiently good mechanical properties for the materials and joints, which fulfil the ITER mechanical specifications, but often results in a coarse grain size for the CuCrZr alloy, which is not favourable, especially, for the thermal creep properties of the FW panels. To limit the abnormal grain growth of CuCrZr and make the ITER FW fabrication route more reliable, a study began in 2010 in the EU in the frame of an ITER task agreement. Two material fabrication approaches have been investigated. The first one was dedicated to the fabrication of solid CuCrZr alloy in close collaboration with an industrial copper alloys manufacturer. The second approach investigated was the manufacturing of CuCrZr alloy using the powder metallurgy (PM) route and HIP consolidation. This paper presents the main mechanical and microstructural results associated with the two CuCrZr approaches mentioned above. The mechanical properties of solid CuCrZr, PM CuCrZr and joints (solid CuCrZr/solid CuCrZr and solid CuCrZr/316L(N) and PM CuCrZr/316L(N)) are also presented.

  18. High-field superconductivity in the Nb-Ti-Zr ternary system

    NASA Astrophysics Data System (ADS)

    Ralls, K. M.; Rose, R. M.; Wulff, J.

    1980-06-01

    Resistive critical current densities, critical fields, and normal-state electrical resistivities were obtained at 4.2 °K for 55 alloys in the Nb-Ti-Zr ternary alloy system, excepting Ti-Zr binary compositions. The resistive critical field as a function of ternary composition has a saddle point between the Nb-Ti and Nb-Zr binaries, so that ternary alloying in this system is not expected to result in higher critical fields than the binary alloys.

  19. Corrosion Performance of Nano-ZrO₂ Modified Coatings in Hot Mixed Acid Solutions.

    PubMed

    Xu, Wenhua; Wang, Zhenyu; Han, En-Hou; Wang, Shuai; Liu, Qian

    2018-06-01

    A nano-ZrO₂ modified coating system was prepared by incorporation of nano-ZrO₂ concentrates into phenolic-epoxy resin. The corrosion performance of the coatings was evaluated in hot mixed acid solution, using electrochemical methods combined with surface characterization, and the effects of nano-ZrO₂ content were specially focused on. The results showed that 1% and 3% nano-ZrO₂ addition enhanced the corrosion resistance of the coatings, while 5% nano-ZrO₂ addition declined it. The coating with 3% nano-ZrO₂ presented the minimum amount of species diffusion, the lowest average roughness (5.94 nm), and the highest C/O ratio (4.55) and coating resistance, and it demonstrated the best corrosion performance among the coating specimens.

  20. Study on preferred crystal orientations of Mg-Zr-O composite protective layer in AC-PDP

    NASA Astrophysics Data System (ADS)

    Bingang, G.; Chunliang, L.; Zhongxiao, S.; Liu, L.; Yufeng, F.; Xing, X.; Duowang, F.

    2006-11-01

    In order to study the preferred crystal orientations of Mg-Zr-O composite protective layers in PDP, Mg-Zr-O composite protective layers were deposited by Electron-beam Evaporator using (MgO+ZrO{2}) powder mixture as evaporation source material. X-ray diffractometer (XRD) was used to determine preferred crystal orientations of Mg-Zr-O composite protective layers, surface morphologies of films were analyzed by FESEM and voltage characteristics were examined in a testing macroscopic discharge cell of AC-PDP. On the basis of experimental analysis, the influence of oxide addition and deposition conditions on preferred orientations of Mg-Zr-O composite protective layers were investigated. The results showed that the preferred orientations of Mg-Zr-O films were determined by lattice distortion of MgO crystal. The deposition conditions have great effects on the preferred orientations of Mg-Zr-O films. The preferred orientations affect voltage characteristics through affecting surface morphology of Mg-Zr-O films. A small amount of Zr solution in MgO can decrease firing voltage compared with using pure MgO film. Firing voltage is closely related with the [ ZrO{2}/(MgO+ZrO{2})] ratio of evaporation source materials.

  1. Identification of phases in the interaction layer between U-Mo-Zr/Al and U-Mo-Zr/Al-Si

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Varela, C.L. Komar; Arico, S.F.; Mirandou, M.

    Out-of-pile diffusion experiments were performed between U-7wt.% Mo-1wt.% Zr and Al or Al A356 (7,1wt.% Si) at 550 deg. C. In this work morphological characterization and phase identification on both interaction layer are presented. They were carried out by the use of different techniques: optical and scanning electron microscopy, X-Ray diffraction and WDS microanalysis. In the interaction layer U-7wt.% Mo-1wt.% Zr/Al, the phases UAl{sub 3}, UAl{sub 4}, Al{sub 20}Mo{sub 2}U and Al{sub 43}Mo{sub 4}U{sub 6} were identified. In the interaction layer U-7wt.% Mo-1wt.% Zr/Al A356, the phases U(Al, Si) with 25at.% Si and Si{sub 5}U{sub 3} were identified. This lastmore » phase, with a higher Si concentration, was identified with XRD Synchrotron radiation performed at the National Synchrotron Light Laboratory (LNLS), Campinas, Brasil. (author)« less

  2. Adsorption of phosphate in water using one-step synthesized zirconium-loaded reduced graphene oxide

    NASA Astrophysics Data System (ADS)

    Luo, Xin; Wang, Xiurong; Bao, Shaopan; Liu, Xiawei; Zhang, Weicheng; Fang, Tao

    2016-12-01

    In this account, a one-step green hydrothermal method for zirconium-loaded reduced graphene oxide (RGO-Zr) adsorbent was developed in pure water. It is based on the formation of initially strong-coupling RGO-Zr nanocomposites followed by in situ reduction of GO to RGO during the hydrothermal treatment. The phosphate adsorption performance of the as-prepared nanocomposites was investigated in aqueous environment under various conditions. The characterization results of RGO-Zr nanocomposites showed that ZrO2 was successfully integrated onto the RGO sheets in amorphous. The data from equilibrium phosphate adsorption on RGO-Zr revealed that the adsorption kinetics followed a pseudo-second-order kinetic model, where the adsorption isotherm fitted the Langmuir isotherm model with a maximum adsorption capacity of 27.71 mg P/g at pH 5 and 298 K. The improved phosphate adsorption on RGO-Zr was caused by the dispersion of ZrO2 on the RGO surface. Furthermore, the phosphate adsorption was found insensitive to the increase in pH while it was sensitive to the increase in temperature. The coexisting anions of SO42-, F-, Cl-, NO3- and CO32- affected the phosphate adsorption in a different way. Results suggest that the present RGO-Zr adsorbent has the potential for controlling phosphorus pollution in water.

  3. First-principles study of crystallographic slip modes in ω-Zr.

    PubMed

    Kumar, Anil; Kumar, M Arul; Beyerlein, Irene J

    2017-08-21

    We use first-principles density functional theory to study the preferred modes of slip in the high-pressure ω phase of Zr. The generalized stacking fault energy surfaces associated with shearing on nine distinct crystallographic slip modes in the hexagonal ω-Zr crystal are calculated, from which characteristics such as ideal shear stress, the dislocation Burgers vector, and possible accompanying atomic shuffles, are extracted. Comparison of energy barriers and ideal shear stresses suggests that the favorable modes are prismatic 〈c〉, prismatic-II [Formula: see text] and pyramidal-II 〈c + a〉, which are distinct from the ground state hexagonal close packed α phase of Zr. Operation of these three modes can accommodate any deformation state. The relative preferences among the identified slip modes are examined using a mean-field crystal plasticity model and comparing the calculated deformation texture with the measurement. Knowledge of the basic crystallographic modes of slip is critical to understanding and analyzing the plastic deformation behavior of ω-Zr or mixed α-ω phase-Zr.

  4. First-principles study of crystallographic slip modes in ω-Zr

    DOE PAGES

    Kumar, Anil; Kumar, M. Arul; Beyerlein, Irene Jane

    2017-08-21

    We use first-principles density functional theory to study the preferred modes of slip in the high-pressure ω phase of Zr. The generalized stacking fault energy surfaces associated with shearing on nine distinct crystallographic slip modes in the hexagonal ω-Zr crystal are calculated, from which characteristics such as ideal shear stress, the dislocation Burgers vector, and possible accompanying atomic shuffles, are extracted. Comparison of energy barriers and ideal shear stresses suggests that the favorable modes are prismatic < c >, prismatic-II <101¯0> and pyramidal-II < c+a >, which are distinct from the ground state hexagonal close packed α phase of Zr.more » Operation of these three modes can accommodate any deformation state. The relative preferences among the identified slip modes are examined using a mean-field crystal plasticity model and comparing the calculated deformation texture with the measurement. In conclusion, knowledge of the basic crystallographic modes of slip is critical to understanding and analyzing the plastic deformation behavior of ω-Zr or mixed α-ω phase-Zr.« less

  5. Intrinsic Properties and Structure of AB2 Laves Phase ZrW2

    NASA Astrophysics Data System (ADS)

    Wu, Junyan; Zhang, Bo; Zhan, Yongzhong

    2017-06-01

    Using the first-principle calculations along with the quasi-harmonic Debye model, we explore the structural, thermodynamic, mechanical, and electronic properties of ZrW2 intermetallic considering temperature or pressure effect. The computed equilibrium lattice parameter here is highly consistent with previous available results. The obtained formation enthalpy reveals that the ZrW2 is structurally stable in the pressure range of 0 to 100 GPa. The pressure and temperature dependences of V/ V 0 ratio, constant volume specific heat capacity, thermal expansion coefficient, and Debye temperature of ZrW2 have been obtained. The calculated minimum thermal conductivity k min of ZrW2 is fairly small and shows anisotropy, which implies that ZrW2 has promising thermal-insulating application in engineering and may be competent for the thermal barrier materials. Moreover, from the results of elastic properties, we found the ZrW2 is mechanically stable and exhibits elastic anisotropy and the extent of elastic anisotropy increases with pressure. Additionally, ZrW2 shows ductile nature and its mechanical moduli all enhance as pressure increases, which is further confirmed by the findings from the electronic properties.

  6. X ray photoelectron spectroscopy (XPS) analysis of Photosensitive ZrO2 array

    NASA Astrophysics Data System (ADS)

    Li, Y.; Zhao, G.; Zhu, R.; Kou, Z.

    2018-03-01

    Based on organic zirconium source as the starting material, by adding chemical modifiers which are made up with photosensitive ZrO2 sol. A uniformed ZrO2 array dot was fabricated with a mean diameter of around 800 nm. By using UV-vis spectra and X-ray photoelectron spectroscopy analysis method, studies the photosensitive ZrO2 gel film of photochemical reaction process and the photosensitive mechanism, to determine the zirconium atom centered chelate structure, reaction formed by metal chelate Zr atom for the center, and to establish the molecular model of the chelate. And studied the ultraviolet light in the process of the variation of the XPS spectra, Zr3d5/2 to 184.9 eV corresponding to the binding energy of the as the combination of state peak gradually reduce; By combining with the status of Zr-O peak gradually increase; The strength of the peak is gradually decline. This suggests that in the process of ultraviolet light photo chemical reaction happened. This study is of great significance to the micro fabrication of ZrO2 array not only to the memory devices but also to the optical devices.

  7. Synthesis and thermoelectric properties of tantalum-doped ZrNiSn half-Heusler alloys

    NASA Astrophysics Data System (ADS)

    Zhao, Degang; Zuo, Min; Wang, Zhenqing; Teng, Xinying; Geng, Haoran

    2014-04-01

    The Ta-doped ZrNiSn half-Heusler alloys, Zr1-xTaxNiSn, were synthesized by arc melting and hot-press sintering. Microstructure of Zr1-xTaxNiSn compounds were analyzed and the thermoelectric (TE) properties of Zr1-xTaxNiSn compounds were measured from room temperature to 823 K. The electrical conductivity increased with increasing Ta content. The Seebeck coefficient of Zr1-xTaxNiSn compounds was sharply decreased with increasing Ta content. The Hall mobility was proportional to T-1.5 above 673 K, indicating that the acoustic phonon scattering was predominant in the temperature range. The thermal conductivity was effectively depressed by introducing Ta substitution. The figure of merit of ZrNiSn compounds was improved due to the decreased thermal conductivity and increased electrical conductivity. The maximum ZT value of 0.60 was achieved for Zr0.97Ta0.03NiSn sample at 823 K.

  8. ZrO2-Nanoparticle-Modified Graphite Felt: Bifunctional Effects on Vanadium Flow Batteries.

    PubMed

    Zhou, Haipeng; Shen, Yi; Xi, Jingyu; Qiu, Xinping; Chen, Liquan

    2016-06-22

    To improve the electrochemical performance of graphite felt (GF) electrodes in vanadium flow batteries (VFBs), we synthesize a series of ZrO2-modified GF (ZrO2/GF) electrodes with varying ZrO2 contents via a facile immersion-precipitation approach. It is found that the uniform immobilization of ZrO2 nanoparticles on the GF not only significantly promotes the accessibility of vanadium electrolyte, but also provides more active sites for the redox reactions, thereby resulting in better electrochemical activity and reversibility toward the VO(2+)/VO2(+) and V(2+)/V(3+) redox reactions as compared with those of GF. In particular, The ZrO2/GF composite with 0.3 wt % ZrO2 displays the best electrochemical performance with voltage and energy efficiencies of 71.9% and 67.4%, respectively, which are much higher than those of 57.3% and 53.8% as obtained from the GF electrode at 200 mA cm(-2). The cycle life tests demonstrate that the ZrO2/GF electrodes exhibit outstanding stability. The ZrO2/GF-based VFB battery shows negligible activity decay after 200 cycles.

  9. Turbulence accelerates the growth of drinking water biofilms.

    PubMed

    Tsagkari, E; Sloan, W T

    2018-06-01

    Biofilms are found at the inner surfaces of drinking water pipes and, therefore, it is essential to understand biofilm processes to control their formation. Hydrodynamics play a crucial role in shaping biofilms. Thus, knowing how biofilms form, develop and disperse under different flow conditions is critical in the successful management of these systems. Here, the development of biofilms after 4 weeks, the initial formation of biofilms within 10 h and finally, the response of already established biofilms within 24-h intervals in which the flow regime was changed, were studied using a rotating annular reactor under three different flow regimes: turbulent, transition and laminar. Using fluorescence microscopy, information about the number of microcolonies on the reactor slides, the surface area of biofilms and of extracellular polymeric substances and the biofilm structures was acquired. Gravimetric measurements were conducted to characterise the thickness and density of biofilms, and spatial statistics were used to characterise the heterogeneity and spatial correlation of biofilm structures. Contrary to the prevailing view, it was shown that turbulent flow did not correlate with a reduction in biofilms; turbulence was found to enhance both the initial formation and the development of biofilms on the accessible surfaces. Additionally, after 24-h changes of the flow regime it was indicated that biofilms responded to the quick changes of the flow regime. Overall, this work suggests that different flow conditions can cause substantial changes in biofilm morphology and growth and specifically that turbulent flow can accelerate biofilm growth in drinking water.

  10. Fabrication of low thermal expansion SiC/ZrW2O8 porous ceramics

    NASA Astrophysics Data System (ADS)

    Poowancum, A.; Matsumaru, K.; Juárez-Ramírez, I.; Torres-Martínez, L. M.; Fu, Z. Y.; Lee, S. W.; Ishizaki, K.

    2011-03-01

    Low or zero thermal expansion porous ceramics are required for several applications. In this work near zero thermal expansion porous ceramics were fabricated by using SiC and ZrW2O8 as positive and negative thermal expansion materials, respectively, bonded by soda lime glass. The mixture of SiC, ZrW2O8 and soda lime glass was sintered by Pulsed Electric Current Sintering (PECS, or sometimes called Spark Plasma Sintering, SPS) at 700 °C. Sintered samples with ZrW2O8 particle size smaller than 25 μm have high thermal expansion coefficient, because ZrW2O8 has the reaction with soda lime glass to form Na2ZrW3O12 during sintering process. The reaction between soda lime glass and ZrW2O8 is reduced by increasing particle size of ZrW2O8. Sintered sample with ZrW2O8 particle size 45-90 μm shows near zero thermal expansion.

  11. Effects of Zr Addition on Strengthening Mechanisms of Al-Alloyed High-Cr ODS Steels.

    PubMed

    Ren, Jian; Yu, Liming; Liu, Yongchang; Liu, Chenxi; Li, Huijun; Wu, Jiefeng

    2018-01-12

    Oxide dispersion strengthened (ODS) steels with different contents of zirconium (denoted as 16Cr ODS, 16Cr-0.3Zr ODS and 16Cr-0.6Zr ODS) were fabricated to investigate the effects of Zr on strengthening mechanism of Al-alloyed 16Cr ODS steel. Electron backscatter diffraction (EBSD) results show that the mean grain size of ODS steels could be decreased by Zr addition. Transmission electron microscope (TEM) results indicate that Zr addition could increase the number density but decrease the mean diameter and inter-particle spacing of oxide particles. Furthermore, it is also found that in addition to Y-Al-O nanoparticles, Y-Zr-O oxides with finer size were observed in 16Cr-0.3Zr ODS and 16Cr-0.6Zr ODS steels. These changes in microstructure significantly increase the yield strength (YS) and ultimate tensile strength (UTS) of ODS steels through mechanisms of grain boundary strengthening and dispersion strengthening.

  12. Effects of Zr Addition on Strengthening Mechanisms of Al-Alloyed High-Cr ODS Steels

    PubMed Central

    Ren, Jian; Yu, Liming; Liu, Yongchang; Liu, Chenxi; Li, Huijun; Wu, Jiefeng

    2018-01-01

    Oxide dispersion strengthened (ODS) steels with different contents of zirconium (denoted as 16Cr ODS, 16Cr-0.3Zr ODS and 16Cr-0.6Zr ODS) were fabricated to investigate the effects of Zr on strengthening mechanism of Al-alloyed 16Cr ODS steel. Electron backscatter diffraction (EBSD) results show that the mean grain size of ODS steels could be decreased by Zr addition. Transmission electron microscope (TEM) results indicate that Zr addition could increase the number density but decrease the mean diameter and inter-particle spacing of oxide particles. Furthermore, it is also found that in addition to Y-Al-O nanoparticles, Y-Zr-O oxides with finer size were observed in 16Cr-0.3Zr ODS and 16Cr-0.6Zr ODS steels. These changes in microstructure significantly increase the yield strength (YS) and ultimate tensile strength (UTS) of ODS steels through mechanisms of grain boundary strengthening and dispersion strengthening. PMID:29329260

  13. Magnetic properties enhancement of melt spun CoZrB ribbons by elemental substitutions

    NASA Astrophysics Data System (ADS)

    Chang, H. W.; Tsai, C. F.; Hsieh, C. C.; Shih, C. W.; Chang, W. C.; Shaw, C. C.

    2013-11-01

    Effect of elemental substitution of M (M=C, Cu, Ga, Al and Si) for Zr on the magnetic properties, phase evolution, and microstructure of melt spun Co80Zr18-xMxB2 (x=0-2) ribbons have been investigated. The x-ray diffraction (XRD) and thermal magnetic analysis (TMA) results showed that two magnetically soft phases, namely fcc-Co and Co23Zr6, coexisted with hard phase Co5Zr in Co80Zr17M1B2 ribbons with M=Cu, Ga, Al and Si, while an extra unknown magnetic phase was present in ribbons with M=C. The ribbons with M=C and Si were found to improve the remanence (σr) of the Co80Zr17M1B2 ribbons. However, only M=Si could improve the whole magnetic properties, including Br, intrinsic coercivity (iHc) and energy product ((BH)max) of the above ribbons. The optimal magnetic properties of Br=5.2 kG, iHc=4.5 kOe, and (BH)max=5.3 MGOe were obtained in Co80Zr17Si1B2 ribbons, which possessed Co5Zr and minor fcc-Co phases with much finer grain size (10-30 nm) in comparison with its counterpart Co80Zr18B2 (20-60 nm).

  14. Synthesis of Transparent Aqueous ZrO2 Nanodispersion with a Controllable Crystalline Phase without Modification for a High-Refractive-Index Nanocomposite Film.

    PubMed

    Xia, Yi; Zhang, Cong; Wang, Jie-Xin; Wang, Dan; Zeng, Xiao-Fei; Chen, Jian-Feng

    2018-05-30

    The controllable synthesis of metal oxide nanoparticles is of fundamental and technological interest. In this article, highly transparent aqueous nanodispersion of ZrO 2 with controllable crystalline phase, high concentration, and long-term stability was facilely prepared without any modification via the reaction of inexpensive inorganic zirconium salt and sodium hydroxide in water under an acid surrounding, combined with hydrothermal treatment. The as-prepared transparent nanodispersion had an average particle size of 7 nm, a high stability of 18 months, and a high solid content of 35 wt %. ZrO 2 nanocrystals could be readily dispersed in many solvents with high polarity including ethanol, dimethyl sulfoxide, acetic acid, ethylene glycol, and N, N-dimethylformamide, forming stable transparent nanodispersions. Furthermore, highly transparent polyvinyl alcohol/ZrO 2 nanocomposite films with high refractive index were successfully prepared with a simple solution mixing route. The refractive index could be tuned from 1.528 to 1.754 (@ 589 nm) by changing the mass fraction (0-80 wt %) of ZrO 2 in transparent nanocomposite films.

  15. Effect of SiO 2-ZrO 2 supports prepared by a grafting method on hydrogen production by steam reforming of liquefied natural gas over Ni/SiO 2-ZrO 2 catalysts

    NASA Astrophysics Data System (ADS)

    Seo, Jeong Gil; Youn, Min Hye; Song, In Kyu

    SiO 2-ZrO 2 supports with various zirconium contents are prepared by grafting a zirconium precursor onto the surface of commercial Carbosil silica. Ni(20 wt.%)/SiO 2-ZrO 2 catalysts are then prepared by an impregnation method, and are applied to hydrogen production by steam reforming of liquefied natural gas (LNG). The effect of SiO 2-ZrO 2 supports on the performance of the Ni(20 wt.%)/SiO 2-ZrO 2 catalysts is investigated. SiO 2-ZrO 2 prepared by a grafting method serves as an efficient support for the nickel catalyst in the steam reforming of LNG. Zirconia enhances the resistance of silica to steam significantly and increases the interaction between nickel and the support, and furthermore, prevents the growth of nickel oxide species during the calcination process through the formation of a ZrO 2-SiO 2 composite structure. The crystalline structures and catalytic activities of the Ni(20 wt.%)/SiO 2-ZrO 2 catalysts are strongly influenced by the amount of zirconium grafted. The conversion of LNG and the yield of hydrogen show volcano-shaped curves with respect to zirconium content. Among the catalysts tested, the Ni(20 wt.%)/SiO 2-ZrO 2 (Zr/Si = 0.54) sample shows the best catalytic performance in terms of both LNG conversion and hydrogen yield. The well-developed and pure tetragonal phase of ZrO 2-SiO 2 (Zr/Si = 0.54) appears to play an important role in the adsorption of steam and subsequent spillover of steam from the support to the active nickel. The small particle size of the metallic nickel in the Ni(20 wt.%)/SiO 2-ZrO 2 (Zr/Si = 0.54) catalyst is also responsible for its high performance.

  16. Density functional analysis of fluorite-structured (Ce, Zr)O 2/CeO 2 interfaces [Density functional analysis of fluorite-structured (Ce, Zr)O 2/CeO 2 interfaces: Implications for catalysis and energy applications

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Weck, Philippe F.; Juan, Pierre -Alexandre; Dingreville, Remi

    The structures and properties of Ce 1–xZr xO 2 (x = 0–1) solid solutions, selected Ce 1–xZr xO 2 surfaces, and Ce 1–xZr xO 2/CeO 2 interfaces were computed within the framework of density functional theory corrected for strong electron correlation (DFT+ U). The calculated Debye temperature increases steadily with Zr content in (Ce, Zr)O 2 phases, indicating a significant rise in microhardness from CeO 2 to ZrO 2, without appreciable loss in ductility as the interfacial stoichiometry changes. Surface energy calculations for the low-index CeO 2(111) and (110) surfaces show limited sensitivity to strong 4f-electron correlation. The fracture energymore » of Ce 1–xZr xO 2(111)/CeO 2(111) increases markedly with Zr content, with a significant decrease in energy for thicker Ce 1–xZr xO 2 films. These findings suggest the crucial role of Zr acting as a binder at the Ce 1–xZr xO 2/CeO 2 interfaces, due to the more covalent character of Zr–O bonds compared to Ce–O. Finally, the impact of surface relaxation upon interface cracking was assessed and found to reach a maximum for Ce 0.25Zr 0.75O 2/CeO 2 interfaces.« less

  17. Density functional analysis of fluorite-structured (Ce, Zr)O 2/CeO 2 interfaces [Density functional analysis of fluorite-structured (Ce, Zr)O 2/CeO 2 interfaces: Implications for catalysis and energy applications

    DOE PAGES

    Weck, Philippe F.; Juan, Pierre -Alexandre; Dingreville, Remi; ...

    2017-06-21

    The structures and properties of Ce 1–xZr xO 2 (x = 0–1) solid solutions, selected Ce 1–xZr xO 2 surfaces, and Ce 1–xZr xO 2/CeO 2 interfaces were computed within the framework of density functional theory corrected for strong electron correlation (DFT+ U). The calculated Debye temperature increases steadily with Zr content in (Ce, Zr)O 2 phases, indicating a significant rise in microhardness from CeO 2 to ZrO 2, without appreciable loss in ductility as the interfacial stoichiometry changes. Surface energy calculations for the low-index CeO 2(111) and (110) surfaces show limited sensitivity to strong 4f-electron correlation. The fracture energymore » of Ce 1–xZr xO 2(111)/CeO 2(111) increases markedly with Zr content, with a significant decrease in energy for thicker Ce 1–xZr xO 2 films. These findings suggest the crucial role of Zr acting as a binder at the Ce 1–xZr xO 2/CeO 2 interfaces, due to the more covalent character of Zr–O bonds compared to Ce–O. Finally, the impact of surface relaxation upon interface cracking was assessed and found to reach a maximum for Ce 0.25Zr 0.75O 2/CeO 2 interfaces.« less

  18. Preparation of Zr(Mo,W)2O8 with a larger negative thermal expansion by controlling the thermal decomposition of Zr(Mo,W)2(OH,Cl)2∙2H2O.

    PubMed

    Petrushina, Mariya Yu; Dedova, Elena S; Filatov, Eugeny Yu; Plyusnin, Pavel E; Korenev, Sergei V; Kulkov, Sergei N; Derevyannikova, Elizaveta A; Sharafutdinov, Marat R; Gubanov, Alexander I

    2018-03-28

    Solid solutions of Zr(Mo,W) 2 O 7 (OH,Cl) 2 ∙2H 2 O with a preset ratio of components were prepared by a hydrothermal method. The chemical composition of the solutions was determined by energy dispersive X-ray spectroscopy (EDX). For all the samples of ZrMo x W 2-x O 7 (OH,Cl) 2 ∙2H 2 O (x = 0.0, 0.2, 0.4, 0.6, 0.8, 1.0, 1.2, 1.4, 1.6, 1.8, and 2.0), TGA and in situ powder X-ray diffraction (PXRD) studies (300-1100 K) were conducted. For each case, the boundaries of the transformations were determined: Zr(Mo,W) 2 O 7 (OH,Cl) 2 ∙2H 2 O → orthorhombic-ZrMo x W 2-x O 8 (425-525 K), orthorhombic-ZrMo x W 2-x O 8  → cubic-ZrMo x W 2-x O 8 (700-850 K), cubic-ZrMo x W 2-x O 8  → trigonal-ZrMo x W 2-x O 8 (800-1050 K for x > 1) and cubic-ZrMo x W 2-x O 8  → oxides (1000-1075 K for x ≤ 1). The cell parameters of the disordered cubic-ZrMo x W 2-x O 8 (space group Pa-3) were measured within 300-900 K, and the thermal expansion coefficients were calculated: -3.5∙10 -6  - -4.5∙10 -6  K -1 . For the ordered ZrMo 1.8 W 0.2 O 8 (space group P2 1 3), a negative thermal expansion (NTE) coefficient -9.6∙10 -6  K -1 (300-400 K) was calculated. Orthorhombic-ZrW2O 8 is formed upon the decomposition of ZrW 2 O 7 (OH,Cl) 2 ∙2H 2 O within 500-800 K.

  19. Zircon solubility and of Zr species in subduction zone fluids

    NASA Astrophysics Data System (ADS)

    Wilke, M.; Schmidt, C.; Rickers, K.; Pascarelli, S.; Manning, C. E.; Stechern, A.

    2009-12-01

    The geochemical signature of igneous rocks at convergent plate margins is thought to result from complex melt formation processes involving aqueous solutions derived from dehydration of the subducted slab. In these processes, the depletion of high-field-strength elements (HFSE) may be controlled by the presence of accessory phases such as zircon and rutile, which can strongly fractionate these elements; however, the stability and solubility of these phases depends strongly on the fluid composition, including concentration and stoichiometry of Na-Al silicate components. Here we present new data on the influence of the fluid composition on zircon solubility as well as data on the Zr complexation in these fluids at P&T. Experiments were conducted using a modified hydrothermal diamond-anvil cell (HDAC). Zr contents at P&T were determined using SR-µXRF spectra. Zr K-edge X-ray Absorption Fine Structure (XAFS) spectra were acquired to investigate the Zr complexation in-situ at P&T. A grain of synthetic crystalline zircon was equilibrated with an aqueous fluid containing Na2Si2O5 or Na2Si2O5 + Al2O3 components. XAFS and SR-µXRF spectra were taken at the dispersive beamline ID24 of the ESRF, Grenoble, France. Some additional SR-µXRF spectra were taken at HASYLAB, Hamburg, beamline L. The observed Zr concentrations in fluids containing 7-33 wt% Na2Si2O5 and variable Al contents were between 75 and 720 ppm at 500 to 750°C and ~300 MPa to ~700 MPa. These values match expected solubilities calculated from linear interpolation of the maximum solubility in pure H2O (from the detection limit) and the solubility in the most alkaline high-silica melts reported by Ellison and Hess (1986, CMP, 94, 343). The high Zr solubility in sodium silicate-bearing solutions signifies that aqueous fluids with alkali silicates offer an efficient mechanism for HFSE transport. This can be explained by complexation of HFSE with Si, Na, and perhaps also Al, via formation of polymerized solutes

  20. Study on ( n,t) Reactions of Zr, Nb and Ta Nuclei

    NASA Astrophysics Data System (ADS)

    Tel, E.; Yiğit, M.; Tanır, G.

    2012-04-01

    The world faces serious energy shortages in the near future. To meet the world energy demand, the nuclear fusion with safety, environmentally acceptability and economic is the best suited. Fusion is attractive as an energy source because of the virtually inexhaustible supply of fuel, the promise of minimal adverse environmental impact, and its inherent safety. Fusion will not produce CO2 or SO2 and thus will not contribute to global warming or acid rain. Furthermore, there are not radioactive nuclear waste problems in the fusion reactors. Although there have been significant research and development studies on the inertial and magnetic fusion reactor technology, there is still a long way to go to penetrate commercial fusion reactors to the energy market. Because, tritium self-sufficiency must be maintained for a commercial power plant. For self-sustaining (D-T) fusion driver tritium breeding ratio should be greater than 1.05. And also, the success of fusion power system is dependent on performance of the first wall, blanket or divertor systems. So, the performance of structural materials for fusion power systems, understanding nuclear properties systematic and working out of ( n,t) reaction cross sections are very important. Zirconium (Zr), Niobium (Nb) and Tantal (Ta) containing alloys are important structural materials for fusion reactors, accelerator-driven systems, and many other fields. In this study, ( n,t) reactions for some structural fusion materials such as 88,90,92,94,96Zr, 93,94,95Nb and 179,181Ta have been investigated. The calculated results are discussed andcompared with the experimental data taken from the literature.

  1. Synthesis of Defect Perovskites (He 2–x⟂ x)(CaZr)F 6 by Inserting Helium into the Negative Thermal Expansion Material CaZrF 6

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Hester, Brett R.; dos Santos, António M.; Molaison, Jamie J.

    Defect perovskites (He 2–x⟂ x)(CaZr)F 6 can be prepared by inserting helium into CaZrF 6 at high pressure. They can be recovered to ambient pressure at low temperature. There are no prior examples of perovskites with noble gases on the A-sites. The insertion of helium gas into CaZrF 6 both elastically stiffens the material and reduces the magnitude of its negative thermal expansion. It also suppresses the onset of structural disorder, which is seen on compression in other media. Measurements of the gas released on warming to room temperature and Rietveld analyses of neutron diffraction data at low temperature indicatemore » that exposure to helium gas at 500 MPa leads to a stoichiometry close to (He 1⟂ 1)(CaZr)F 6. Helium has a much higher solubility in CaZrF 6 than silica glass or crystobalite. An analogue with composition (H 2) 2(CaZr)F 6 would have a volumetric hydrogen storage capacity greater than current US DOE targets. We anticipate that other hybrid perovskites with small neutral molecules on the A-site can also be prepared and that they will display a rich structural chemistry.« less

  2. [Effect of SiO₂-ZrO₂slurry coating on surface performance of zirconia ceramic].

    PubMed

    Du, Qiao; Niu, Guangliang; Lin, Hong; Jiang, Ruodan

    2015-11-01

    To evaluate the effect of SiO₂-ZrO₂slurry coating on surface performance of zirconia ceramic. Seventy pre-sintered zirconia discs were randomly divided into seven groups with 10 discs per group. Sample discs in each group received one of the following seven different surface treatments, namely, sintered (group AS), sand blasting after sintered (group SB), coated with slurry of mole ratio of SiO₂to ZrO₂2:1 (group 2SiO₂-1ZrO₂), coated with slurry of mole ratio of SiO₂to ZrO₂1:1 (group 1SiO₂-1ZrO₂), coated with slurry of mole ratio of SiO₂to ZrO₂1:2 (group 1SiO₂-2ZrO₂), coated with slurry of mole ratio of SiO₂to ZrO₂1:3 (group 1SiO₂-3ZrO₂), coated with slurry of mole ratio of SiO₂to ZrO₂1:4 (group 1SiO₂-4ZrO₂). Profilometer, X-ray diffractometer (XRD), energy dispersive spectrometer, scanning electron microscopy (SEM) were used to analyze surface performance. The surface roughness of the discs in group AS was lower than those in the other groups [(0.33 ± 0.03) µm] (P < 0.05), there was no statistically significant difference (P > 0.05) among group 2SiO₂-1ZrO₂[(3.85 ± 0.38) µm], group 1SiO₂-1ZrO₂[(3.78 ± 0.56) µm] and group 1SiO₂-2ZrO₂[(4.06 ± 0.48) µm], and no difference (P > 0.05) was observed between group 1SiO₂-3ZrO₂[(1.02 ± 0.09) µm] and group 1SiO₂-4ZrO₂[(1.53 ± 0.23) µm] either. However, surface roughness in all coating groups was higher than those in group SB [(0.86 ± 0.05) µm] (P < 0.05). According to the XRD pattern, group AS and all coating groups consisted of 100% tetragonal airconia and monoclinic zirconia was detected at surface of group SB. Contents of surface silicon of coating groups increased significantly, however, no silicon was detected at sample surface of group AS and group SB. SEM showed that zirconia grains of coating exposed since part of silicon was etched by hydrofluoric acid, a three-dimensional network of intergrain nano-spaces was created. SiO₂-Zr

  3. Nonprotective Alumina Growth in Sulfur-Doped NiAl(Zr)

    NASA Technical Reports Server (NTRS)

    Smialek, James L.

    2000-01-01

    The 1200 C oxidation behavior of NiAl was examined at various levels of sulfur and zirconium dopants to test the possibility of a critical S/Zr ratio required for adhesion. Cyclic furnace testing for 200 1 -hr cycles and interrupted testing for 500 hr were used as screening tests. Pure NiAl and NiAl(Zr) with 0. 14 at.% Zr were chosen as model base compositions; they exhibited normal, slow-growing scales (3 Mg/sq cm) with excellent adhesion for the Zr-doped alloys. NiAl with about 120 ppma S exhibited a substantial weight loss (-20 Mg/sq cm) in cyclic tests and a very large weight gain (+60 Mg/sq cm) in interrupted tests. The major surface phase remained as alpha -Al2O3. Sulfur doping the NiAl(Zr) alloy caused massive weight gains of 80 - 100 Mg/sq cm, swelling, cracking, and nearly complete conversion into NiAl2O4, and alpha- Al2O3. The initial objective of determining critical S/Zr ratios for adhesion was therefore unattainable. Initiation of the catastrophic attack was examined after a 10 hr exposure, revealing a few sites of broad, raised, and cracked ridges. In cross-section, the ridges appeared as modular intrusions, with a complex, fractal, oxide-metal interface. They were primarily alumina (with occasional entrapped islands of NiAl2O4 or pure Ni metal). They possessed a unique microstructure consisting of 0.3 microns lamellae, separated by 0.1 microns open channels. This allowed for rapid growth controlled by gaseous diffusion. The microstructure is discussed in terms of SO2 evolution and a sulfur-driven de-passivation process.

  4. A model for Nb-Zr-REE-Ga enrichment in Lopingian altered alkaline volcanic ashes: Key evidence of H-O isotopes

    NASA Astrophysics Data System (ADS)

    Dai, Shifeng; Nechaev, Victor P.; Chekryzhov, Igor Yu.; Zhao, Lixin; Vysotskiy, Sergei V.; Graham, Ian; Ward, Colin R.; Ignatiev, Alexander V.; Velivetskaya, Tatyana A.; Zhao, Lei; French, David; Hower, James C.

    2018-03-01

    Clay-altered volcanic ash with highly-elevated concentrations of Nb(Ta), Zr(Hf), rare earth elements (REE), and Ga, is a new type of critical metal deposit with high commercial prospects that has been discovered in Yunnan Province, southwest China. Previous studies showed that the volcanic ashes had been subjected to hydrothermal fluids, the nature of which, however, is not clear. Here we show that the volcanic ashes were originated from alkaline magmatism, followed by a continuous hydrothermal-weathering process. Heated meteoric waters, which were sourced from acidic rains and mixed with CO2 from degassing of the Emeishan plume, have caused partial, but widespread, acidic leaching of Nb, Ta, Zr, Hf, REE, and Ga into ground water and residual enrichment of these elements, along with Al and Ti, in the deeply altered rocks. Subsequent alteration occurring under cooler, neutral or alkaline conditions, caused by water-rock interaction, resulted in precipitation of the leached critical metals in the deposit. Polymetallic mineralization of similar origin may be found in other continental regions subjected to explosive alkaline volcanism associated with deep weathering in humid conditions.

  5. Bio-corrosion and cytotoxicity studies on novel Zr 55Co 30Ti 15 and Cu 60Zr 20Ti 20 metallic glasses

    DOE PAGES

    Vincent, S.; Daiwile, A.; Devi, S. S.; ...

    2014-09-26

    Metallic glasses are a potential and compatible implant candidate for biomedical applications. In the present investigation, a comparative study between novel Zr 55Co 30Ti 15 and Cu 60Zr 20Ti 20 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 experimentsmore » 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.« less

  6. Structural, vibrational and morphological properties of layered double hydroxides containing Ni{sup 2+}, Zn{sup 2+}, Al{sup 3+} and Zr{sup 4+} cations

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Bezerra, Débora M.

    2017-03-15

    Layered double hydroxides are anionic clays with formula [M{sup II}{sub 1−x} M{sup III}{sub x}(OH){sub 2}]{sup q+}[A{sup n−}]{sub q/n}·mH{sub 2}O, finding possible uses as catalyst support, adsorbents and so on. In this paper, we address the phase formation of layered double hydroxides containing Ni{sup 2+}, Zn{sup 2+}, Al{sup 3+} and Zr{sup 4+} cations, namely, NiZn-Al, NiZn-AlZr and NiZn-Zr compositions obtained by the coprecipitation method. Such systems were characterized by X-ray diffraction, confirming the phase formation for NiZn-Al and NiZn-AlZr samples. Infrared and Raman spectroscopies elucidated the anion and water molecules occurrence in the interlayer. Nitrogen physisorption (BET method) determined the presencemore » of pores and specific surface area. The isotherm shapes were Type IV, according to the IUPAC, and represent a mesoporous structure. A morphological study was performed by means of scanning and transmission electron microscopies, and particle size values of 120, 131 and 235 nm for NiZn-Al, NiZn-AlZr and NiZn-Zr, respectively, were determined. Thermogravimetric analysis of the decomposition of the systems revealed that their complete disintegration occurred at ~ 450 °C and resulted in mixed oxides.« less

  7. Penny-shaped crack propagation in spallation of Zr-BMGs

    NASA Astrophysics Data System (ADS)

    Ling, Z.; Huang, X.; Dai, L. H.

    2015-09-01

    Typical penny-shaped microcracks at their propagating in spallation of Zr-based bulk metallic glass (Zr-BMG) samples were captured by a specially designed plate impact technique. Based on the morphology and stress environment of the microcrack, a damaged zone or propagation zone around the crack tips, similar to the cohesive zone in classical fracture theories, is applied. Especially the scale of such a damaged zone represents a scale of the crack propagation. Its fast propagation would quickly bring a longer crack or cause cracks coalesce to form another longer one. The estimated propagation scales of microcracks are reasonable compared with what occurred in the Zr-BMG samples.

  8. Mechanical Properties of Layered La2Zr2O7 Thermal Barrier Coatings

    NASA Astrophysics Data System (ADS)

    Guo, Xingye; Li, Li; Park, Hyeon-Myeong; Knapp, James; Jung, Yeon-Gil; Zhang, Jing

    2018-04-01

    Lanthanum zirconate (La2Zr2O7) has been proposed as a promising thermal barrier coating (TBC) material due to its low thermal conductivity and high stability at high temperatures. In this work, both single and double-ceramic-layer (DCL) TBC systems of La2Zr2O7 and 8 wt.% yttria-stabilized zirconia (8YSZ) were prepared using air plasma spray (APS) technique. The thermomechanical properties and microstructure were investigated. Thermal gradient mechanical fatigue (TGMF) tests were applied to investigate the thermal cycling performance. The results showed that DCL La2Zr2O7 + 8YSZ TBC samples lasted fewer cycles compared with single-layered 8YSZ TBC samples in TGMF tests. This is because DCL La2Zr2O7 TBC samples had higher residual stress during the thermal cycling process, and their fracture toughness was lower than that of 8YSZ. Bond strength test results showed that 8YSZ TBC samples had higher bond strength compared with La2Zr2O7. The erosion rate of La2Zr2O7 TBC samples was higher than that of 8YSZ samples, due to the lower critical erodent velocity and fracture toughness of La2Zr2O7. DCL porous 8YSZ + La2Zr2O7 had a lower erosion rate than other SCL and DCL La2Zr2O7 coatings, suggesting that porous 8YSZ serves as a stress-relief buffer layer.

  9. Improved Tribological Performance of Amorphous Carbon (a-C) Coating by ZrO₂ Nanoparticles.

    PubMed

    Tang, Jinzhu; Ding, Qi; Zhang, Songwei; Wu, Guizhi; Hu, Litian

    2016-09-22

    Nanomaterials, such as Graphene, h-BN nanoparticles and MoS₂ nanotubes, have shown their ability in improving the tribological performance of amorphous carbon (a-C) coatings. In the current study, the effectiveness of ZrO₂ nanoparticles (ZrO₂-NPs) in lubricating the self-mated nonhydrogenated a-C contacts was investigated in boundary lubrication regime. The results showed that 13% less friction and 50% less wear compared to the base oil were achieved by employing ZrO₂-NPs in the base oil in self-mated a-C contacts. Via analyzing the ZrO₂-NPs and the worn a-C surface after tests, it was found that the improved lubrication by ZrO₂-NPs was based on "polishing effects", which is a new phenomenon observed between a-C and nanoparticles. Under the "polishing effect", micro-plateaus with extremely smooth surface and uniform height were produced on the analyzed a-C surface. The resulting topography of the a-C coating is suitable for ZrO₂-NPs to act as nano-bearings between rubbing surfaces. Especially, the ZrO₂-NPs exhibited excellent mechanical and chemical stability, even under the severe service condition, suggesting that the combination of nonhydrogenated a-C coating with ZrO₂-NPs is an effective, long lasting and environment-friendly lubrication solution.

  10. WetDATA Hub: Democratizing Access to Water Data to Accelerate Innovation through Data Visualization, Predictive Analytics and Artificial Intelligence Applications

    NASA Astrophysics Data System (ADS)

    Sarni, W.

    2017-12-01

    Water scarcity and poor quality impacts economic development, business growth, and social well-being. Water has become, in our generation, the foremost critical local, regional, and global issue of our time. Despite these needs, there is no water hub or water technology accelerator solely dedicated to water data and tools. There is a need by the public and private sectors for vastly improved data management and visualization tools. This is the WetDATA opportunity - to develop a water data tech hub dedicated to water data acquisition, analytics, and visualization tools for informed policy and business decisions. WetDATA's tools will help incubate disruptive water data technologies and accelerate adoption of current water data solutions. WetDATA is a Colorado-based (501c3), global hub for water data analytics and technology innovation. WetDATA's vision is to be a global leader in water information, data technology innovation and collaborate with other US and global water technology hubs. ROADMAP * Portal (www.wetdata.org) to provide stakeholders with tools/resources to understand related water risks. * The initial activities will provide education, awareness and tools to stakeholders to support the implementation of the Colorado State Water Plan. * Leverage the Western States Water Council Water Data Exchange database. * Development of visualization, predictive analytics and AI tools to engage with stakeholders and provide actionable data and information. TOOLS Education: Provide information on water issues and risks at the local, state, national and global scale. Visualizations: Development of data analytics and visualization tools based upon the 2030 Water Resources Group methodology to support the implementation of the Colorado State Water Plan. Predictive Analytics: Accessing publically available water databases and using machine learning to develop water availability forecasting tools, and time lapse images to support city / urban planning.

  11. Radiation damage in cubic ZrO 2 and yttria-stabilized zirconia from molecular dynamics simulations

    DOE PAGES

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

    2014-11-20

    Here, we perform molecular dynamics simulation on cubic ZrO 2 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. Moreover, 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.

  12. Study the structural and optical behaviour of polyaniline/ZrO2 nanocomposites

    NASA Astrophysics Data System (ADS)

    Sidhu, Gaganpreet Kaur; Kumar, Naresh; Kumar, Rajesh

    2018-05-01

    In nanoscience, hybrid material based on polymer and nanoparticles are of great interest because of much improved properties of components. Polymers are of enormous interest because of their various properties like flexibility, low weight and easy processing. Here, we studied the influence of ZrO2 nanoparticles on the structural and optical properties of Polyaniline (PANI). ZrO2 mixed with PANI, improve its structural and optical properties. XRD studies reveal that ZrO2 nanoparticles exist in the tetragonal phase in ZrO2/PANI nanocomposites. UV-Vis spectroscopic studies have been carried out to understand the presence of various energy levels and their involvement in absorbance of light. In PANI nanocomposites, aniline monomer attach with ZrO2 nanoparticles through p-p stacking interaction, Vander waal force and hydrogen bonding interaction.

  13. Self-consistent full-potential linearized-augmented-plane-wave local-density electronic-structure studies of magnetism and superconductivity in C15 compounds: ZrZn2 and ZrV2

    NASA Astrophysics Data System (ADS)

    Huang, Mei-Chun; Jansen, H. J. F.; Freeman, A. J.

    1988-03-01

    The electronic structure and properties of the cubic Laves phase (C15) compounds ZrZn2 and ZrV2 have been determined using our all-electron full-potential linearized-augmented-plane-wave (FLAPW) method for bulk solids. The computations were performed in two stages: (i) self-consistent warped muffin tin and (ii) self-consistent full potential. Spin-orbit coupling was included after either stage. The effects of the inclusion of the nonspherical terms inside the muffin tins on the eigenvalues is found to be small (of order 1 mRy). However, due to the fact that some of the bands near the Fermi level are flat, this effect leads to a much higher value of the density of states at EF in ZnZr2. The most important difference between the materials ZrZn2 and ZrV2 is the position of the d bands derived from the Zr and V atoms. Consequently, these materials have completely different Fermi surfaces. We have investigated the magnetic properties of these compounds by evaluating their generalized Stoner factors and found agreement with experiment. Our results for the superconducting transition temperature for these materials is found to be strongly dependent on the spin fluctuation parameter μsp. Of course, because of the magnetic transition, superconductivity cannot be observed in ZnZr2.

  14. Constitutive Model for Hot Deformation of the Cu-Zr-Ce Alloy

    NASA Astrophysics Data System (ADS)

    Zhang, Yi; Sun, Huili; Volinsky, Alex A.; Wang, Bingjie; Tian, Baohong; Liu, Yong; Song, Kexing

    2018-02-01

    Hot compressive deformation behavior of the Cu-Zr-Ce alloy has been investigated according to the hot deformation tests in the 550-900 °C temperature range and 0.001-10 s-1 strain rate range. Based on the true stress-true strain curves, the flow stress behavior of the Cu-Zr-Ce alloy was investigated. Microstructure evolution was observed by optical microscopy. Based on the experimental results, a constitutive equation, which reflects the relationships between the stress, strain, strain rate and temperature, has been established. Material constants n, α, Q and ln A were calculated as functions of strain. The equation predicting the flow stress combined with these materials constants has been proposed. The predicted stress is consistent with experimental stress, indicating that developed constitutive equation can adequately predict the flow stress of the Cu-Zr-Ce alloy. Dynamic recrystallization critical strain was determined using the work hardening rate method. According to the dynamic material model, the processing maps for the Cu-Zr and Cu-Zr-Ce alloy were obtained at 0.4 and 0.5 strain. Based on the processing maps and microstructure observations, the optimal processing parameters for the two alloys were determined, and it was found that the addition of Ce can promote the hot workability of the Cu-Zr alloy.

  15. Microwave-hydrothermal method for the synthesis of composite materials for removal of arsenic from water.

    PubMed

    Andjelkovic, Ivan; Jovic, Bojan; Jovic, Milica; Markovic, Marijana; Stankovic, Dalibor; Manojlovic, Dragan; Roglic, Goran

    2016-01-01

    Composite material Zr-doped TiO2, suitable for the removal of arsenic from water, was synthetized with fast and simple microwave-hydrothermal method. Obtained material, Zr-TiO2, had uniform size and composition with zirconium ions incorporated into crystal structure of titanium dioxide. Synthetized composite material had large specific surface area and well-developed micropore and mesopore structure that was responsible for fast adsorption of As(III) and As(V) from water. The influence of pH on the adsorption capacity of arsenic was studied. The kinetics and isotherm experiments were also performed. The treatment of natural water sample containing high concentration of arsenic with composite material Zr-TiO2 was efficient. The concentration of arsenic was reduced to the value recommended by WHO.

  16. Zr-based bulk metallic glass as a cylinder material for high pressure apparatuses

    DOE PAGES

    Komatsu, Kazuki; Munakata, Koji; Matsubayashi, Kazuyuki; ...

    2015-05-12

    Zirconium-based bulk metallic glass (Zr-based BMG) has outstanding properties as a cylinder mate- rial for piston-cylinder high pressure apparatuses and is especially useful for neutron scattering. The piston-cylinder consisting of a Zr-based BMG cylinder with outer/inner diameters of 8.8/2.5 mm sustains pressures up to 1.81 GPa and ruptured at 2.0 GPa, with pressure values determined by the superconduct- ing temperature of lead. The neutron attenuation of Zr-based BMG is similar to that of TiZr null-scattering alloy and more transparent than that of CuBe alloy. No contamination of sharp Bragg reflections is observed in the neutron diffraction pattern for Zr-based BMG.more » The magnetic susceptibility of Zr-based BMG is similar to that of CuBe alloy; this leads to a potential application for measurements of magnetic properties under pressure.« less

  17. New FCC Mg–Zr and Mg–Zr–ti deuterides obtained by reactive milling

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Guzik, Matylda N., E-mail: matylda.guzik@ife.no; Deledda, Stefano; Sørby, Magnus H.

    2015-03-15

    Results for binary Mg–Zr and ternary Mg–Zr–Ti mixtures ball milled at room temperature under reactive deuterium atmosphere (5.6–6.7 MPa) are reported. X-ray and neutron powder diffraction combined with Rietveld refinements show that two new cubic phases were formed during milling. Mg{sub 0.40}Zr{sub 0.60}D{sub 1.78} and Mg{sub 0.40}Zr{sub 0.26}Ti{sub 0.34}D{sub 1.98} crystallize with disordered face centered cubic metal atom arrangements. Results of differential scanning calorimetry and termogravimetric measurements demonstrate that both deuterides desorb deuterium at lower temperatures than MgD{sub 2}, ZrD{sub 2} or TiD{sub 2}; 528 and 575 K in the Mg–Zr–D and Mg–Zr–Ti–D system, respectively. Interestingly, Mg{sub 0.40}Zr{sub 0.26}Ti{sub 0.34}D{submore » 1.98} stores deuterium reversibly at 673 K and 10 MPa of D{sub 2}. - Graphical abstract: High resolution SR-PXD patterns obtained for Mg{sub 0.40}Zr{sub 0.60}D{sub 1.78} and first time reported Mg{sub 0.40}Zr{sub 0.26}Ti{sub 0.34}D{sub 1.98}. - Highlights: • Synthesis and characterization of Mg{sub 0.40}Zr{sub 0.60}D{sub 1.78} and Mg{sub 0.40}Zr{sub 0.26}Ti{sub 0.34}D{sub 1.98}. • New deuterides obtained by milling under H{sub 2} gas pressure in the order of a few MPa. • Phases desorb deuterium at temperature lower than corresponding binary deuterides. • Mg{sub 0.40}Zr{sub 0.26}Ti{sub 0.34}D{sub 1.98} stores hydrogen reversibly at 673 K and 10 MPa of D{sub 2}.« less

  18. X-ray photoelectron spectroscopy as detection tool for coordinated or uncoordinated fluorine atoms demonstrated on fluoride systems NaF, K2TaF7, K3TaF8, K2ZrF6, Na7Zr6F31 and K3ZrF7

    NASA Astrophysics Data System (ADS)

    Boča, Miroslav; Barborík, Peter; Mičušík, Matej; Omastová, Mária

    2012-07-01

    While systems K3TaF8 and K3ZrF7 were prepared by modified molten salt method modified wet pathway was used for reproducible preparation of Na7Zr6F31. Its congruently melting character was demonstrated on simultaneous TG/DSC measurements and XRD patterns. X-ray photoelectron spectroscopy was applied for identification of differently bonded fluorine atoms in series of compounds NaF, K2TaF7, K3TaF8, K2ZrF6, Na7Zr6F31 and K3ZrF7. Three different types of fluorine atoms were described qualitatively and quantitatively. Uncoordinated fluorine atoms (F-) provide signals at lowest binding energies, followed by signals from terminally coordinated fluorine atoms (M-F) and then bridging fluorine atoms (M-F-M) at highest energy. Based on XPS F 1s signals assigned to fluorine atoms in compounds with correctly determined structure it was suggested that fluorine atoms in K3ZrF7 have partially bridging character.

  19. Effect of zirconia morphology on sulfur-resistant methanation performance of MoO3/ZrO2 catalyst

    NASA Astrophysics Data System (ADS)

    Liu, Chen; Wang, Weihan; Xu, Yan; Li, Zhenhua; Wang, Baowei; Ma, Xinbin

    2018-05-01

    Two kinds of ZrO2 support with different morphologies were prepared by facile solvothermal method in different solvents. The obtained two supports showed monoclinic zirconia (m-ZrO2) and tetragonal zirconia (t-ZrO2) phase with similar crystalline size. Their supported Mo-based catalysts were prepared by impregnation method and the effect of zirconia morphology on the performance of sulfur-resistant methanation was examined. The results indicated that the MoO3/m-ZrO2 has higher CO conversion than the MoO3/t-ZrO2 catalyst. Characterizations by XRD, Raman, H2-TPR and IR confirmed that the m-ZrO2 is superior to t-ZrO2 for dispersing molybdenum species. In addition, the MoO3/m-ZrO2 catalyst has weaker interaction between support and active Mo speices than the MoO3/t-ZrO2 catalyst, which facilitates to forming active species of nanocrystalline MoS2 layers for sulfur-resistant methanation. The weaker interaction of molybdenum species with m-ZrO2 is related with the more covalent character of the Zrsbnd O bond and more oxygen defective structure of m-ZrO2. A larger number of Lewis acid centers appear on the surface of m-ZrO2, which verified the substantial vacancies on m-ZrO2 exposing coordinately unsaturated Zr3+ and Zr4+ cations. Meanwhile, the less Lewis acid of t-ZrO2 result in stronger interaction between support and molybdenum species and trigger crystalline phase MoO3 and Mosbnd Osbnd Zr linkages.

  20. Microstructure evolution of a ZrC coating layer in TRISO particles during high-temperature annealing

    NASA Astrophysics Data System (ADS)

    Kim, Daejong; Chun, Young Bum; Ko, Myeong Jin; Lee, Hyeon-Geun; Cho, Moon-Sung; Park, Ji Yeon; Kim, Weon-Ju

    2016-10-01

    The influence of high-temperature annealing on the microstructure of zirconium carbide (ZrC) was investigated in relation to its application as a coating layer of a nuclear fuel in a very high temperature gas cooled reactor. ZrC was deposited as a constituent coating layer of TRISO coated particles by a fluidized bed chemical vapor deposition method using a ZrCl4-CH4-Ar-H2 system. The grain growth of ZrC during high-temperature annealing was strongly influenced by the co-deposition of free carbon. Sub-stoichiometric ZrC coatings have experienced a significant grain growth during high-temperature annealing at 1800 °C and 1900 °C for 1 h. On the other hand, a dual phase of stoichiometric ZrC and free carbon experienced little grain growth. It was revealed that the free carbon of the as-deposited ZrC was primarily distributed within the ZrC grains but was redistributed to the grain boundaries after annealing. Consequently, carbon at the grain boundary retarded the grain growth of ZrC. Electron backscatter diffraction (EBSD) results showed that as-deposited ZrC had (001) a preferred orientation that kept its favored direction after significant grain growth during annealing. The hardness slightly decreased as the grain growth progressed.

  1. Effects of Undercooling and Cooling Rate on Peritectic Phase Crystallization Within Ni-Zr Alloy Melt

    NASA Astrophysics Data System (ADS)

    Lü, P.; Wang, H. P.

    2018-04-01

    The liquid Ni-16.75 at. pct Zr peritectic alloy was substantially undercooled and containerlessly solidified by an electromagnetic levitator and a drop tube. The dependence of the peritectic solidification mode on undercooling was established based on the results of the solidified microstructures, crystal growth velocity, as well as X-ray diffraction patterns. Below a critical undercooling of 124 K, the primary Ni7Zr2 phase preferentially nucleates and grows from the undercooled liquid, which is followed by a peritectic reaction of Ni7Zr2+L → Ni5Zr. The corresponding microstructure is composed of the Ni7Zr2 dendrites, peritectic Ni5Zr phase, and inter-dendritic eutectic. Nevertheless, once the liquid undercooling exceeds the critical undercooling, the peritectic Ni5Zr phase directly precipitates from this undercooled liquid. However, a negligible amount of residual Ni7Zr2 phase still appears in the microstructure, indicating that nucleation and growth of the Ni7Zr2 phase are not completely suppressed. The micromechanical property of the peritectic Ni5Zr phase in terms of the Vickers microhardness is enhanced, which is ascribed to the transition of the peritectic solidification mode. To suppress the formation of the primary phase completely, this alloy was also containerlessly solidified in free fall experiments. Typical peritectic solidified microstructure forms in large droplets, while only the peritectic Ni5Zr phase appears in smaller droplets, which gives an indication that the peritectic Ni5Zr phase directly precipitates from the undercooled liquid by completely suppressing the growth of the primary Ni7Zr2 phase and the peritectic reaction due to the combined effects of the large undercooling and high cooling rate.

  2. From solid solution to cluster formation of Fe and Cr in α-Zr

    NASA Astrophysics Data System (ADS)

    Burr, P. A.; Wenman, M. R.; Gault, B.; Moody, M. P.; Ivermark, M.; Rushton, M. J. D.; Preuss, M.; Edwards, L.; Grimes, R. W.

    2015-12-01

    To understand the mechanisms by which the re-solution of Fe and Cr additions increase the corrosion rate of irradiated Zr alloys, the solubility and clustering of Fe and Cr in model binary Zr alloys was investigated using a combination of experimental and modelling techniques - atom probe tomography (APT), x-ray diffraction (XRD), thermoelectric power (TEP) and density functional theory (DFT). Cr occupies both interstitial and substitutional sites in the α-Zr lattice; Fe favours interstitial sites, and a low-symmetry site that was not previously modelled is found to be the most favourable for Fe. Lattice expansion as a function of Fe and Cr content in the α-Zr matrix deviates from Vegard's law and is strongly anisotropic for Fe additions, expanding the c-axis while contracting the a-axis. Matrix content of solutes cannot be reliably estimated from lattice parameter measurements, instead a combination of TEP and APT was employed. Defect clusters form at higher solution concentrations, which induce a smaller lattice strain compared to the dilute defects. In the presence of a Zr vacancy, all two-atom clusters are more soluble than individual point defects and as many as four Fe or three Cr atoms could be accommodated in a single Zr vacancy. The Zr vacancy is critical for the increased apparent solubility of defect clusters; the implications for irradiation induced microstructure changes in Zr alloys are discussed.

  3. A simple and rapid in situ preconcentration method for the determination of phosphate in environmental waters by use of solid-phase extraction, and its applications to brackish lake waters.

    PubMed

    Okumura, M; Tong, L; Fujinaga, K; Seike, Y

    2001-05-01

    A simple and rapid in situ preconcentration method for the determination of phosphate in environmental waters has been developed for field analysis. This method is based on solid-phase extraction on a zirconium-loaded Sep-Pack Accell CM cartridge (Zr-SP) and is applicable to studies in which sampling is performed by use of a graduated syringe to prevent contamination and to ensure easy operation at sampling sites. The Zr-SP cartridge was prepared by passing 0.1 mol L(-1) zirconium solution through a Sep-Pak Accell CM cartridge, packed with cation exchange sorbent based on a silica matrix. The adsorption of phosphate and its desorption depend only on the pH of the solution. A water sample containing phosphate was adjusted to pH 2 and passed through the Zr-SP cartridge to collect it. The retained phosphate was quantitatively eluted with 0.5 mol L(-1) sodium hydroxide solution. The phosphate retained in the Zr-SP cartridge was stable for at least one month. The established preconcentration method was successfully applied to brackish lake waters to investigate seasonal changes in the distribution and behavior of phosphate in a brackish lake.

  4. Pyrochlore Ce2Zr2O7 decorated over rGO: a photocatalyst that proves to be efficient towards the reduction of 4-nitrophenol and degradation of ciprofloxacin under visible light.

    PubMed

    Mansingh, Sriram; Acharya, Rashmi; Martha, Satyabadi; Parida, K M

    2018-04-18

    In the present study, a series of Ce2Zr2O7@rGO nanocomposites were synthesized using a simple solution combustion method followed by a photoreduction technique. The as-prepared samples were well characterised using various analytical techniques to determine the morphological, optical, structural, electrochemical and compositional properties. The presence of oxygen defects was observed from Raman and photoluminescence spectra. The photoreduction of GO to rGO was determined from Raman and Fourier-transform infrared (FTIR) spectroscopy results. The role of rGO proved to be quite significant for the enhanced photocatalytic activity of the nanocomposites. The synergistic communication between Ce2Zr2O7 and rGO accelerates the photoreduction of 4-nitrophenol along with the degradation of ciprofloxacin under visible light irradiation. Of the rGO nanocomposites, 3 wt% GO loaded Ce2Zr2O7 reduces 99% of 20 ppm of 4-nitrophenol to 4-aminophenol in 120 min and decomposes 10 ppm of ciprofloxacin by up to 89% in 60 min. The significant enhancement in the activity of the Ce2Zr2O7@rGO nanocomposite was ascribed to the effective charge separation of excitons through π-conjugation of graphene at the interface, which is well supported by the impedance, photoluminescence and photocatalytic results.

  5. Effect of structural defects on electronic and magnetic properties of ZrS2 monolayer

    NASA Astrophysics Data System (ADS)

    Wang, Haiyang; Zhao, Xu; Gao, Yonghui; Wang, Tianxing; Wei, Shuyi

    2018-04-01

    We aimed at ten configurations of vacancy defects and used the first-principles methods based on density functional theory to research electronic and magnetic properties of ZrS2 monolayer. Results show that the system of two-zirconium vacancy (V2zr) and one Zr atom + one S atom vacancy (V1Zr+1S) can induce to total spin magnetic moment of 0.245μB and 0.196μB, respectively. In addition, three and six S atoms vacancy can induce corresponding system to manifest spin magnetic moment of 0.728μB and 3.311μB, respectively. In S atom vacancy defects, vacancy defects can transform the system from semiconductor to metal, several of the Zr atoms and adjacent S atoms display antiferromagnetism coupling in three apart S atom vacancy defects. Vacancy defects can make the intrisic monolayer ZrS2 transform semiconductor into metal. These results are important for the achievement of spin devices based on ZrS2 semiconductor.

  6. First-principles study on stability, and growth strategies of small AlnZr (n=1-9) clusters

    NASA Astrophysics Data System (ADS)

    Li, Zhi; Zhou, Zhonghao; Wang, Hongbin; Li, Shengli; Zhao, Zhen

    2016-09-01

    The geometries, relative stability as well as growth strategies of the AlnZr (n=1-9) clusters are investigated with spin polarized density functional theory: BLYP. The results reveal that the AlnZr clusters are more likely to form the dense accumulation structures than the AlN (N=1-10) clusters. The average binding energies of AlnZr are higher than those of AlN clusters. The AlnZr (n=3, 5, and 7) clusters are more stable than others by the differences of the total binding energies. Mülliken population analysis for the AlnZr clusters shows that the electron's adsorption ability of Zr is slightly lower than that of Al except for AlZr cluster. Local peaks of the HOMO-LUMO gap curve are found at n=3, 5, and 7. The reaction energies of AlnZr are higher, which means that AlnZr clusters are easier to react with Al clusters. Zr atom preferential reacts with Al2 cluster. Local peaks of the magnetic dipole moments are found at n=2, 5, and 8.

  7. Laser emission from flash ignition of Zr/Al nanoparticles.

    PubMed

    Yang, Fan; Kang, Xiaoli; Luo, Jiangshan; Sun, Laixi; Xia, Handing; Yi, Zao; Tang, Yongjian

    2017-10-02

    We report the first laser emission from flash ignition of Zr/Al nanoparticles with the addition of strong oxidizer KClO 4 using Nd: YAG as a laser medium. The mixture Zr/Al/Kp-45 (mass ratio = 33%Zr: 33%Al: 34%KClO 4 ) has the highest brightness temperature Tb = 4615 K and the adiabatic flame temperature Tf = 4194 K with the duration of 20 ms. At 1064 nm we measured a maximum output energy of 702.5 mJ with the duration of nearly 10 ms by using only 100 mg mixture with an output coupler (transmission T = 10%). Further optimizing the concentration cavity and increasing the mixture content will yield much higher efficiency and output energy.

  8. High pressure phase transitions and compressibilities of Er2Zr2O7 and Ho2Zr2O7

    NASA Astrophysics Data System (ADS)

    Zhang, F. X.; Lang, M.; Becker, U.; Ewing, R. C.; Lian, J.

    2008-01-01

    Phase stability and compressibility of rare earth zirconates with the defect-fluorite structure were investigated by in situ synchrotron x-ray diffraction. A sluggish defect-fluorite to a cotunnitelike phase transformation occurred at pressures of ˜22 and ˜30GPa for Er2Zr2O7 and Ho2Zr2O7, respectively. Enhanced compressibility was found for the high pressure phase as a result of increasing cation coordination number and cation-anion bond length.

  9. Thermoluminescence (TL) of europium-doped ZrO2 obtained by sol-gel method

    NASA Astrophysics Data System (ADS)

    Rivera, T.; Furetta, C.; Azorín, J.; Barrera, M.; Soto, A. M.

    This article reports the preparation and characterization of europium-doped zirconium oxide (ZrO2:Eu3+) formed by homogeneous precipitation from propoxyde of zirconium [Zr(OC3H7)4]. The alkoxide sol gel process is an efficient method to prepare the zirconium oxide matrix by the hydrolysis of alkoxide precursors followed by condensation to yield a polymeric oxo-bridged ZrO2 network. All compounds were characterized by thermal analysis and the X-ray diffractometry method. The thermoluminescence (TL) emission properties of ZrO2:Eu3+ under beta radiation effects are studied. The europium-doped sintered zirconia powder presents a TL glow curve with two peaks (Tmax) centered at around 204 and around 292 °C, respectively. TL response of ZrO2:Eu3+ as a function of beta-absorbed dose was linear from 2 Gy up to 90 Gy. The europium ion (Eu3+)-doped ZrO2 was found to be more sensitive to beta radiation than undoped ZrO2 obtained by the same method and presented a little fading of the TL signal compared with undoped zirconium oxide.

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

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Malyshev, Oleg B., E-mail: oleg.malyshev@stfc.ac.uk; Valizadeh, Reza; Hogan, Benjamin T.

    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 (2–20 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 withmore » 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.« less

  11. The CVD ZrB2 as a selective solar absorber

    NASA Astrophysics Data System (ADS)

    Randich, E.; Allred, D. D.

    Coatings of ZrB2 and TiB2 for photothermal solar absorber applications were prepared using chemical vapor deposition (CVD) techniques. Oxidation tests suggest a maximum temperature limit for air exposure of 600 K for TiB2 and 800 K for Z4B2. Both materials exhibit innate spectral selectivity with emittance at 375 K ranging from 0.06 to 0.09 and solar absorptance for ZrB2 ranging from 0.67 to 0.77 and solar absorptance for TiB2 ranging from 0.46 to 0.58. ZrB2 has better solar selectivity and more desirable oxidation behavior than TiB2. A 0.071 micrometer antireflection coating of Si3N4 deposited on the ZrB2 coating leads to an increase in absorptance from 0.77 to 0.93, while the emittance remains unchanged.

  12. Fabrication of dense and porous Li2ZrO3 nanofibers with electrospinning method

    NASA Astrophysics Data System (ADS)

    Yuan, Kangkang; Jin, Xiaotong; Xu, Chonghe; Wang, Xinqiang; Zhang, Guanghui; Zhu, Luyi; Xu, Dong

    2018-06-01

    Lithium zirconate (Li2ZrO3) has been extensively studied as CO2 capture material, electrolyte material and coating material. Most of the previous studies were focused on the powder structure, while seldom taking a consideration of fiber structure. In the present work, dense and porous Li2ZrO3 nanofibers with surface area of 16 m2 g-1 were prepared by electrospinning method. IR spectral results showed that lithium carbonate was the intermediate for the formation of Li2ZrO3. The phase transformation of Li2ZrO3 underwent the pathway of amorphous precursor fibers, tetragonal zirconia and Li2CO3, tetragonal Li2ZrO3, and monoclinic Li2ZrO3. XRD and XPS results further suggested that Li2O diffusion from the fiber body to surface occurred for Li2ZrO3 nanofibers when heat-treated above 900 °C, and the tetragonal Li2ZrO3 with high surface area could be obtained at 800 °C. Bamboo structure appeared both for the dense and porous nanofibers heat-treated at 1000 °C. The high surface area and high thermal stability of tetragonal phase of Li2ZrO3 make it a promising candidate in CO2 absorption, electrolyte and coating material.

  13. Cladding of Mg alloy with Zr based BMG Alloy

    NASA Astrophysics Data System (ADS)

    Prasada Rao, A. K.; Oh, Y. S.; Faisal, M. K.; Kim, N. J.

    2016-02-01

    In the present work, an attempt has been made to clad AZ31 magnesium alloy with Zr-based bulk metallic glassy alloy (Vit-1), by casting method. The interface studies conducted using SEM-EDS line scan indicate that a good bond is formed at the clad interface of Zr and Mg. And the mechanism involved is discussed herein.

  14. Breakaway phenomenon of Zr-based alloys during a high-temperature oxidation

    NASA Astrophysics Data System (ADS)

    Baek, Jong Hyuk; Jeong, Yong Hwan

    2008-01-01

    The breakaway oxidation phenomena in Zr-based alloys were studied in the temperature range of 950-1200 °C for up to 36 000 s by using a modified thermo-gravimetric analyzer. After the oxidation tests, the oxidation behaviors, breakaway oxidation time, hydrogen pick-up contents, and oxidation rate constants of the alloys were systematically evaluated in this study. The breakaway oxidation time was shortened with an increase of the Sn content in the Zr alloys. A breakaway oxidation phenomenon could be caused by the transition of a tetragonal oxide phase into a monoclinic one, and the oxide transition could lead to form the oxide cracks in both the lateral and radial directions. The cracks within the oxide layer could result in catastrophic increase in the weight gain rates and rapid increase the hydrogen pick-up within the oxygen-stabilized α-Zr and prior β-Zr layers. The oxidation rate constants calculated from the post-breakaway data in the Zr alloys with breakaway oxidation behaviors matched well with the values from both the Baker-Just and Cathcart-Pawel correlations.

  15. Effect of the SiO2 Support on the Catalytic Performance of Ag/ZrO2/SiO2 Catalysts for the Single-Bed Production of Butadiene from Ethanol

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Dagle, Vanessa; Flake, Matthew D.; Lemmon, Teresa

    2018-05-18

    A ternary Ag/ZrO2/SiO2 catalyst system was studied for the single-step conversion of ethanol to butadiene by varying the catalyst composition (Ag, Ir, or Pt metal component, Ag/ZrO2 loading, and choice of SiO2 support) and operating conditions (space velocity and feed gas composition). Exceptional catalytic performance was achieved over a 1%Ag/4%ZrO2/SiO2-SBA-16 catalyst leading to 99% conversion and 71% butadiene selectivity while operating under mild conditions (325ºC, 1 atm, 0.23 hr-1). Several classes of silica (i.e., silica gels, fumed silicas, meoporous silicas) were evaluated as support, and SBA-16 was found to be the most promising. The nature of the SiO2 support wasmore » found to have a strong influence on both conversion and selectivity. Higher SiO2 catalyst surface areas lead to greater conversion due to increased Ag dispersion thus accelerating the initial ethanol dehydrogenation reaction. By independently varying Ag and ZrO2 loading, Ag was found to be the main component affecting ethanol conversion. Butadiene selectivity varied depending on the concentration of ZrO2 and acidic characteristics of the SiO2 support. A direct relationship between butadiene selectivity and concentration of Lewis acid sites was evidenced. Also, adding H2 to the feed had little effect on conversion while improving catalytic stability, however, selectivity to butadiene was decreased. Finally, catalyst regenerability was successfully demonstrated for several cycles.« less

  16. Effect of the SiO 2 support on the catalytic performance of Ag/ZrO 2 /SiO 2 catalysts for the single-bed production of butadiene from ethanol

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Dagle, Vanessa Lebarbier; Flake, Matthew D.; Lemmon, Teresa L.

    A ternary Ag/ZrO2/SiO2 catalyst system was studied for the single-step conversion of ethanol to butadiene by varying the catalyst composition (Ag, Ir, or Pt metal component, Ag/ZrO2 loading, and choice of SiO2 support) and operating conditions (space velocity and feed gas composition). Exceptional catalytic performance was achieved over a 1%Ag/4%ZrO2/SiO2-SBA-16 catalyst leading to 99% conversion and 71% butadiene selectivity while operating under mild conditions (325ºC, 1 atm, 0.23 hr-1). Several classes of silica (i.e., silica gels, fumed silicas, meoporous silicas) were evaluated as support, and SBA-16 was found to be the most promising. The nature of the SiO2 support wasmore » found to have a strong influence on both conversion and selectivity. Higher SiO2 catalyst surface areas lead to greater conversion due to increased Ag dispersion thus accelerating the initial ethanol dehydrogenation reaction. By independently varying Ag and ZrO2 loading, Ag was found to be the main component affecting ethanol conversion. Butadiene selectivity varied depending on the concentration of ZrO2 and acidic characteristics of the SiO2 support. A direct relationship between butadiene selectivity and concentration of Lewis acid sites was evidenced. Also, adding H2 to the feed had little effect on conversion while improving catalytic stability, however, selectivity to butadiene was decreased. Finally, catalyst regenerability was successfully demonstrated for several cycles.« less

  17. The production of radionuclides for nuclear medicine from a compact, low-energy accelerator system.

    PubMed

    Webster, William D; Parks, Geoffrey T; Titov, Dmitry; Beasley, Paul

    2014-05-01

    The field of nuclear medicine is reliant on radionuclides for medical imaging procedures and radioimmunotherapy (RIT). The recent shut-downs of key radionuclide producers have highlighted the fragility of the current radionuclide supply network, however. To ensure that nuclear medicine can continue to grow, adding new diagnostic and therapy options to healthcare, novel and reliable production methods are required. Siemens are developing a low-energy, high-current - up to 10 MeV and 1 mA respectively - accelerator. The capability of this low-cost, compact system for radionuclide production, for use in nuclear medicine procedures, has been considered. The production of three medically important radionuclides - (89)Zr, (64)Cu, and (103)Pd - has been considered, via the (89)Y(p,n), (64)Ni(p,n) and (103)Rh(p,n) reactions, respectively. Theoretical cross-sections were generated using TALYS and compared to experimental data available from EXFOR. Stopping power values generated by SRIM have been used, with the TALYS-generated excitation functions, to calculate potential yields and isotopic purity in different irradiation regimes. The TALYS excitation functions were found to have a good agreement with the experimental data available from the EXFOR database. It was found that both (89)Zr and (64)Cu could be produced with high isotopic purity (over 99%), with activity yields suitable for medical diagnostics and therapy, at a proton energy of 10MeV. At 10MeV, the irradiation of (103)Rh produced appreciable quantities of (102)Pd, reducing the isotopic purity. A reduction in beam energy to 9.5MeV increased the radioisotopic purity to 99% with only a small reduction in activity yield. This work demonstrates that the low-energy, compact accelerator system under development by Siemens would be capable of providing sufficient quantities of (89)Zr, (64)Cu, and (103)Pd for use in medical diagnostics and therapy. It is suggested that the system could be used to produce many other

  18. Unctuous ZrO2 nanoparticles with improved functional attributes as lubricant additives

    NASA Astrophysics Data System (ADS)

    Espina Casado, Jorge; Fernández González, Alfonso; José del Reguero Huerga, Ángel; Rodríguez-Solla, Humberto; Díaz-García, Marta Elena; Badía-Laíño, Rosana

    2017-12-01

    One of the main drawbacks in the application of metal-oxide nanoparticles as lubricant additives is their poor stability in organic media, despite the good anti-wear, friction-reducing and high-load capacity properties described for these materials. In this work, we present a novel procedure to chemically cap the surface of ZrO2 nanoparticles (ZrO2NPs) with long hydrocarbon chains in order to obtain stable dispersions of ZrO2NPs in non-aqueous media without disrupting their attributes as lubricant additives. C-8, C-10 and C-16 saturated flexible chains were attached to the ZrO2NP surface and their physical and chemical characterization was performed by transmission electron microscopy, thermogravimetric analysis, attenuated total reflectance Fourier transform infrared spectroscopy, x-ray photoelectron spectroscopy and solid-state nuclear magnetic resonance. The dispersion stability of the modified ZrO2NPs in non-aqueous media was studied using static multiple light scattering. Tribological tests demonstrated that dispersions of the long-chain capped ZrO2NPs in base lubricating oils exhibited low friction coefficients and improved the anti-wear properties of the base oil when compared with the raw lubricating oil.

  19. On the combustion mechanisms of ZrH2 in double-base propellant.

    PubMed

    Yang, Yanjing; Zhao, Fengqi; Yuan, Zhifeng; Wang, Ying; An, Ting; Chen, Xueli; Xuan, Chunlei; Zhang, Jiankan

    2017-12-13

    Metal hydrides are regarded as a series of promising hydrogen-supplying fuel for solid rocket propellants. Their effects on the energetic and combustion performances of propellants are closely related to their reaction mechanisms. Here we report a first attempt to determine the reaction mechanism of ZrH 2 , a high-density metal hydride, in the combustion of a double-base propellant to evaluate its potential as a fuel. ZrH 2 is determined to possess good resistance to oxidation by nitrocellulose and nitroglycerine. Thus its combustion starts with dehydrogenation to generate H 2 and metallic Zr. Subsequently, the newly formed Zr and H 2 participate in the combustion and, especially, Zr melts and then combusts on the burning surface which favors the heat feedback to the propellant. This phenomenon is completely different from the combustion behavior of the traditional fuel Al, where the Al particles are ejected off the burning surface of the propellant to get into the luminous flame zone to burn. The findings in this work validate the potential of ZrH 2 as a hydrogen-supplying fuel for double-base propellants.

  20. Atom economy and green elimination of nitric oxide using ZrN powders.

    PubMed

    Chen, Ning; Wang, Jigang; Yin, Wenyan; Li, Zhen; Li, Peishen; Guo, Ming; Wang, Qiang; Li, Chunlei; Wang, Changzheng; Chen, Shaowei

    2018-05-01

    Nitric oxide (NO) may cause serious environmental problems, such as acid rain, haze weather, global warming and even death. Herein, a new low-cost, highly efficient and green method for the elimination of NO using zirconium nitride (ZrN) is reported for the first time, which does not produce any waste or any by-product. Relevant experimental parameters, such as reaction temperature and gas concentration, were investigated to explore the reaction mechanism. Interestingly, NO can be easily decomposed into nitrogen (N 2 ) by ZrN powders at 600°C with ZrN simultaneously transformed into zirconium dioxide (ZrO 2 ) gradually. The time for the complete conversion of NO into N 2 was approximately 14 h over 0.5 g of ZrN at a NO concentration of 500 ppm. This green elimination process of NO demonstrated good atom economy and practical significance in mitigating environmental problems.

  1. Excitonic Instability and Pseudogap Formation in Nodal Line Semimetal ZrSiS

    NASA Astrophysics Data System (ADS)

    Rudenko, A. N.; Stepanov, E. A.; Lichtenstein, A. I.; Katsnelson, M. I.

    2018-05-01

    Electron correlation effects are studied in ZrSiS using a combination of first-principles and model approaches. We show that basic electronic properties of ZrSiS can be described within a two-dimensional lattice model of two nested square lattices. A high degree of electron-hole symmetry characteristic for ZrSiS is one of the key features of this model. Having determined model parameters from first-principles calculations, we then explicitly take electron-electron interactions into account and show that, at moderately low temperatures, ZrSiS exhibits excitonic instability, leading to the formation of a pseudogap in the electronic spectrum. The results can be understood in terms of Coulomb-interaction-assisted pairing of electrons and holes reminiscent of that of an excitonic insulator. Our finding allows us to provide a physical interpretation of the unusual mass enhancement of charge carriers in ZrSiS recently observed experimentally.

  2. Investigating the Structural, Thermal, and Electronic Properties of the Zircon-Type ZrSiO4, ZrGeO4 and HfSiO4 Compounds

    NASA Astrophysics Data System (ADS)

    Chiker, Fafa; Boukabrine, Fatiha; Khachai, H.; Khenata, R.; Mathieu, C.; Bin Omran, S.; Syrotyuk, S. V.; Ahmed, W. K.; Murtaza, G.

    2016-11-01

    In the present study, the structural, thermal, and electronic properties of some important orthosilicate dielectrics, such as the ZrSiO4, ZrGeO4, and HfSiO4 compounds, have been investigated theoretically with the use of first-principle calculations. We attribute the application of the modified Becke-Johnson exchange potential, which is basically an improvement over the local density approximation and the Perdew-Burke-Ernzerhof exchange-correlation functional, for a better description of the band gaps of the compounds. This resulted in a good agreement with our estimated values in comparison with the reported experimental data, specifically for the ZrSiO4, and HfSiO4 compounds. Conversely, for the ZrGeO4 compound, the calculated electronic band structure shows a direct band gap at the Γ point with the value of 5.79 eV. Furthermore, our evaluated thermal properties that are calculated by using the quasi-harmonic Debye model indicated that the volume variation with temperature is higher in the ZrGeO4 compound as compared to both the ZrSiO4 and HfSiO4 compounds, which is ascribed to the difference between the electron shells of the Si and Ge atoms. Therefore, these results also indicate that while the entropy ( S) and enthalpy ( U) parameters increase monotonically, the free energy ( G), in contrast, decreases monotonically with increasing temperature, respectively. Moreover, the pressure and temperature dependencies of the Debye temperature Θ, thermal expansion coefficient, and heat capacities C V were also predicted in our study.

  3. In Situ FT-IR Spectroscopic Study of CO2 and CO Adsorption on Y2O3, ZrO2, and Yttria-Stabilized ZrO2

    PubMed Central

    2013-01-01

    In situ FT-IR spectroscopy was exploited to study the adsorption of CO2 and CO on commercially available yttria-stabilized ZrO2 (8 mol % Y, YSZ-8), Y2O3, and ZrO2. All three oxides were pretreated at high temperatures (1173 K) in air, which leads to effective dehydroxylation of pure ZrO2. Both Y2O3 and YSZ-8 show a much higher reactivity toward CO and CO2 adsorption than ZrO2 because of more facile rehydroxylation of Y-containing phases. Several different carbonate species have been observed following CO2 adsorption on Y2O3 and YSZ-8, which are much more strongly bound on the former, due to formation of higher-coordinated polydentate carbonate species upon annealing. As the crucial factor governing the formation of carbonates, the presence of reactive (basic) surface hydroxyl groups on Y-centers was identified. Therefore, chemisorption of CO2 most likely includes insertion of the CO2 molecule into a reactive surface hydroxyl group and the subsequent formation of a bicarbonate species. Formate formation following CO adsorption has been observed on all three oxides but is less pronounced on ZrO2 due to effective dehydroxylation of the surface during high-temperature treatment. The latter generally causes suppression of the surface reactivity of ZrO2 samples regarding reactions involving CO or CO2 as reaction intermediates. PMID:24009780

  4. Fabrication and Properties of Plasma-Sprayed Al2O3/ZrO2 Composite Coatings

    NASA Astrophysics Data System (ADS)

    Dejang, N.; Limpichaipanit, A.; Watcharapasorn, A.; Wirojanupatump, S.; Niranatlumpong, P.; Jiansirisomboon, S.

    2011-12-01

    Al2O3 /xZrO2 (where x = 0, 3, 13, and 20 wt.%) composite coatings were deposited onto mild steel substrates by atmospheric plasma spraying of mixed α-Al2O3 and nano-sized monoclinic-ZrO2 powders. Microstructural investigation showed that the coatings comprised well-separated Al2O3 and ZrO2 lamellae, pores, and partially molten particles. The coating comprised mainly of metastable γ-Al2O3 and tetragonal-ZrO2 with trace of original α-Al2O3 and monoclinic-ZrO2 phases. The effect of ZrO2 addition on the properties of coatings were investigated in terms of microhardness, fracture toughness, and wear behavior. It was found that ZrO2 improved the fracture toughness, reduced friction coefficient, and wear rate of the coatings.

  5. Molecular dynamics simulation of liquid structure for undercooled Zr-Nb alloys assisted with electrostatic levitation experiments

    NASA Astrophysics Data System (ADS)

    Yang, S. J.; Hu, L.; Wang, L.; Wei, B.

    2018-06-01

    The liquid structures of undercooled Zr90Nb10, Zr70Nb30 and Zr50Nb50 alloys were studied by molecular dynamics simulation combined with electrostatic levitation experiments. The densities of three alloys were measured by electrostatic levitation to modify the Zr-Nb potential functions by adjusting parameters in potential functions. In simulation, the atomic packing in Zr-Nb alloys was more ordered at lower temperatures. The Voronoi tessellation analyses indicated Nb-centered clusters were easier to form than Zr-centered clusters although the Nb content was less than 50%. The partial pair distribution functions showed that the interactions among Zr atoms are quite different to that among Nb atoms.

  6. Ab Initio Predictions of Hexagonal Zr(B,C,N) Polymorphs for Coherent Interface Design

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Hu, Chongze; Huang, Jingsong; Sumpter, Bobby G.

    2017-10-27

    Density functional theory calculations are used to explore hexagonal (HX) NiAs-like polymorphs of Zr(B,C,N) and compare with corresponding Zr(B,C,N) Hagg-like face-centered cubic rocksalt (B1) phases. While all predicted compounds are mechanically stable according to the Born-Huang criteria, only HX Zr(C,N) are found dynamically stable from ab initio molecular dynamics simulations and lattice dynamics calculations. HX ZrN emerges as a candidate structure with ground state energy, elastic constants, and extrinsic mechanical parameters comparable with those of B1 ZrN. Ab initio band structure and semi-classical Boltzmann transport calculations predict a metallic character and a monotonic increase in electrical conductivity with the numbermore » of valence electrons. Electronic structure calculations indicate that the HX phases gain their stability and mechanical attributes by Zr d- non-metal p hybridization and by broadening of Zr d bands. Furthermore, it is shown that the HX ZrN phase provides a low-energy coherent interface model for connecting B1 ZrN domains, with significant energetic advantage over an atomistic interface model derived from high resolution transmission electron microscopy images. The ab initio characterizations provided herein should aid the experimental identification of non-Hagg-like hard phases. Furthermore, the results can also enrich the variety of crystalline phases potentially available for designing coherent interfaces in superhard nanostructured materials and in materials with multilayer characteristics.« less

  7. Phase stability and photocatalytic activity of Zr-doped anatase synthesized in miniemulsion

    NASA Astrophysics Data System (ADS)

    Schiller, Renate; Weiss, Clemens K.; Landfester, Katharina

    2010-10-01

    A series of mesoporous anatase-type TiO2 doped with zirconium (0-50 mol% Zr) was synthesized by combining the sol-gel process with the inverse miniemulsion technique. Nanoparticles between 100 and 300 nm were directly prepared from acidic precursor solutions of titanium glycolate (EGMT) and zirconium isopropoxide. The miniemulsion technique is a simple and convenient method to synthesize nanoparticles of homogeneous size because the reactions (here hydrolysis and condensation) take place in the confined space of nanodroplets (several hundreds of nanometres) and therefore in a highly controlled manner. For low doping levels (0-7.1 mol% Zr), ZrxTi1 - xO2 solid solutions were formed where Zr was uniformly dispersed into the anatase framework. For higher amounts of zirconium (Zr >= 7.1 mol%), the crystallization of zirconium titanate (ZrTiO4) occurred at a low temperature of 650 °C and it was obtained as a pure material for 47.4 mol% <= Zr <= 50 mol%. The influence of the amount of zirconium on the crystallinity, crystallite size, phase composition and stability, morphology and specific surface area was investigated. For the characterization transmission electron microscopy (TEM), x-ray diffraction (XRD), nitrogen sorption (BET) and inductively coupled plasma-optical emission spectrometry (ICP-OES) were used. The photocatalytic activity of the crystalline mixed oxides (0-9.4 mol% Zr) was examined for the degradation of methylene blue under UV irradiation.

  8. Ferroelectricity emerging in strained (111)-textured ZrO{sub 2} thin films

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Fan, Zhen, E-mail: a0082709@u.nus.edu, E-mail: msecj@nus.edu.sg; Deng, Jinyu; Liu, Ziyan

    2016-01-04

    (Anti-)ferroelectricity in complementary metal-oxide-semiconductor (CMOS)-compatible binary oxides have attracted considerable research interest recently. Here, we show that by using substrate-induced strain, the orthorhombic phase and the desired ferroelectricity could be achieved in ZrO{sub 2} thin films. Our theoretical analyses suggest that the strain imposed on the ZrO{sub 2} (111) film by the TiN/MgO (001) substrate would energetically favor the tetragonal (t) and orthorhombic (o) phases over the monoclinic (m) phase of ZrO{sub 2}, and the compressive strain along certain 〈11-2〉 directions may further stabilize the o-phase. Experimentally ZrO{sub 2} thin films are sputtered onto the MgO (001) substrates buffered bymore » epitaxial TiN layers. ZrO{sub 2} thin films exhibit t- and o-phases, which are highly (111)-textured and strained, as evidenced by X-ray diffraction and transmission electron microscopy. Both polarization-electric field (P-E) loops and corresponding current responses to voltage stimulations measured with appropriate applied fields reveal the ferroelectric sub-loop behavior of the ZrO{sub 2} films at certain thicknesses, confirming that the ferroelectric o-phase has been developed in the strained (111)-textured ZrO{sub 2} films. However, further increasing the applied field leads to the disappearance of ferroelectric hysteresis, the possible reasons of which are discussed.« less

  9. Adsorption of Arsenic on Multiwall Carbon Nanotube–Zirconia Nanohybrid for Potential Drinking Water Purification

    PubMed Central

    AddoNtim, Susana; Mitra, Somenath

    2012-01-01

    The adsorptive removal of arsenic from water using a multiwall carbon nanotube-zirconia nanohybrid (MWCNT-ZrO2) is presented. The MWCNT-ZrO2 with 4.85% zirconia was effective in meeting the drinking water standard levels of 10 μg L−1. The absorption capacity of the composite were 2000 μg g−1 and 5000 μg g−1 for As (III) and As (V) respectively, which were significantly higher than those reported previously for iron oxide coated MWCNTs. The adsorption of As (V) on MWCNT-ZrO2 was faster than that of As (III), and a pseudo-second order rate equation effectively described the uptake kinetics. The adsorption isotherms for As (III) and As (V) fitted both the Langmuir and Freundlich models. A major advantage of the MWCNT-ZrO2 was that the adsorption capacity was not a function of pH. PMID:22424815

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

    DOE PAGES

    Zhao, Xin; Ke, Liqin; Nguyen, Manh Cuong; ...

    2015-06-23

    The structures and magnetic properties of Co-Zr-B alloys near the composition of Co 5Zr 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 “Co 11Zr 2” 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 calculationsmore » showed that the magnetocrystalline anisotropy energies of the boron-doped alloys are close to that of the high-temperature rhombohedral Co 5Zr phase and larger than that of the low-temperature Co 5.25Zr phase. As a result, our calculations provide useful guidelines for further experimental optimization of the magnetic performances of these alloys.« less

  11. Electronic evidence of temperature-induced Lifshitz transition and topological nature in ZrTe5

    PubMed Central

    Zhang, Yan; Wang, Chenlu; Yu, Li; Liu, Guodong; Liang, Aiji; Huang, Jianwei; Nie, Simin; Sun, Xuan; Zhang, Yuxiao; Shen, Bing; Liu, Jing; Weng, Hongming; Zhao, Lingxiao; Chen, Genfu; Jia, Xiaowen; Hu, Cheng; Ding, Ying; Zhao, Wenjuan; Gao, Qiang; Li, Cong; He, Shaolong; Zhao, Lin; Zhang, Fengfeng; Zhang, Shenjin; Yang, Feng; Wang, Zhimin; Peng, Qinjun; Dai, Xi; Fang, Zhong; Xu, Zuyan; Chen, Chuangtian; Zhou, X. J.

    2017-01-01

    The topological materials have attracted much attention for their unique electronic structure and peculiar physical properties. ZrTe5 has host a long-standing puzzle on its anomalous transport properties manifested by its unusual resistivity peak and the reversal of the charge carrier type. It is also predicted that single-layer ZrTe5 is a two-dimensional topological insulator and there is possibly a topological phase transition in bulk ZrTe5. Here we report high-resolution laser-based angle-resolved photoemission measurements on the electronic structure and its detailed temperature evolution of ZrTe5. Our results provide direct electronic evidence on the temperature-induced Lifshitz transition, which gives a natural understanding on underlying origin of the resistivity anomaly in ZrTe5. In addition, we observe one-dimensional-like electronic features from the edges of the cracked ZrTe5 samples. Our observations indicate that ZrTe5 is a weak topological insulator and it exhibits a tendency to become a strong topological insulator when the layer distance is reduced. PMID:28534501

  12. Mechanical characterization and modeling of brazed tungsten and Cu-Cr-Zr alloy using stress relief interlayers

    NASA Astrophysics Data System (ADS)

    Qu, Dandan; Zhou, Zhangjian; Yum, Youngjin; Aktaa, Jarir

    2014-12-01

    A rapidly solidified foil-type Ti-Zr based amorphous filler with a melting temperature of 850 °C was used to braze tungsten to Cu-Cr-Zr alloy for water cooled divertors and plasma facing components application. Brazed joints of dissimilar materials suffer from a mismatch in coefficients of thermal expansion. In order to release the residual stress caused by the mismatch, brazed joints of tungsten and Cu-Cr-Zr alloy using different interlayers were studied. The shear strength tests of brazed W/Cu joints show that the average strength of the joint with a W70Cu30 composite plate interlayer reached 119.8 MPa, and the average strength of the joint with oxygen free high conductivity copper (OFHC Cu)/Mo multi-interlayers reached 140.8 MPa, while the joint without interlayer was only 16.6 MPa. Finite element method (FEM) has been performed to investigate the stress distribution and effect of stress relief interlayers. FEM results show that the maximum von Mises stress occurs in the tungsten/filler interface and that the filler suffers the peak residual stresses and becomes the weakest zone. And the use of OFHC Cu/Mo multi-interlayers can reduce the residual stress significantly, which agrees with the mechanical experiment data.

  13. High temperature phase decomposition in Ti{sub x}Zr{sub y}Al{sub z}N

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Lind, Hans; Pilemalm, Robert; Rogström, Lina

    2014-12-15

    Through a combination of theoretical and experimental observations we study the high temperature decomposition behavior of c-(Ti{sub x}Zr{sub y}Al{sub z}N) alloys. We show that for most concentrations the high formation energy of (ZrAl)N causes a strong tendency for spinodal decomposition between ZrN and AlN while other decompositions tendencies are suppressed. In addition we observe that entropic effects due to configurational disorder favor a formation of a stable Zr-rich (TiZr)N phase with increasing temperature. Our calculations also predict that at high temperatures a Zr rich (TiZrAl)N disordered phase should become more resistant against the spinodal decomposition despite its high and positivemore » formation energy due to the specific topology of the free energy surface at the relevant concentrations. Our experimental observations confirm this prediction by showing strong tendency towards decomposition in a Zr-poor sample while a Zr-rich alloy shows a greatly reduced decomposition rate, which is mostly attributable to binodal decomposition processes. This result highlights the importance of considering the second derivative of the free energy, in addition to its absolute value in predicting decomposition trends of thermodynamically unstable alloys.« less

  14. Exploration of Solar Wind Acceleration Region Using Interplanetary Scintillation of Water Vapor Maser Source and Quasars

    NASA Technical Reports Server (NTRS)

    Tokumaru, Munetoshi; Yamauchi, Yohei; Kondo, Tetsuro

    2001-01-01

    Single-station observations of interplanetary scintillation UPS) at three microwave frequencies 2, 8, and 22GHz, were carried out between 1989 and 1998 using a large (34-micro farad) radio telescope at the Kashima Space Research Center of the Communications Research Laboratory. The aim of these observations was to explore the near-sun solar wind, which is the key region for the study of the solar wind acceleration mechanism. Strong quasars, 3C279 and 3C273B, were used for the Kashima IPS observations at 2 and 8GHz, and a water-vapor maser source, IRC20431, was used for the IPS observations at 22GHz. Solar wind speeds derived from Kashima IPS data suggest that the solar wind acceleration takes place at radial distances between 10 and 30 solar radii (Rs) from the sun. The properties of the turbulence spectrum (e.g. anisotropy, spectral index, inner scale) inferred from the Kashima data were found to change systematically in the solar wind acceleration region. While the solar wind in the maximum phase appears to be dominated by the slow wind, fast and rarefied winds associated with the coronal holes were found to develop significantly at high latitudes as the solar activity declined. Nevertheless, the Kashima data suggests that the location of the acceleration region is stable throughout the solar cycle.

  15. Exploration of Solar Wind Acceleration Region Using Interplanetary Scintillation of Water Vapor Maser Source and Quasars

    NASA Technical Reports Server (NTRS)

    Tokumaru, Munetoshi; Yamauchi, Yohei; Kondo, Tetsuro

    2001-01-01

    Single-station observations of interplanetary scintillation (IPS) at three microwave frequencies; 2 GHz, 8 GHz and 22 GHz have been carried out between 1989 and 1998 using a large (34 m farad) radio telescope at the Kashima Space Research Center of the Communications Research Laboratory. The aim of these observations is to explore the near-sun solar wind, which is the key region for the study of the solar wind acceleration mechanism. Strong quasars; 3C279 and 3C273B were used for Kashima IPS observations at 2 GHz and 8 GHz, and a water vapor maser source, IRC20431 was used for the IPS observations at 22 GHz. Solar wind velocities derived from Kashima IPS data suggest that the solar wind acceleration takes place at radial distances between 10 and 30 solar radii (R(sub s)) from the sun. Properties of the turbulence spectrum (e.g. anisotropy, spectral index, inner scale) inferred from Kashima data are found to change systematically in the solar wind acceleration region. While the solar wind in the maximum phase appears to be dominated by the slow wind, fast and rarefied winds associated with coronal holes are found to develop significantly at high latitudes as the solar activity declines. Nevertheless, Kashima data suggests that the location of the acceleration region is stable throughout the solar cycle.

  16. Unexpected Ground-State Structure and Mechanical Properties of Ir₂Zr Intermetallic Compound.

    PubMed

    Zhang, Meiguang; Cao, Rui; Zhao, Meijie; Du, Juan; Cheng, Ke

    2018-01-10

    Using an unbiased structure searching method, a new orthorhombic Cmmm structure consisting of ZrIr 12 polyhedron building blocks is predicted to be the thermodynamic ground-state of stoichiometric intermetallic Ir₂Zr in Ir-Zr systems. The formation enthalpy of the Cmmm structure is considerably lower than that of the previously synthesized Cu₂Mg-type phase, by ~107 meV/atom, as demonstrated by the calculation of formation enthalpy. Meanwhile, the phonon dispersion calculations further confirmed the dynamical stability of Cmmm phase under ambient conditions. The mechanical properties, including elastic stability, rigidity, and incompressibility, as well as the elastic anisotropy of Cmmm -Ir₂Zr intermetallic, have thus been fully determined. It is found that the predicted Cmmm phase exhibits nearly elastic isotropic and great resistance to shear deformations within the (100) crystal plane. Evidence of atomic bonding related to the structural stability for Ir₂Zr were manifested by calculations of the electronic structures.

  17. Accelerated healing of cutaneous leishmaniasis in non-healing BALB/c mice using water soluble amphotericin B-polymethacrylic acid

    PubMed Central

    Corware, Karina; Harris, Debra; Teo, Ian; Rogers, Matthew; Naresh, Kikkeri; Müller, Ingrid; Shaunak, Sunil

    2011-01-01

    Cutaneous leishmaniasis (CL) is a neglected tropical disease that causes prominent skin scaring. No water soluble, non-toxic, short course and low cost treatment exists. We developed a new water soluble amphotericin B-polymethacrylic acid (AmB-PMA) using established and scalable chemistries. AmB-PMA was stable for 9 months during storage. In vitro, it was effective against Leishmania spp. promastigotes and amastigote infected macrophages. It was also less toxic and more effective than deoxycholate-AmB, and similar to liposomal AmB. Its in vivo activity was determined in both early and established CL lesion models of Leishmania major infection in genetically susceptible non-healing BALB/c mice. Intradermal AmB-PMA at a total dose of 18 mg of AmB/kg body weight led to rapid parasite killing and lesion healing. No toxicity was seen. No parasite relapse occurred after 80 days follow-up. Histological studies confirmed rapid parasite clearance from macrophages followed by accelerated fibroblast mediated tissue repair, regeneration and cure of the infection. Quantitative mRNA studies of the CL lesions showed that accelerated healing was associated with increased Tumor Necrosis Factor-α and Interferon-γ, and reduced Interleukin-10. These results suggest that a cost-effective AmB-PMA could be used to pharmacologically treat and immunotherapeutically accelerate the healing of CL lesions. PMID:21807409

  18. Defect-related electroluminescence from metal-oxide-semiconductor devices with ZrO2 films on silicon

    NASA Astrophysics Data System (ADS)

    Lv, Chunyan; Zhu, Chen; Wang, Canxing; Li, Dongsheng; Ma, Xiangyang; Yang, Deren

    2016-11-01

    Defect-related electroluminescence (EL) from ZrO2 films annealed under different atmosphere has been realized by means of electrical pumping scheme of metal-oxide-semiconductor (MOS) devices. At the same injection current, the acquired EL from the MOS device with the vacuum-annealed ZrO2 film is much stronger than that from the counterpart with the oxygen-annealed ZrO2 film. This is because the vacuum-annealed ZrO2 film contains more oxygen vacancies and Zr3+ ions. Analysis on the current-voltage characteristic of the ZrO2-based MOS devices indicates the P-F conduction mechanism dominates the electron transportation at the EL-enabling voltages under forward bias. It is tentatively proposed that the recombination of the electrons trapped in multiple oxygen-vacancy-related states with the holes in the defect level pertaining to Zr3+ ions brings about the EL emissions.

  19. Surface thermodynamic stability, electronic and magnetic properties in various (001) surfaces of Zr2CoSn Heusler alloy

    NASA Astrophysics Data System (ADS)

    Yang, Yan; Feng, Zhong-Ying; Zhang, Jian-Min

    2018-05-01

    The spin-polarized first-principles are used to study the surface thermodynamic stability, electronic and magnetic properties in various (001) surfaces of Zr2CoSn Heusler alloy, and the bulk Zr2CoSn Heusler alloy are also discussed to make comparison. The conduction band minimum (CBM) of half-metallic (HM) bulk Zr2CoSn alloy is contributed by ZrA, ZrB and Co atoms, while the valence band maximum (VBM) is contributed by ZrB and Co atoms. The SnSn termination is the most stable surface with the highest spin polarizations P = 77.1% among the CoCo, ZrCo, ZrZr, ZrSn and SnSn terminations of the Zr2CoSn (001) surface. In the SnSn termination of the Zr2CoSn (001) surface, the atomic partial density of states (APDOS) of atoms in the surface, subsurface and third layers are much influenced by the surface effect and the total magnetic moment (TMM) is mainly contributed by the atomic magnetic moments of atoms in fourth to ninth layers.

  20. Facile Synthesis and Characterization of ZrO₂ Nanoparticles via Modified Co-Precipitation Method.

    PubMed

    Ramachandran, M; Subadevi, R; Liu, Wei-Ren; Sivakumar, M

    2018-01-01

    The crystalline Zirconium oxide (ZrO2) nano particles were synthesized using optimized content of Zirconium nitrate (Zr(NO3)2·3H2O) with varying KOH concentration (0.5, 1 and 1.5 M) by co-precipitation method. The thermal history of the precursor was carefully analyzed through Thermogravimetric (TG/DTA) measurement. The as prepared samples were characterized to ensure structural, functional, morphological, compositional, chemical composition and band gap by X-ray diffractometer (XRD), Fourier transform infrared spectroscopy (FTIR), Laser Raman, scanning electron microscopy (SEM), High resolution Transverse Electron Microscopy (HR-TEM), X-ray photo electron spectroscopy (XPS), EDX, Photo luminescence spectroscopy (PL). The monoclinic structure with space group P21/c has been confirmed from XRD (JCPDS 89-9066). The Zr-O stretching vibration and Zr-O2-Zr bending vibrations were confirmed through FTIR analysis. The well dispersed particles with spherical morphology were confirmed through SEM and TEM analysis. The oxidation states of Zr, O and C were confirmed through XPS analysis. The oxygen vacancies and band gap of the particles were investigated through PL analysis.

  1. Transformation behavior of the γU(Zr,Nb) phase under continuous cooling conditions

    NASA Astrophysics Data System (ADS)

    Komar Varela, C. L.; Gribaudo, L. M.; González, R. O.; Aricó, S. F.

    2014-10-01

    The selected alloy for designing a high-density monolithic-type nuclear fuel with U-Zr-Nb alloy as meat and Zry-4 as cladding, has to remain in the γU(Zr,Nb) phase during the whole fabrication process. Therefore, it is necessary to define a range of concentrations in which the γU(Zr,Nb) phase does not decompose under the process conditions. In this work, several U alloys with concentrations between 28.2-66.9 at.% Zr and 0-13.3 at.% Nb were fabricated to study the possible transformations of the γU(Zr,Nb) phase under different continuous cooling conditions. The results of the electrical resistivity vs temperature experiments are presented. For a cooling rate of 4 °C/min a linear regression was determined by fitting the starting decomposition temperature as a function of Nb concentration. Under these conditions, a concentration of 45.3 at.% Nb would be enough to avoid any transformation of the γU(Zr,Nb) phase. In experiments that involve higher cooling conditions, it has been determined that this concentration can be halved.

  2. A small amount of tetrachloroethylene ingestion from drinking water accelerates antigen-stimulated allergic responses.

    PubMed

    Seo, Makoto; Yamagiwa, Takeo; Kobayashi, Ryo; Ikeda, Koji; Satoh, Masahiko; Inagaki, Naoki; Nagai, Hiroichi; Nagase, Hisamitsu

    2008-01-01

    Previously, we observed that tetrachloroethylene (perchloroethylene, PCE) increased histamine release and inflammatory mediator production from antigen-stimulated mast cells. In this study, we examined the enhancing effect of low concentrations of PCE in drinking water on antigen-stimulated allergic responses. After exposure of Wistar rats to PCE in drinking water for 2 or 4 weeks, we performed a passive cutaneous anaphylaxis (PCA) reaction. PCE exposure for 4 weeks enhanced PCA reaction in a dose-dependent manner. In pathological studies, PCE exposure for 2 weeks exacerbated inflammation characterized by infiltration of lymphocytes and accumulation of mast cells around the vessel. Non-purified mast cells (NPMCs) from rats treated with 1mg/L PCE in drinking water for 2 weeks increased antigen-stimulated histamine release. Furthermore, the leukocytes of rats treated with PCE in drinking water for 4 weeks showed increased interleukin (IL)-4 expression. The mechanism of enhancing the PCA reaction is assumed to be that PCE increases IL-4 production and PCE causes T helper (Th) 1/Th2-type helper T-cell imbalance and increases histamine release from excessively accumulated mast cells. The results suggest that the intake of PCE in drinking water, even at a low concentration, leads to the initiation and acceleration of allergic diseases.

  3. Electronic structure and electron energy-loss spectroscopy of ZrO2 zirconia

    NASA Astrophysics Data System (ADS)

    Dash, L. K.; Vast, Nathalie; Baranek, Philippe; Cheynet, Marie-Claude; Reining, Lucia

    2004-12-01

    The atomic and electronic structures of zirconia are calculated within density functional theory, and their evolution is analyzed as the crystal-field symmetry changes from tetrahedral [cubic (c-ZrO2) and tetragonal (t-ZrO2) phases] to octahedral (hypothetical rutile ZrO2 ), to a mixing of these symmetries (monoclinic phase, m-ZrO2 ). We find that the theoretical bulk modulus in c-ZrO2 is 30% larger than the experimental value, showing that the introduction of yttria in zirconia has a significant effect. Electronic structure fingerprints which characterize each phase from their electronic spectra are identified. We have carried out electron energy-loss spectroscopy experiments at low momentum transfer and compared these results to the theoretical spectra calculated within the random phase approximation. We show a dependence of the valence and 4p ( N2,3 edge) plasmons on the crystal structure, the dependence of the latter being brought into the spectra by local-field effects. Last, we attribute low energy excitations observed in EELS of m-ZrO2 to defect states 2eV above the top of the intrinsic valence band, and the EELS fundamental band gap value is reconciled with the 5.2 or 5.8eV gaps determined by vacuum ultraviolet spectroscopy.

  4. A basin-hopping Monte Carlo investigation of the structural and energetic properties of 55- and 561-atom bimetallic nanoclusters: the examples of the ZrCu, ZrAl, and CuAl systems.

    PubMed

    De Souza, Douglas G; Cezar, Henrique M; Rondina, Gustavo G; de Oliveira, Marcelo F; Da Silva, Juarez L F

    2016-05-05

    We report a basin-hopping Monte Carlo investigation within the embedded-atom method of the structural and energetic properties of bimetallic ZrCu, ZrAl, and CuAl nanoclusters with 55 and 561 atoms. We found that unary Zr55, Zr561, Cu55, Cu561, Al55, and Al561 systems adopt the well known compact icosahedron (ICO) structure. The excess energy is negative for all systems and compositions, which indicates an energetic preference for the mixing of both chemical species. The ICO structure is preserved if a few atoms of the host system are replaced by different species, however, the composition limit in which the ICO structure is preserved depends on both the host and new chemical species. Using several structural analyses, three classes of structures, namely ideal ICO, nearly ICO, and distorted ICO structures, were identified. As the amounts of both chemical species change towards a more balanced composition, configurations far from the ICO structure arise and the dominant structures are nearly spherical, which indicates a strong minimization of the surface energy by decreasing the number of atoms with lower coordination on the surface. The average bond lengths follow Vegard's law almost exactly for ZrCu and ZrAl, however, this is not the case for CuAl. Furthermore, the radial distribution allowed us to identify the presence of an onion-like behavior in the surface of the 561-atom CuAl nanocluster with the Al atoms located in the outermost surface shell, which can be explained by the lower surface energies of the Al surfaces compared with the Cu surfaces. In ZrCu and ZrAl the radial distribution indicates a nearly homogeneous distribution for the chemical species, however, with a slightly higher concentration of Al atoms on the ZrAl surface, which can also be explained by the lower surface energy.

  5. Alternative Chelator for 89Zr Radiopharmaceuticals: Radiolabeling and Evaluation of 3,4,3-(LI-1,2-HOPO)

    PubMed Central

    2015-01-01

    Zirconium-89 is an effective radionuclide for antibody-based positron emission tomography (PET) imaging because its physical half-life (78.41 h) matches the biological half-life of IgG antibodies. Desferrioxamine (DFO) is currently the preferred chelator for 89Zr4+; however, accumulation of 89Zr in the bones of mice suggests that 89Zr4+ is released from DFO in vivo. An improved chelator for 89Zr4+ could eliminate the release of osteophilic 89Zr4+ and lead to a safer PET tracer with reduced background radiation dose. Herein, we present an octadentate chelator 3,4,3-(LI-1,2-HOPO) (or HOPO) as a potentially superior alternative to DFO. The HOPO ligand formed a 1:1 Zr-HOPO complex that was evaluated experimentally and theoretically. The stability of 89Zr-HOPO matched or surpassed that of 89Zr-DFO in every experiment. In healthy mice, 89Zr-HOPO cleared the body rapidly with no signs of demetalation. Ultimately, HOPO has the potential to replace DFO as the chelator of choice for 89Zr-based PET imaging agents. PMID:24814511

  6. Low-temperature synthesis of nanocrystalline ZrC coatings on flake graphite by molten salts

    NASA Astrophysics Data System (ADS)

    Ding, Jun; Guo, Ding; Deng, Chengji; Zhu, Hongxi; Yu, Chao

    2017-06-01

    A novel molten salt synthetic route has been developed to prepare nanocrystalline zirconium carbide (ZrC) coatings on flake graphite at 900 °C, using Zr powder and flake graphite as the source materials in a static argon atmosphere, along with molten salts as the media. The effects of different molten salt media, the sintered temperature, and the heat preservation time on the phase and microstructure of the synthetic materials were investigated. The ZrC coatings formed on the flake graphite were uniform and composed of nanosized particles (30-50 nm). With an increase in the reaction temperature, the ZrC nanosized particles were more denser, and the heat preservation time and thickness of the ZrC coating also increased accordingly. Electron microscopy was used to observe the ZrC coatings on the flake graphite, indicating that a "template mechanism" played an important role during the molten salt synthesis.

  7. Competitive Heterogeneous Nucleation Between Zr and MgO Particles in Commercial Purity Magnesium

    NASA Astrophysics Data System (ADS)

    Peng, G. S.; Wang, Y.; Fan, Z.

    2018-04-01

    Grain refining of commercial purity (CP) Mg by Zr addition with intensive melt shearing prior to solidification has been investigated. Experimental results showed that, when intensive melt shearing is imposed prior to solidification, the grain structure of CP Mg exhibits a complex changing pattern with increasing Zr addition. This complex behavior can be attributed to the change of nucleating particles in terms of their crystal structure, size, and number density with varied Zr additions. Naturally occurring MgO particles are found to be {100} faceted with a cubic morphology and 50 to 300 nm in size. Such MgO particles are usually populated densely in a liquid film (usually referred as oxide film) and can be effectively dispersed by intensive melt shearing. It has been confirmed that the dispersed MgO particles can act as nucleating substrates resulting in a significant grain refinement of CP Mg when no other more potent particles are present in the melt. However, Zr particles in the Mg-Zr alloys are more potent than MgO particles for nucleation of Mg due to their same crystal structure and similar lattice parameters with Mg. With the addition of Zr, Zr and the MgO particles co-exist in the melt. Grain refining efficiency is closely related to the competition for heterogeneous nucleation between Zr and the MgO particles. The final solidified microstructure is mainly determined by the interplay of three factors: nucleation potency (measured by lattice misfit), particle size, and particle number density.

  8. Competitive Heterogeneous Nucleation Between Zr and MgO Particles in Commercial Purity Magnesium

    NASA Astrophysics Data System (ADS)

    Peng, G. S.; Wang, Y.; Fan, Z.

    2018-06-01

    Grain refining of commercial purity (CP) Mg by Zr addition with intensive melt shearing prior to solidification has been investigated. Experimental results showed that, when intensive melt shearing is imposed prior to solidification, the grain structure of CP Mg exhibits a complex changing pattern with increasing Zr addition. This complex behavior can be attributed to the change of nucleating particles in terms of their crystal structure, size, and number density with varied Zr additions. Naturally occurring MgO particles are found to be {100} faceted with a cubic morphology and 50 to 300 nm in size. Such MgO particles are usually populated densely in a liquid film (usually referred as oxide film) and can be effectively dispersed by intensive melt shearing. It has been confirmed that the dispersed MgO particles can act as nucleating substrates resulting in a significant grain refinement of CP Mg when no other more potent particles are present in the melt. However, Zr particles in the Mg-Zr alloys are more potent than MgO particles for nucleation of Mg due to their same crystal structure and similar lattice parameters with Mg. With the addition of Zr, Zr and the MgO particles co-exist in the melt. Grain refining efficiency is closely related to the competition for heterogeneous nucleation between Zr and the MgO particles. The final solidified microstructure is mainly determined by the interplay of three factors: nucleation potency (measured by lattice misfit), particle size, and particle number density.

  9. Facile preparation of highly pure KF-ZrF4 molten salt

    NASA Astrophysics Data System (ADS)

    Zong, Guoqiang; Cui, Zhen-Hua; Zhang, Zhi-Bing; Zhang, Long; Xiao, Ji-Chang

    2018-03-01

    The preparation of highly pure KF-ZrF4 (FKZr) molten salt, a potential secondary coolant in molten salt reactors, was realized simply by heating a mixture of (NH4)2ZrF6 and KF. X-ray diffraction analysis indicated that the FKZr molten salt was mainly composed of KZrF5 and K2ZrF6. The melting point of the prepared FKZr molten salt was 420-422 °C under these conditions. The contents of all metal impurities were lower than 20 ppm, and the content of oxygen was lower than 400 ppm. This one-step protocol avoids the need for a tedious procedure to prepare ZrF4 and for an additional purification process to remove oxide impurities, and is therefore a convenient, efficient and economic preparation method for high-purity FKZr molten salt.

  10. Evaluation of 89Zr-pertuzumab in Breast Cancer Xenografts

    DOE PAGES

    Marquez, Bernadette V.; Ikotun, Oluwatayo F.; Zheleznyak, Alexander; ...

    2014-07-24

    Here, pertuzumab is a monoclonal antibody that binds to HER2 and is used in combination with another HER2–specific monoclonal antibody, trastuzumab, for the treatment of HER2+ metastatic breast cancer. Pertuzumab binds to an HER2 binding site distinct from that of trastuzumab, and its affinity is enhanced when trastuzumab is present. We aim to exploit this enhanced affinity of pertuzumab for its HER2 binding epitope and adapt this antibody as a PET imaging agent by radiolabeling with 89Zr to increase the sensitivity of HER2 detection in vivo. Here, we investigate the biodistribution of 89Zr-pertuzumab in HER2–expressing BT-474 and HER2–nonexpressing MDA-MB-231 xenograftsmore » to quantitatively assess HER2 expression in vivo. In vitro cell binding studies were performed resulting in retained immunoreactivity and specificity for HER2–expressing cells. In vivo evaluation of 89Zr-pertuzumab was conducted in severely combined immunodeficient mice, subcutaneously inoculated with BT-474 and MDA-MB-231 cells. 89Zr-pertuzumab was systemically administered and imaged at 7 days postinjection (p.i.) followed by terminal biodistribution studies. Higher tumor uptake was observed in BT-474 compared to MDA-MB-231 xenografts with 47.5 ± 32.9 and 9.5 ± 1.7% ID/g, respectively at 7 days p.i (P = 0.0009) and blocking studies with excess unlabeled pertuzumab showed a 5-fold decrease in BT-474 tumor uptake (P = 0.0006), confirming the in vivo specificity of this radiotracer. Importantly, we observed that the tumor accumulation of 89Zr-pertuzumab was increased in the presence of unlabeled trastuzumab, at 173 ± 74.5% ID/g (P = 0.01). Biodistribution studies correlate with PET imaging quantification using max SUV (r = 0.98, P = 0.01). Collectively, these results illustrate that 89Zr-pertuzumab as a PET imaging agent may be beneficial for the quantitative and noninvasive assessment of HER2 expression in vivo especially for patients undergoing trastuzumab therapy.« less

  11. Thermodynamic Modeling of the YO(l.5)-ZrO2 System

    NASA Technical Reports Server (NTRS)

    Jacobson, Nathan S.; Liu, Zi-Kui; Kaufman, Larry; Zhang, Fan

    2003-01-01

    The YO1.5-ZrO2 system consists of five solid solutions, one liquid solution, and one intermediate compound. A thermodynamic description of this system is developed, which allows calculation of the phase diagram and thermodynamic properties. Two different solution models are used-a neutral species model with YO1.5 and ZrO2 as the components and a charged species model with Y(+3), Zr(+4), O(-2), and vacancies as components. For each model, regular and sub-regular solution parameters are derived fiom selected equilibrium phase and thermodynamic data.

  12. The affects of doping Eu 3+ on structures and morphology of ZrO 2 nanocrystals

    NASA Astrophysics Data System (ADS)

    Yu, Lixin; Liu, Hai; Nogami, Masayuki

    2010-07-01

    The ZrO 2 and ZrO 2:Eu 3+ nanocrystals (NCs) were prepared by a hydrothermal method. The samples were sintered at different temperatures (500, 800 and 1100 °C). The results indicate that the Eu 3+ ions affect not only the structures of hosts (ZrO 2), but also the morphology of hosts. The shape of ZrO 2:Eu 3+ NCs heated at 1100 °C is the one-dimensional nanorod, while is the zero-dimensional nanoparticle for pure ZrO 2 samples sintered at the same temperature. The excitation and emission spectra of ZrO 2:Eu 3+ NCs were studied. In excitation spectra, the charge transfer band of Eu 3+ in ZrO 2 NCs heated at 1100 °C evidently blue-shifts in comparison with the NCs calcined at 500 and 800 °C. The relative intensity of 5D-7F transitions of Eu 3+ ions and color chromaticity for nanorods are increased in comparison with the nanoparticles.

  13. Reactions and products in the Cs-Zr-I-O system relevant to fission product chemistry — a review

    NASA Astrophysics Data System (ADS)

    Chen, T.-M.; Kauzlarich, S. M.; Corbett, J. D.

    1988-02-01

    Some results and problems associated with the known chemistry of cesium and iodine in the presence of Zr/ZrO 2 at 400-600°C and under anaerobic conditions are described and discussed. These aspects include (1) the recently synthesized cesium zirconates Cs 2ZrO 3 and Cs 4ZrO 4 and some of their thermal and hydrolytic properties (2) the demonstration that the supposedly stable CsI reacts with ZrO 2 at 400-700°C to form Cs 2ZrO 3 and ZrI 4 (as Cs 2ZrI 6) and its implications regarding cesium and iodine distributions (3) present knowledge of binary zirconium iodides, their contamination reactions, and the limited inhibition of the reduction of ZrI 4 by metal provided by static ZrO 2 films (4) newly discovered ternary and quaternary zirconium iodides that are obtained in the presence of many common impurity atoms and, when prsesent, CsI (e.g., Zr 6I 12C, CsZr 6I 14C, Zr 6I 14Fe), the ease with which some of those form at least as low as 450°C, and the complications these and related new phases provide.

  14. Improved Tribological Performance of Amorphous Carbon (a-C) Coating by ZrO2 Nanoparticles

    PubMed Central

    Tang, Jinzhu; Ding, Qi; Zhang, Songwei; Wu, Guizhi; Hu, Litian

    2016-01-01

    Nanomaterials, such as Graphene, h-BN nanoparticles and MoS2 nanotubes, have shown their ability in improving the tribological performance of amorphous carbon (a-C) coatings. In the current study, the effectiveness of ZrO2 nanoparticles (ZrO2-NPs) in lubricating the self-mated nonhydrogenated a-C contacts was investigated in boundary lubrication regime. The results showed that 13% less friction and 50% less wear compared to the base oil were achieved by employing ZrO2-NPs in the base oil in self-mated a-C contacts. Via analyzing the ZrO2-NPs and the worn a-C surface after tests, it was found that the improved lubrication by ZrO2-NPs was based on “polishing effects”, which is a new phenomenon observed between a-C and nanoparticles. Under the “polishing effect”, micro-plateaus with extremely smooth surface and uniform height were produced on the analyzed a-C surface. The resulting topography of the a-C coating is suitable for ZrO2-NPs to act as nano-bearings between rubbing surfaces. Especially, the ZrO2-NPs exhibited excellent mechanical and chemical stability, even under the severe service condition, suggesting that the combination of nonhydrogenated a-C coating with ZrO2-NPs is an effective, long lasting and environment-friendly lubrication solution. PMID:28773916

  15. A pseudopotential approach to the superconducting state properties of Cu Zr metallic glasses

    NASA Astrophysics Data System (ADS)

    Sharma, Smita; Sharma, K. S.; Khan, Haniph

    2004-03-01

    The superconducting state properties of the nine metallic glasses of Cu1-cZrc system have been investigated in the BCS-Eliashberg-McMillan framework by extending this theory to the binary metallic glasses. The values of superconducting state parameters, namely, the electron-phonon coupling strength (lgr), Coulomb pseudopotential (mgr*), transition temperature (Tc), isotope effect exponent (agr) and interaction strength (NoV) of Cu-Zr metallic glasses in the range 0.40 \\le c \\le 0.75 of Zr in Cu have been worked out using Ashcroft's potential along with the RPA form of the dielectric screening. The present results for Tc show an excellent agreement with the experimental data. The values of Tc, agr and NoV are found to decrease continuously with increase of the Cu concentration in Zr, showing that Zr rich Cu-Zr glasses are favoured materials for superconductivity.

  16. Selenidation of epitaxial silicene on ZrB2

    NASA Astrophysics Data System (ADS)

    Wiggers, F. B.; Yamada-Takamura, Y.; Kovalgin, A. Y.; de Jong, M. P.

    2018-01-01

    The deposition of elemental Se on epitaxial silicene on ZrB2 thin films was investigated with synchrotron-based core-level photoelectron spectroscopy and low-energy electron diffraction. The deposition of Se at room temperature caused the appearance of Si 2p peaks with chemical shifts of n × 0.51 ± 0.04 eV (n = 1-4), suggesting the formation of SiSe2. This shows that capping the silicene monolayer, without affecting its structural and electronic properties, is not possible with Se. The annealing treatments that followed caused the desorption of Se and Si, resulting in the etching of the Si atoms formerly part of the silicene layer, and the formation of bare ZrB2(0001) surface area. In addition, a ZrB2(0001)-(√7 × 3)R40.9° surface reconstruction was observed, attributed to a Se-termination of the surface of the transition metal diboride thin film.

  17. Novel Bifunctional Cyclic Chelator for 89Zr Labeling–Radiolabeling and Targeting Properties of RGD Conjugates

    PubMed Central

    2015-01-01

    Within the last years 89Zr has attracted considerable attention as long-lived radionuclide for positron emission tomography (PET) applications. So far desferrioxamine B (DFO) has been mainly used as bifunctional chelating system. Fusarinine C (FSC), having complexing properties comparable to DFO, was expected to be an alternative with potentially higher stability due to its cyclic structure. In this study, as proof of principle, various FSC-RGD conjugates targeting αvß3 integrins were synthesized using different conjugation strategies and labeled with 89Zr. In vitro stability, biodistribution, and microPET/CT imaging were evaluated using [89Zr]FSC-RGD conjugates or [89Zr]triacetylfusarinine C (TAFC). Quantitative 89Zr labeling was achieved within 90 min at room temperature. The distribution coefficients of the different radioligands indicate hydrophilic character. Compared to [89Zr]DFO, [89Zr]FSC derivatives showed excellent in vitro stability and resistance against transchelation in phosphate buffered saline (PBS), ethylenediaminetetraacetic acid solution (EDTA), and human serum for up to 7 days. Cell binding studies and biodistribution as well as microPET/CT imaging experiments showed efficient receptor-specific targeting of [89Zr]FSC-RGD conjugates. No bone uptake was observed analyzing PET images indicating high in vivo stability. These findings indicate that FSC is a highly promising chelator for the development of 89Zr-based PET imaging agents. PMID:25941834

  18. Preparation and characterization of Mg-Zr mixed oxide aerogels and their application as aldol condensation catalysts.

    PubMed

    Sádaba, Irantzu; Ojeda, Manuel; Mariscal, Rafael; Richards, Ryan; López Granados, Manuel

    2012-10-08

    A series of Mg-Zr mixed oxides with different nominal Mg/(Mg+Zr) atomic ratios, namely 0, 0.1, 0.2, 0.4, 0.85, and 1, is prepared by alcogel methodology and fundamental insights into the phases obtained and resulting active sites are studied. Characterization is performed by X-ray diffraction, transmission electron microscopy, X-ray photoelectron spectroscopy, N(2) adsorption-desorption isotherms, and thermal and chemical analysis. Cubic Mg(x)Zr(1-x)O(2-x) solid solution, which results from the dissolution of Mg(2+) cations within the cubic ZrO(2) structure, is the main phase detected for the solids with theoretical Mg/(Mg+Zr) atomic ratio ≤0.4. In contrast, the cubic periclase (c-MgO) phase derived from hydroxynitrates or hydroxy precursors predominates in the solid with Mg/(Mg+Zr)=0.85. c-MgO is also incipiently detected in samples with Mg/(Mg+Zr)=0.2 and 0.4, but in these solids the c-MgO phase mostly arises from the segregation of Mg atoms out of the alcogel-derived c-Mg(x)Zr(1-x)O(2-x) phase during the calcination process, and therefore the species c-MgO and c-Mg(x)Zr(1-x)O(2-x) are in close contact. Regarding the intrinsic activity in furfural-acetone aldol condensation in the aqueous phase, these Mg-O-Zr sites located at the interface between c-Mg(x)Zr(1-x)O(2-x) and segregated c-MgO display a much larger intrinsic activity than the other noninterface sites that are present in these catalysts: Mg-O-Mg sites on c-MgO and Mg-O-Zr sites on c-Mg(x)Zr(1-x)O(2-x). The very active Mg-O-Zr sites rapidly deactivate in the furfural-acetone condensation due to the leaching of active phases, deposition of heavy hydrocarbonaceous compounds, and hydration of the c-MgO phase. Nonetheless, these Mg-Zr materials with very high specific surface areas would be suitable solid catalysts for other relevant reactions catalyzed by strong basic sites in nonaqueous environments. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  19. Comparison of the octadentate bifunctional chelator DFO*-pPhe-NCS and the clinically used hexadentate bifunctional chelator DFO-pPhe-NCS for 89Zr-immuno-PET.

    PubMed

    Vugts, Danielle J; Klaver, Chris; Sewing, Claudia; Poot, Alex J; Adamzek, Kevin; Huegli, Seraina; Mari, Cristina; Visser, Gerard W M; Valverde, Ibai E; Gasser, Gilles; Mindt, Thomas L; van Dongen, Guus A M S

    2017-02-01

    All clinical 89 Zr-immuno-PET studies are currently performed with the chelator desferrioxamine (DFO). This chelator provides hexadentate coordination to zirconium, leaving two coordination sites available for coordination with, e.g., water molecules, which are relatively labile ligands. The unsaturated coordination of DFO to zirconium has been suggested to result in impaired stability of the complex in vivo and consequently in unwanted bone uptake of 89 Zr. Aiming at clinical improvements, we report here on a bifunctional isothiocyanate variant of the octadentate chelator DFO* and the in vitro and in vivo comparison of its 89 Zr-DFO*-mAb complex with 89 Zr-DFO-mAb. The bifunctional chelator DFO*-pPhe-NCS was prepared from previously reported DFO* and p-phenylenediisothiocyanate. Subsequently, trastuzumab was conjugated with either DFO*-pPhe-NCS or commercial DFO-pPhe-NCS and radiolabeled with Zr-89 according to published procedures. In vitro stability experiments were carried out in saline, a histidine/sucrose buffer, and blood serum. The in vivo performance of the chelators was compared in N87 tumor-bearing mice by biodistribution studies and PET imaging. In 0.9 % NaCl 89 Zr-DFO*-trastuzumab was more stable than 89 Zr-DFO-trastuzumab; after 72 h incubation at 2-8 °C 95 % and 58 % intact tracer were left, respectively, while in a histidine-sucrose buffer no difference was observed, both products were ≥ 92 % intact. In vivo uptake at 144 h post injection (p.i.) in tumors, blood, and most normal organs was similar for both conjugates, except for skin, liver, spleen, ileum, and bone. Tumor uptake was 32.59 ± 11.95 and 29.06 ± 8.66 % ID/g for 89 Zr-DFO*-trastuzumab and 89 Zr-DFO-trastuzumab, respectively. The bone uptake was significantly lower for 89 Zr-DFO*-trastuzumab compared to 89 Zr-DFO-trastuzumab. At 144 h p.i. for 89 Zr-DFO*-trastuzumab and 89 Zr-DFO-trastuzumab, the uptake in sternum was 0.92 ± 0.16 and 3.33 ± 0.32 % ID

  20. A combined experimental and theoretical study on ethanol conversion to propylene over Y/ZrO2 catalyst

    NASA Astrophysics Data System (ADS)

    Wang, Fangfang; Xia, Wei; Mu, Xichuan; Chen, Kun; Si, Huimin; Li, Zhihao

    2018-05-01

    ZrO2-based catalysts doped with Y were prepared by co-precipitation method. The effect of yttrium modification on the selective conversion of bio-ethanol to propylene over ZrO2 catalysts was investigated. The physical and chemical properties of the catalysts were characterized by N2 adsorption-desorption method, temperature programmed desorption and X-ray diffraction. The maximum yield of propylene reached 44.0% over 0.03Y/ZrO2 catalyst. A coordination of acid-base properties accounts for the remarkable improvement of reaction activities over Y-doped ZrO2 catalysts in this investigation. On the basis of calculation results, it can be concluded that significant charge transfer occurs as a result of introduction of Y or O-vacancy. The adsorption of ethanol and propylene on perfect t-ZrO2 (1 0 1), defect t-ZrO2 (1 0 1) and Y/ZrO2 (1 0 1) surfaces were investigated with density functional theory (DFT). The adsorption for ethanol on Y/ZrO2 (1 0 1) and defect t-ZrO2 (1 0 1) surfaces are more stable than that on perfect t-ZrO2 (1 0 1). On the defect t-ZrO2 (1 0 1) surface, ethanol dominantly absorbs at the O-vacancy site, indicating that O-vacancy becomes the favorable adsorption site. On the Y/ZrO2 (1 0 1) and defect t-ZrO2 (1 0 1) surfaces, the adsorption energy of propylene decreases, which makes propylene desorb quickly after formation.

  1. Adsorption of arsenic on multiwall carbon nanotube-zirconia nanohybrid for potential drinking water purification.

    PubMed

    Ntim, Susana Addo; Mitra, Somenath

    2012-06-01

    The adsorptive removal of arsenic from water using a multiwall carbon nanotube-zirconia nanohybrid (MWCNT-ZrO(2)) is presented. The MWCNT-ZrO(2) with 4.85% zirconia was effective in meeting the drinking water standard levels of 10 μg L(-1). The absorption capacity of the composite were 2000 μg g(-1) and 5000 μg g(-1) for As(III) and As(V) respectively, which were significantly higher than those reported previously for iron oxide coated MWCNTs. The adsorption of As(V) on MWCNT-ZrO(2) was faster than that of As(III), and a pseudo-second order rate equation effectively described the uptake kinetics. The adsorption isotherms for As(III) and As(V) fitted both the Langmuir and Freundlich models. A major advantage of the MWCNT-ZrO(2) was that the adsorption capacity was not a function of pH. Copyright © 2012 Elsevier Inc. All rights reserved.

  2. Effects of Dopant on the Dielectric Properties of CaZrO3 Ceramic Sintered in a Reducing Atmosphere

    NASA Astrophysics Data System (ADS)

    Lee, W. S.; Su, C. Y.; Lee, Y. C.; Lin, S. P.; Yang, Tony

    2006-07-01

    In this study, the influence of CaZrO3 doped with three dopants, SiO2, MnO, and Nb2O5, and then sintered in a reducing atmosphere on microstructure, phase formation, and electrical properties is investigated. SiO2 plays the role of sintering aid to enhance the density of CaZrO3 leading to better performance of electrical properties as a function of SiO2 content. MnO, and Nb2O5 were incorporated into the Zr-site of CaZrO3 to make stoichometric CaZrO3 into non-stoichiometric CaZrO3 with Zr excess resulting in the formation of a second phase, CaZr4O9, which has a lower dielectric constant (13) in comparison with that of the main phase of CaZrO3 (32). Thus, the dielectric constant of CaZrO3 doped with Nb2O5, or MnO is decreased markedly. In addition, Mn+2 incorporated into Zr-sites of CaZrO3 plays the role of acceptor, which compensates for the number of conduction electrons and contributes to better performance of electrical properties such as insulation resistance and \\tanδ. Conversely, Nb+5 incorporated into Zr-sites of CaZrO3 plays the role of donor and provides more conduction electrons, leading to poor performance of electrical properties.

  3. Self-consistent full-potential linearized-augmented-plane-wave local-density electronic-structure studies of magnetism and superconductivity in C15 compounds: ZrZn/sub 2/ and ZrV/sub 2/

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Huang, M.; Jansen, H.J.F.; Freeman, A.J.

    The electronic structure and properties of the cubic Laves phase (C15) compounds ZrZn/sub 2/ and ZrV/sub 2/ have been determined using our all-electron full-potential linearized-augmented-plane-wave (FLAPW) method for bulk solids. The computations were performed in two stages: (i) self-consistent warped muffin tin and (ii) self-consistent full potential. Spin-orbit coupling was included after either stage. The effects of the inclusion of the nonspherical terms inside the muffin tins on the eigenvalues is found to be small (of order 1 mRy). However, due to the fact that some of the bands near the Fermi level are flat, this effect leads to amore » much higher value of the density of states at E/sub F/ in ZnZr/sub 2/. The most important difference between the materials ZrZn/sub 2/ and ZrV/sub 2/ is the position of the d bands derived from the Zr and V atoms. Consequently, these materials have completely different Fermi surfaces. We have investigated the magnetic properties of these compounds by evaluating their generalized Stoner factors and found agreement with experiment. Our results for the superconducting transition temperature for these materials is found to be strongly dependent on the spin fluctuation parameter ..mu../sub sp/. Of course, because of the magnetic transition, superconductivity cannot be observed in ZnZr/sub 2/.« less

  4. Atom probe tomographic studies of precipitation in Al-0.1Zr-0.1Ti (at.%) alloys.

    PubMed

    Knipling, Keith E; Dunand, David C; Seidman, David N

    2007-12-01

    Atom probe tomography was utilized to measure directly the chemical compositions of Al(3)(Zr(1)-(x)Ti(x)) precipitates with a metastable L1(2) structure formed in Al-0.1Zr-0.1Ti (at.%) alloys upon aging at 375 degrees C or 425 degrees C. The alloys exhibit an inhomogeneous distribution of Al(3)(Zr(1)-(x)Ti(x)) precipitates, as a result of a nonuniform dendritic distribution of solute atoms after casting. At these aging temperatures, the Zr:Ti atomic ratio in the precipitates is about 10 and 5, respectively, indicating that Ti remains mainly in solid solution rather than partitioning to the Al(3)(Zr(1)-(x)Ti(x)) precipitates. This is interpreted as being due to the very small diffusivity of Ti in alpha-Al, consistent with prior studies on Al-Sc-Ti and Al-Sc-Zr alloys, where the slower diffusing Zr and Ti atoms make up a small fraction of the Al(3)(Zr(1)-(x)Ti(x)) precipitates. Unlike those alloys, however, the present Al-Zr-Ti alloys exhibit no interfacial segregation of Ti at the matrix/precipitate heterophase interface, a result that may be affected by a significant disparity in the evaporation fields of the alpha-Al matrix and Al(3)(Zr(1)-(x)Ti(x)) precipitates and/or a lack of local thermodynamic equilibrium at the interface.

  5. ZrO2 film interfaces with Si and SiO2

    NASA Astrophysics Data System (ADS)

    Lopez, C. M.; Suvorova, N. A.; Irene, E. A.; Suvorova, A. A.; Saunders, M.

    2005-08-01

    The interface formed by the thermal oxidation of sputter-deposited Zr metal onto Si(100)- and SiO2-coated Si(100) wafers was studied in situ and in real time using spectroscopic ellipsometry (SE) in the 1.5-4.5 photon energy range and mass spectrometry of recoiled ions (MSRI). SE yielded optical properties for the film and interface and MSRI yielded film and interface composition. An optical model was developed and verified using transmission electron microscopy. Interfacial reaction of the ZrO2 was observed for both substrates, with more interaction for Si substrates. Equivalent oxide thicknesses and interface trap levels were determined on capacitors with lower trap levels found on samples with a thicker SiO2 underlayer. In addition to the optical properties for the intermixed interface layer, the optical properties for Zr metal and unreacted ZrO2 are also reported.

  6. Synthesis and magnetic properties of Zr doped ZnO Nanoparticles.

    PubMed

    Zhang, Jing; Gao, Daqiang; Yang, Guijin; Zhang, Jinlin; Shi, Zhenhua; Zhang, Zhaohui; Zhu, Zhonghua; Xue, Desheng

    2011-11-10

    Zr doped ZnO nanoparticles are prepared by the sol-gel method with post-annealing. X-ray diffraction results show that all samples are the typical hexagonal wurtzite structure without any other new phase, as well as the Zr atoms have successfully entered into the ZnO lattices instead of forming other lattices. Magnetic measurements indicate that all the doping samples show room temperature ferromagnetism and the pure ZnO is paramagneism. The results of Raman and X-ray photoelectron spectroscopy indicate that there are a lot of oxygen vacancies in the samples by doping element of Zr. It is considered that the observed ferromagnetism is related to the doping induced oxygen vacancies.

  7. The improvement of retention time of metal-ferroelectric (PbZr0.53Ti0.47O3)-insulator (ZrO2)-semiconductor transistors and capacitors by leakage current reduction using surface treatment

    NASA Astrophysics Data System (ADS)

    Shih, Wen-Chieh; Kang, Kun-Yung; Lee, Joseph Ya-Min

    2007-11-01

    Metal-ferroelectric-insulator-semiconductor transistors (MFISFETs) and capacitors with the structure of Al /Pb (Zr0.53,Ti0.47) O3/ZrO2/Si were fabricated. The wafers were pretreated with H2O2 before ZrO2 deposition and/or post-treated with HCl after ZrO2 deposition. The leakage current density at 5V is reduced from 10-1to5×10-6A /cm2. The subthreshold slope was improved to 91mV/decade. The MFISFETs maintain a threshold voltage window of about 1.1V after an elapsed time of 3000s. The mobility is 267cm2/Vs. The improvements are most likely due to the reduction of interfacial layer thickness and the interface states at the ZrO2/Si interface.

  8. Properties and rapid low-temperature consolidation of nanocrystalline Fe-ZrO2 composite by pulsed current activated sintering

    NASA Astrophysics Data System (ADS)

    Kang, Hyun-Su; Ko, In-Yong; Yoon, Jin-Kook; Doh, Jung-Mann; Hong, Kyung-Tae; Shon, In-Jin

    2011-02-01

    Nanopowders of Fe and ZrO2 were synthesized from Fe2O3 and Zr by high-energy ball milling. The powder sizes of Fe and ZrO2 were 70 nm and 12 nm, respectively. Highly dense nanostructured 4/3Fe-ZrO2 composite was consolidated by a pulsed current activated sintering method within 1 minute from the mechanically synthesized powders (Fe-ZrO2) and horizontal milled Fe2O3+Zr powders under the 1 GPa pressure. The grain sizes of Fe and ZrO2 in the composite were calculated. The average hardness and fracture toughness values of nanostuctured 4/3Fe-ZrO2 composite were investigated.

  9. Novel high-pressure phase of ZrO{sub 2}: An ab initio prediction

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Durandurdu, Murat, E-mail: murat.durandurdu@agu.edu.tr

    2015-10-15

    The high-pressure behavior of the orthorhombic cotunnite type ZrO{sub 2} is explored using an ab initio constant pressure technique. For the first time, a novel hexagonal phase (Ni{sub 2}In type) within P6{sub 3}/mmc symmetry is predicted through the simulation. The Ni{sub 2}In type crystal is the densest high-pressure phase of ZrO{sub 2} proposed so far and has not been observed in other metal dioxides at high pressure before. The phase transformation is accompanied by a small volume drop and likely to occur around 380 GPa in experiment. - Graphical abstract: Post-cotunnite Ni{sub 2}In type hexagonal phase forms in zirconia atmore » high pressure. - Highlights: • A post-cotunnite phase is predicted for ZrO{sub 2} through an ab initio simulation. • Cotunnite ZrO{sub 2} adopts the Ni{sub 2}In type structure at high pressure. • The Ni{sub 2}In type structure is the densest high-pressure phase of ZrO{sub 2} proposed so far. • The preferred mechanism in ZrO{sub 2} differs from the other metal dioxides.« less

  10. Fabrication and magnetic properties of Fe and Co co-doped ZrO2

    NASA Astrophysics Data System (ADS)

    Okabayashi, J.; Kono, S.; Yamada, Y.; Nomura, K.

    2011-12-01

    We investigate the effects of Fe and Co co-doping on the magnetic and electronic properties of ZrO2 ceramics prepared by a sol-gel method, and study their dependence on the annealing temperature. Dilute Fe and Co co-doping into ZrO2 exhibits ferromagnetic behavior at room temperature for annealing temperatures above 900 °C, accompanying the phase transition from tetragonal to monoclinic structure in ZrO2. The electronic structures are studied by x-ray absorption spectroscopy and Mössbauer spectroscopy, which suggest that the Fe3+ and Co2+/Co3+ mixing states are dominant in Fe and Co co-doped ZrO2.

  11. Nanocrystallization in Cu-Zr-Al-Sm Bulk Metallic Glasses

    NASA Astrophysics Data System (ADS)

    Sikan, Fatih; Yasar, Bengisu; Kalay, Ilkay

    2018-04-01

    The effect of rare-earth element (Sm) microalloying on the thermal stability and crystallization kinetics of melt-spun ribbons and suction-cast rods of Zr48Cu38.4Al9.6Sm4 alloy were investigated using differential scanning calorimetry (DSC), X-ray diffraction (XRD), transmission electron microscopy (TEM), and atom probe tomography (APT). The XRD results of constant heating rate annealing indicated that amorphous Zr48Cu38.4Al9.6Sm4 melt-spun ribbons devitrifies into Cu2Sm at 673 K (400 °C). The sequence continues with the precipitation of Cu10Zr7 and then these two phases coexist. XRD and TEM studies on 1 mm diameter as suction-cast rods indicated the precipitation of 30-nm-mean size Cu2Sm crystals during solidification. TEM investigation of the isothermal crystallization sequence of melt-spun ribbons and 1-mm-diameter suction-cast rods revealed the precipitation of Cu2Sm nanocrystals at the onset of crystallization and the restriction of the growth of these nanocrystals up to 10 nm diameter with further annealing. APT analysis of 1-mm-diameter suction-cast rods showed that the limited growth of Cu2Sm nanocrystals is due to sluggish diffusion of Sm and Al-Zr pile up at the interface.

  12. As-Cast Icosashedral Quasicrystals in Ti-Zr-Ni Alloys

    NASA Astrophysics Data System (ADS)

    Lee, Geun Woo; Gangopadhyay, Anup K.; Kelton, Kenneth F.

    2002-03-01

    Most Ti-based icosahedral quasicrystals (i-phase) obtained by rapid quenching from the melt are metastable and disordered. In contrast, the Ti-Zr-Ni i-phase prepared by low temperature annealing is stable and better ordered. This i-phase is formed by a solid-state transformation from C14 Laves phase and α (Ti/Zr) solid-solution phase. It has not been possible previously to grow this i-phase directly from the liquid. Here, the nucleation and growth of the i-phase from the liquid in as-cast Ti-Zr-Ni alloys is reported. Pentagonal growth ledges in as-cast Ti-Zr-Ni ingots are clearly observed. Transmission electron microscopy and x-ray diffraction studies confirm the phase identity. Differential scanning calorimetry measurements show an endothermic transformation from the i-phase to a phase mixture of the C14 Laves and solid-solution phases, demonstrating that this i-phase is also stable. The short time that the liquid remains in the Laves phase-forming-field and the higher nucleation rate of the i-phase, owing to the presumed similarity between the local atomic structures of the i-phase and liquid, allows the i-phase to nucleate and grow directly from the liquid. Container-less solidification studies using electrostatic levitation (ESL) techniques support this conclusion.

  13. Ultrasonic-assisted synthesis of ZrO2 nanoparticles and their application to improve the chemical stability of Nafion membrane in proton exchange membrane (PEM) fuel cells.

    PubMed

    Taghizadeh, Mohammad Taghi; Vatanparast, Morteza

    2016-12-01

    Zirconium dioxide (ZrO2) nanoparticles were fabricated successfully via ultrasonic-assisted method using ZrO(NO3)2·H2O, ethylenediamine and hydrazine as precursors in aqueous solution. Morphology, structure and composition of the obtained products were characterized by means of X-ray diffraction (XRD), scanning electron microscopy (SEM), energy-dispersive X-ray spectroscopy (EDX), dynamic light scattering (DLS), Fourier transform infrared spectroscopy (FT-IR) and diffuse reflectance spectroscopy (DRS). Then, the synthesized nanoparticles were used to prepare Nafion/ZrO2 nanocomposite membranes. The properties of the membranes were studied by ion exchange capacity (IEC) proton conductivity (σ), thermal stability and water uptake measurements. The ex-situ Fenton's test was used to investigate the chemical stability of the membranes. From our results, compared with Nafion membrane, the nanocomposite membrane exhibited lower fluoride release and weight loss. Therefore, it can concluded that Nafion/ZrO2 nanocomposite exhibit more chemical stability than the pure Nafion membrane. ATR-FTIR spectra and SEM surface images of membranes also confirm these results. Copyright © 2016 Elsevier Inc. All rights reserved.

  14. Surface water geochemical and isotopic variations in an area of accelerating Marcellus Shale gas development.

    PubMed

    Pelak, Adam J; Sharma, Shikha

    2014-12-01

    Water samples were collected from 50 streams in an area of accelerating shale gas development in the eastern U.S.A. The geochemical/isotopic characteristics show no correlation with the five categories of Marcellus Shale production. The sub-watersheds with the greatest density of Marcellus Shale development have also undergone extensive coal mining. Hence, geochemical/isotopic compositions were used to understand sources of salinity and effects of coal mining and shale gas development in the area. The data indicates that while some streams appear to be impacted by mine drainage; none appear to have received sustained contribution from deep brines or produced waters associated with shale gas production. However, it is important to note that our interpretations are based on one time synoptic base flow sampling of a few sampling stations and hence do account potential intermittent changes in chemistry that may result from major/minor spills or specific mine discharges on the surface water chemistry. Copyright © 2014 Elsevier Ltd. All rights reserved.

  15. Dynamic Model Investigation of Water Pressures and Accelerations Encountered During Landings of the Apollo Spacecraft

    NASA Technical Reports Server (NTRS)

    Stubbs, Sandy M.

    1967-01-01

    An experimental investigation was made to determine impact water pressures, accelerations, and landing dynamics of a 1/4-scale dynamic model of the command module of the Apollo spacecraft. A scaled-stiffness aft heat shield was used on the model to simulate the structural deflections of the full-scale heat shield. Tests were made on water to obtain impact pressure data at a simulated parachute letdown (vertical) velocity component of approximately 30 ft/sec (9.1 m/sec) full scale. Additional tests were made on water, sand, and hard clay-gravel landing surfaces at simulated vertical velocity components of 23 ft/sec (7.0 m/sec) full scale. Horizontal velocity components investigated ranged from 0 to 50 ft/sec (15 m/sec) full scale and the pitch attitudes ranged from -40 degrees to 29 degrees. Roll attitudes were O degrees, 90 degrees, and 180 degrees, and the yaw attitude was 0 degrees.

  16. Characterization of ZrO2 and (ZrO2)x(Al2O3)1-X thin films on Si substrates: effect of the Al2O3 component

    NASA Astrophysics Data System (ADS)

    Vitanov, P.; Harizanova, A.; Ivanova, T.

    2014-05-01

    ZrO2 and (ZrO2)x(Al2O3)1-x films were deposited by the sol-gel technique on Si substrates. The effect of the Al2O3 additive on the film surface morphology was studied by atomic force microscopy (AFM). The mixed oxide films showed a smoother morphology and lower values of the root-mean-square (RMS) roughness compared to ZrO2. Further, FTIR spectra indicated that ZrO2 underwent crystallization. The electrical measurements of the MIS structure revealed that the presence of Al2O3 and the amorphization affects its dielectric properties. The MIS structure with (ZrO2)x(Al2O3)1-x showed a lower fixed charge (~ 6×1010 cm-2) and an interface state density in the middle of the band gap of 6×1011 eV-1 cm-2). The dielectric constant measured was 22, with the leakage current density decreasing to 2×10-8 A cm-2 at 1×106 V cm-1.

  17. The Preparation and Microstructure of Nanocrystal 3C-SiC/ZrO2 Bilayer Films

    PubMed Central

    Ye, Chao; Ran, Guang; Zhou, Wei; Qu, Yazhou; Yan, Xin; Cheng, Qijin; Li, Ning

    2017-01-01

    The nanocrystal 3C-SiC/ZrO2 bilayer films that could be used as the protective coatings of zirconium alloy fuel cladding were prepared on a single-crystal Si substrate. The corresponding nanocrystal 3C-SiC film and nanocrystal ZrO2 film were also dividedly synthesized. The microstructure of nanocrystal films was analyzed by grazing incidence X-ray diffraction (GIXRD) and cross-sectional transmission electron microscopy (TEM). The 3C-SiC film with less than 30 nm crystal size was synthesized by Plasma Enhanced Chemical Vapor Deposition (PECVD) and annealing. The corresponding formation mechanism of some impurities in SiC film was analyzed and discussed. An amorphous Zr layer about 600 nm in width was first deposited by magnetron sputtering and then oxidized to form a nanocrystal ZrO2 layer during the annealing process. The interface characteristics of 3C-SiC/ZrO2 bilayer films prepared by two different processes were obviously different. SiZr and SiO2 compounds were formed at the interface of 3C-SiC/ZrO2 bilayer films. A corrosion test of 3C-SiC/ZrO2 bilayer films was conducted to qualitatively analyze the surface corrosion resistance and the binding force of the interface. PMID:29168782

  18. Microstructural characterization and tribological behavior of surface plasma Zr-Er alloying on TC11 alloy

    NASA Astrophysics Data System (ADS)

    Wei, Dongbo; Zhang, Pingze; Liu, Yingchao; Chen, Xiaohu; Ding, Feng; Li, Fengkun

    2018-02-01

    The Zr coating and Zr-Er coating are grown on TC11 substrate by double-glow plasma surface metallurgy technique, followed by the wear tests at ambient temperature and 500 °C. The data of nanohardness and elastic modulus of the samples are collected by the nano-indentation test. The adhesion strength of coatings is investigated by means of the scratch test. The study of wear resistance is performed using a ball-on-disc wear test system by running against the Si3N4 ball and measured by scanning electron microscope (SEM) and X-ray diffraction (XRD). Experimental results indicate that the nanohardness of the Zr coating and Zr-Er coating are 5.94 GPa and 7.98 GPa, respectively, which are 1.79 times and 2.41 times greater than that of TC11 substrate. Zr coating and Zr-Er coating realize the metallurgical bonding with TC11 substrate with continuous and compact structure. Compared with the Zr coating and TC11, the Zr-Er coating presents the lowest specific wear rates, which are 1.689 × 10-6 mm3 Nm-1 and 1.851 × 10-6 mm3 Nm-1 at ambient temperature and 500 °C respectively, indicating the excellent and improved wear resistance of TC11.

  19. Rapid Relaxation and Embrittlement of Zr-based Bulk Metallic Glasses by Electropulsing

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Yiu, P; Chen, Y. C.; Chu, J. P.

    2013-01-01

    Mechanical relaxation and embrittlement of Zr52.5Cu17.9Ni14.6Al10Ti5 bulk metallic glasses were achieved rapidly by the direct current electropulsing treatment. The temperature profile was recorded by an infrared camera and it was found to be non-uniform in the treated specimen. Specifically, temperatures below the glass transition temperature, near and above the crystallization temperature could be ach- ieved, respectively, at different locations in the same treated specimen. Two sets of nanoindentation were conducted. While the first set investigated the mechanical properties of three individually elec- tropulsed specimens with different conditions, the second set indented a single treated specimen along its temperature gradient. Bothmore » sets of indentation revealed that by Joule heating to different tempera- tures, relaxation, embrittlement, and crystallization were significantly accelerated by electrical pulses. Results suggest that electropulsing provides an opportunity to simultaneously achieve plastic forming and mechanical property control of metallic glasses.« less

  20. Metastable phase selection from undercooled Zr 77 Rh 23 liquid alloys

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Johnson, M. L.; Gibbons, P. C.; Vogt, A. J.

    2017-11-01

    From measurements of X-ray and neutron scattering of electrostatically levitated Zr77Rh23 liquids, a variety of metastable crystallization behavior was observed. The metastable phase selection in deeply undercooled liquid droplets is characterized and their crystallization pathways discussed. A metastable phase previously identified as a primary devitrification product from the metallic glass formed when undercooling was maximized to near the hypercooling limit. The direct formation of α–Zr and the equilibrium C16 phase as well as a newly discovered Zr5Rh3 (Mg5Si3-type) phase are also reported.

  1. Miscibility of amorphous ZrO2-Al2O3 binary alloy

    NASA Astrophysics Data System (ADS)

    Zhao, C.; Richard, O.; Bender, H.; Caymax, M.; De Gendt, S.; Heyns, M.; Young, E.; Roebben, G.; Van Der Biest, O.; Haukka, S.

    2002-04-01

    Miscibility is a key factor for maintaining the homogeneity of the amorphous structure in a ZrO2-Al2O3 binary alloy high-k dielectric layer. In the present work, a ZrO2/Al2O3 laminate thin layer has been prepared by atomic layer chemical vapor deposition on a Si (100) wafer. This layer, with artificially induced inhomogeneity (lamination), enables one to study the change in homogeneity of the amorphous phase in the ZrO2/Al2O3 system during annealing. High temperature grazing incidence x-ray diffraction (HT-XRD) was used to investigate the change in intensity of the constructive interference peak of the x-ray beams which are reflected from the interfaces of ZrO2/Al2O3 laminae. The HT-XRD spectra show that the intensity of the peak decreases with an increase in the anneal temperature, and at 800 °C, the peak disappears. The same samples were annealed by a rapid thermal process (RTP) at temperatures between 700 and 1000 °C for 60 s. Room temperature XRD of the RTP annealed samples shows a similar decrease in peak intensity. Transmission electronic microscope images confirm that the laminate structure is destroyed by RTP anneals and, just below the crystallization onset temperature, a homogeneous amorphous ZrAlxOy phase forms. The results demonstrate that the two artificially separated phases, ZrO2 and Al2O3 laminae, tend to mix into a homogeneous amorphous phase before crystallization. This observation indicates that the thermal stability of ZrO2-Al2O3 amorphous phase is suitable for high-k applications.

  2. Stress-induced solid-state amorphization of nanocrystalline Ni and NiZr investigated by atomistic simulations

    NASA Astrophysics Data System (ADS)

    Meraj, Md.; Deng, Chuang; Pal, Snehanshu

    2018-01-01

    In this study, the feasibility of stress induced solid-state amorphization (SSA) of nanocrystalline (NC) Ni and NiZr alloys having ˜10 nm grain size has been investigated under constant tensile load (uniaxial and triaxial) via molecular dynamics simulations. In order to track the structural evaluation in both NC Ni and NiZr alloys during the SSA process, various types of analysis have been used, including simulated X-ray diffraction, centro-symmetry parameter, Voronoi cluster, common neighbor analysis, and radial distribution function. It is found that SSA in both NC Ni and NiZr alloys can only be achieved under triaxial loading conditions, and the hydrostatic tensile stress required for SSA is significantly lower when at. % Zr is increased in the NC NiZr alloy. Specifically, SSA in NC Ni and Ni-5 at. % Zr alloy was observed only when the temperature and hydrostatic tensile stress reached 800 K and 6 GPa, while SSA could occur in NC Ni-10 at. % Zr alloy under just 2 GPa of hydrostatic tensile stress at 300 K.

  3. Phenol-photodegradation on ZrO2. Enhancement by semiconductors.

    PubMed

    Karunakaran, C; Dhanalakshmi, R; Gomathisankar, P

    2012-06-15

    On illumination with light of wavelength 365 nm phenol undergoes degradation on the surface of ZrO(2). The rate of degradation enhances linearly with the concentration of phenol and also the light intensity but decreases with increase of pH. The photonic efficiency of degradation is higher with illumination at 254 nm than with 365 nm. The diffuse reflectance spectral study suggests phenol-sensitized activation of ZrO(2) with 365 nm light. TiO(2), Fe(2)O(3), CuO, ZnO, ZnS, Nb(2)O(5) and CdO particles enhance the photodegradation on ZrO(2), indicating inter-particle charge-transfer. Determination of size of the particles under suspension, by light scattering technique, shows agglomeration of particles supporting the proposition of charge-transfer between particles. Copyright © 2012 Elsevier B.V. All rights reserved.

  4. Microstructure and mechanical behavior of Zr substrates coated with FeCrAl and Mo by cold-spraying

    NASA Astrophysics Data System (ADS)

    Park, Dong Jun; Kim, Hyun Gil; Jung, Yang Il; Park, Jung Hwan; Yang, Jae Ho; Koo, Yang Hyun

    2018-06-01

    FeCrAl and Mo layers were cold-sprayed onto a Zr surface, with the Mo layer introduced between the FeCrAl coating and the Zr matrix preventing high-temperature interdiffusion. Microstructural characterization of the first-deposited Mo layer and the Zr matrix immediately below the Mo/Zr interface was performed using transmission electron microscopy, and near-interface elemental distributions were obtained using energy-dispersive X-ray spectroscopy. The deformation of the coated Mo powder induced the formation of microbands and mechanically interlocked nanoscale structures. The mechanical behavior of Zr with a coating layer was compared with those characteristic of conventional Zr samples. The coated sample showed smaller strength reduction in the test conducted at elevated temperature. The hardness and fracture morphology of the Zr matrix near the interface region were investigated to determine the effect of impacting Mo particles on the matrix microstructure. The enhanced hardness and cleavage fracture morphology of the Zr matrix immediately below the Mo/Zr interface indicated the occurrence of localized deformation owing to Mo particle impact.

  5. Intrinsic defects and spectral characteristics of SrZrO3 perovskite

    NASA Astrophysics Data System (ADS)

    Li, Zhenzhang; Duan, He; Jin, Yahong; Zhang, Shaoan; Lv, Yang; Xu, Qinfang; Hu, Yihua

    2018-04-01

    First-principles calculations and experiment analysis were performed to study the internal relation between seven types of intrinsic defects and the persistent luminescence in SrZrO3 host material. The calculation shows that rich zirconium defects have the low energy cost and thus are easy to form. Zr vacancies are too high energy to play any role in defect which is related luminescence phenomenon of SrZrO3 phosphor. However, oxygen vacancies stand out as a likely candidate, because it can yield two carrier reservoirs: a fully-occupied singlet electron's reservoir which lies above the valence band maximum, and an empty triply degenerate hole's reservoir which is just below the conduction band minimum. Sr vacancies are not directly relevant to the persistent luminescence due to its too shallow electron trap level. The characteristics of these defects are fully explained by the equilibrium properties of SrZrO3. An experimental study of the thermoluminescence glow for these defects is conducted and the calculation is consistent with the experimental results. A mechanism of the persistent luminescence for SrZrO3:Pr3+, Eu3+ is explained according to oxygen vacancies trap center. Findings of this study may serve as theoretical references for controlling intrinsic traps by more refined experiments.

  6. Increased Mechanical Properties Through the Addition of Zr to GRCop-84

    NASA Technical Reports Server (NTRS)

    Ellis, David L.; Lerch, Bradley A.

    2011-01-01

    GRCop-84 (Cu-8 at.% Cr-4 at.% Nb) has shown exceptional mechanical properties above 932 F (773 K). However, its properties below 932 F (773 K) are inferior to precipitation strengthened alloys such as Cu-Cr, Cu-Zr and Cu-Cr-Zr when they are in the fully aged, hard-drawn condition. It has been noted that the addition of small amounts of Zr, typically 0.1 wt.% to 0.5 wt.%, can greatly enhance the mechanical properties of copper-based alloys. Limited testing was conducted upon GRCop-84 with an addition of 0.4 wt.% Zr to determine its tensile, creep and low cycle fatigue (LCF) properties. Very large increases in strength (up to 68%) and ductility (up to 123%) were observed at both room temperature and 932 F (773 K). Creep properties at 932 F (773 K) demonstrated more than an order of magnitude decrease in the creep rate relative to unmodified GRCop-84 with a corresponding order of magnitude increase in creep life. Limited LCF testing showed that the modified alloy had a comparable LCF life at room temperature, but it was capable of sustaining a much higher load. While more testing and composition optimization are required, the addition of Zr to GRCop-84 has shown clear benefits to mechanical properties.

  7. Nanocrystallization of Zr-Cu-Ni-Al-Au glassy alloys during severe plastic deformation

    NASA Astrophysics Data System (ADS)

    Yamada, Masahiro; Kamisato, Ryo; Yamasaki, Tohru; Adachi, Hiroki; Tsuchiya, Koichi; Yokoyama, Yoshihiko

    2014-08-01

    A study has been carried out into the formation of nanocrystalline grains during high-pressure torsion (HPT) deformation of Zr65Cu17Ni5Al10Au3 bulk alloys prepared using tilt casting. As a preliminary to this, X-ray diffraction (XRD) and differential scanning calorimetry (DSC) analyses were carried out on as-cast Zr65+xCu17-xNi5Al10Au3 (x=0~5 at.%) and Zr65Cu20Ni5Al10Au3 alloys, in order to determine the effect on the microstructure of the excess Zr content x and the presence of Au. From the XRD patterns, it was determined that all of the alloys had a metallic glassy nature. For Zr65Cu17Ni5Al10Au3, the DSC results indicated the presence of a wide supercooled liquid region between the glass transition temperature (Tg) of 644 K and the crystallization temperature of 763 K, where the stable body-centered tetragonal Zr2Cu phase was formed. In contrast, for the Zr65+xCu17-xNi5Al10Au3 alloys, precipitation of an icosahedral quasicrystalline phase (I-phase) was observed in the supercooled liquid region at about 715 K. HPT deformation of the Zr65Cu17Ni5Al10Au3 alloys was carried out under a high pressure of 5 GPa. Both as-cast specimens and those annealed at Tg-50 K for 90 min were used. Following a single HPT rotation (N=1), transmission electron microscopy identified the presence of face- centered cubic Zr2Ni precipitates in the as-cast alloy, with a size of about 50 nm. For the annealed alloy, a high density of I-phase precipitates with sizes of less than 10 nm was observed following HPT with N=10, indicating that the combination of severe plastic deformation and annealing is effective at producing extremely small grains.

  8. Accelerated healing of cutaneous leishmaniasis in non-healing BALB/c mice using water soluble amphotericin B-polymethacrylic acid.

    PubMed

    Corware, Karina; Harris, Debra; Teo, Ian; Rogers, Matthew; Naresh, Kikkeri; Müller, Ingrid; Shaunak, Sunil

    2011-11-01

    Cutaneous leishmaniasis (CL) is a neglected tropical disease that causes prominent skin scaring. No water soluble, non-toxic, short course and low cost treatment exists. We developed a new water soluble amphotericin B-polymethacrylic acid (AmB-PMA) using established and scalable chemistries. AmB-PMA was stable for 9 months during storage. In vitro, it was effective against Leishmania spp. promastigotes and amastigote infected macrophages. It was also less toxic and more effective than deoxycholate-AmB, and similar to liposomal AmB. Its in vivo activity was determined in both early and established CL lesion models of Leishmania major infection in genetically susceptible non-healing BALB/c mice. Intradermal AmB-PMA at a total dose of 18 mg of AmB/kg body weight led to rapid parasite killing and lesion healing. No toxicity was seen. No parasite relapse occurred after 80 days follow-up. Histological studies confirmed rapid parasite clearance from macrophages followed by accelerated fibroblast mediated tissue repair, regeneration and cure of the infection. Quantitative mRNA studies of the CL lesions showed that accelerated healing was associated with increased Tumour Necrosis Factor-α and Interferon-γ, and reduced Interleukin-10. These results suggest that a cost-effective AmB-PMA could be used to pharmacologically treat and immuno-therapeutically accelerate the healing of CL lesions. Copyright © 2011 Elsevier Ltd. All rights reserved.

  9. Spin differences in the Zr 90 compound nucleus induced by ( p , p ' ) , ( p , d ) , and ( p , t ) surrogate reactions

    DOE PAGES

    Ota, S.; Burke, J. T.; Casperson, R. J.; ...

    2015-11-04

    Here, the effect of the production mechanism on the decay of a compound nucleus is investigated. The nucleus 90Zr was produced by three different reactions, namely 90Zr (p,p') 90Zr, 91Zr (p,d) 90Zr, and 92Zr (p,t) 90Zr , which served as surrogate reactions for 89Zr (n,γ). The spin-parity (J π) distributions of the states populated by these reactions were studied to investigate the surrogate reaction approach, which aims at indirectly determining cross sections for compound-nuclear reactions involving unstable targets such as 89Zr. Discrete γ rays, associated with transitions in 90Zr and 89Zr, were measured in coincidence with light ions for scatteringmore » angles of 25°–60° and 90Zr excitation energies extending above the neutron separation energy. The measured transition systematics were used to gain insights into the J π distributions of 90Zr. The 90Zr (p,p') reaction was found to produce fewer γ rays associated with transitions involving high spin states (J = 6–8 ℏ) than the other two reactions, suggesting that inelastic scattering preferentially populates states in 90Zr that have lower spins than those populated in the transfer reactions investigated. The γ-ray production was also observed to vary by factors of 2–3 with the angle at which the outgoing particle was detected. These findings are relevant to the application of the surrogate reaction approach.« less

  10. Irradiation experiment on ZrC-coated fuel particles for high-temperature gas-cooled reactors

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Minato, Kazuo; Ogawa, Toru; Sawa, Kazuhiro

    2000-06-01

    The ZrC coating layer is a candidate to replace the SiC coating layer of the Triso-coated fuel particle. To compare the irradiation performance of the ZrC Triso-coated fuel particles with that of the normal Triso-coated fuel particles at high temperatures, a capsule irradiation experiment was performed, where both types of the coated fuel particles were irradiated under identical conditions. The burnup was 4.5% FIMA and the irradiation temperature was 1,400 to 1,650 C. The postirradiation measurement of the through-coating failure fractions of both types of coated fuel particles revealed better irradiation performance of the ZrC Triso-coated fuel particles. The opticalmore » microscopy and electron probe microanalysis on the polished cross section of the ZrC Triso-coated fuel particles revealed no interaction of palladium with the ZrC coating layer nor accumulation of palladium at the inner surface of the ZrC coating layer, whereas severe corrosion of the SiC coating layer was observed in the normal Triso-coated fuel particles. Although no corrosion of the ZrC coating layer was observed, additional evaluations need to be made of this layer's ability to satisfactorily retain the fission product palladium.« less

  11. Study of Adsorption and Desorption Performances of Zr-Based Metal-Organic Frameworks Using Paper Spray Mass Spectrometry.

    PubMed

    Wang, Xiaoting; Chen, Ying; Zheng, Yajun; Zhang, Zhiping

    2017-07-08

    The dynamic pore systems and high surface areas of flexible metal-organic framework materials make them excellent candidates to be used in different kinds of adsorption processes. However, the adsorption and desorption behaviors of therapeutic drugs on metal-organic frameworks in solution are not fully developed. Here, we systematically investigated the adsorption and desorption behaviors of a typical therapeutic drug, verapamil, over several Zr-based metal-organic frameworks [e.g., Zr-FUM, UiO-66(Zr), UiO-66(Zr)-NH₂ and UiO-66(Zr)-2COOH] as well as ZrO₂ in an acetonitrile solution by using paper spray mass spectrometry. In contrast to other materials, UiO-66(Zr)-2COOH demonstrated a superior adsorption performance to verapamil due to their strong acid-base and/or hydrogen-bond interactions, and the adsorption process fitted well with the pseudo-second-order kinetic model. As verapamil-adsorbed materials were used for desorption experiments, ZrO₂ demonstrated the most favorable desorption performance, whereas UiO-66(Zr)-2COOH yielded the poorest desorption capability. These Zr-based materials had also been coated at the surface with filter papers for the analysis of various drugs and proteins in the process of paper spray mass spectrometry. The results demonstrated that among the studied materials, ZrO₂-coated paper gave the most favorable desorption performance as a pure drug solution, whereas the paper from UiO-66(Zr) demonstrated the optimal capability in the analyses of therapeutic drugs in a complex matrix (e.g., blood) and a protein (e.g., myoglobin).

  12. Effects of thermomechanical processing on the microstructure and mechanical properties of Nb-1Zr-C alloys

    NASA Technical Reports Server (NTRS)

    Titran, Robert H.; Uz, Mehmet

    1996-01-01

    A systematic study to evaluate the effects of thermomechanical processing on the microstructure and mechanical properties of Nb-1Zr alloy sheet containing 0.06 and 0.1 wt.%C (PWC-11) was conducted and compared to the results of Nb-1Zr. Coarse orthorhombic Nb2C precipitates were present in all the cast, extruded and cold rolled Nb-Zr samples containing C. After high temperature (greater than 0.5 T(sub m)) exposure (with or without applied stress), the Nb2C transforms to very fine and extremely stable FCC (Zr, Nb)C dispersoid, resulting in a highly creep resistant material. Only ZrO2 precipitates were found in Nb-1Zr. The creep strength of the 0.06C and the 0.1C carbide strengthened alloys were much superior to Nb-1Zr. At 1350 K the strength of the 0.06C alloy was about three times that of Nb-1Zr, while the 0.1C alloy had about five times the creep stress capability of Nb-1Zr. The tensile strength, long term creep strength, and stability of the microstructure of the PWC-11 sheet appear to be independent of the number of 1900 K extrusions performed prior to cold rolling. The microhardness of these single, double and triple extnided PWC-11 sheets also were comparable. The tensile strength of PWC-11 and Nb-1Zr at room temperature and 1350 K were comparable.

  13. Fracture Behavior of Zr-BASED Bulk Metallic Glass Under Impact Loading

    NASA Astrophysics Data System (ADS)

    Shin, Hyung-Seop; Kim, Ki-Hyun; Oh, Sang-Yeob

    The fracture behavior of a Zr-based bulk amorphous metal under impact loading using subsize V-shaped Charpy specimens was investigated. Influences of loading rate on the fracture behavior of amorphous Zr-Al-Ni-Cu alloy were examined. As a result, the maximum load and absorbed fracture energy under impact loading were lower than those under quasi-static loading. A large part of the absorbed fracture energy in the Zr-based BMG was consumed in the process for crack initiation and not for crack propagation. In addition, fractographic characteristics of BMGs, especially the initiation and development of shear bands at the notch tip were investigated. Fractured surfaces under impact loading are smoother than those under quasi-static loading. The absorbed fracture energy appeared differently depending on the appearance of the shear bands developed. It can be found that the fracture energy and fracture toughness of Zr-based BMG are closely related with the extent of shear bands developed during fracture.

  14. Morphology evaluation of ZrO2 dip coating on mild steel and its corrosion performance in NaOH solution

    NASA Astrophysics Data System (ADS)

    Anwar, M. A.; Kurniawan, T.; Asmara, Y. P.; Harun, W. S. W.; Oumar, A. N.; Nandyanto, A. B. D.

    2017-10-01

    In this work, the morphology of ZrO2 thin film from dip coating process on mild steel has been investigated. Mild steel was dip-coated on solution made of zirconium butoxide as a precursor, ethanol as solvent, acetylacetone as chelating agent and water for hydrolysis. Number of dipping was adjusted at 3, 5 and 7 times. The dipped sample then annealed at 350°C for two hours by adjusting the heating rate at 1°C/min respectively. The optical microscope showed that micro-cracks were observed on the surface of the coating with its concentration reduced as dipping sequence increased. The XRD result showed that annealing process can produce polycrystalline tetragonal-ZrO2. Meanwhile, SEM image showed that the thicknesses of the ZrO2 coatings were in between 400-600 nm. The corrosion resistance of uncoated and coated substrates was studied by polarization test through potentio-dynamic polarization curve at 1mV/s immersed in with 3.5% NaCl. The coating efficiency was improved as the number of layer dip coated increased, which showed improvement in corrosion protection.

  15. Photocatalytic activity of nanostructured ZnO-ZrO2 binary oxide using fluorometric method

    NASA Astrophysics Data System (ADS)

    Ibrahim, M. M.

    2015-06-01

    Evaluation of the photocatalytic activity of ZnO-ZrO2 nanomaterials using fluorescence based technique has rarely been reported. In the present work, ZnO-ZrO2 mixed oxides coupled with various ZnO dosages (0, 10, 30, 50, 70 wt%) were prepared by impregnation method. These nanomaterials were characterized by studying their structural, surface and optical properties. The photocatalytic activity in term of quantitative determination of the active oxidative species (radOH) produced on the surface of binary oxide was evaluated using fluorescent probe method. The interaction between ZnO and ZrO2 was affected on the photocatalytic efficiency of mixture. The results show that, the addition of ZnO to ZrO2 decreased the electron-hole recombination and increased the rate of radOH radicals formation. 50 wt% ZnO-ZrO2 photocatalyst exhibited much higher photocatalytic activity. The profound effect of binary oxide catalyst was generally considered due to the high surface area, small particle size, high monoclinic phase of ZrO2 content, low band gap and the presence of surface OH groups.

  16. Interaction of oxygen with ZrC(001) and VC(001): Photoemission and first-principles studies

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Rodriguez, J.A.; Liu, P.; Gomes, J.

    2005-08-15

    High-resolution photoemission and first-principles density-functional calculations were used to study the interaction of oxygen with ZrC(001) and VC(001) surfaces. Atomic oxygen is present on the carbide substrates after small doses of O{sub 2} at room temperature. At 500 K, the oxidation of the surfaces is fast and clear features for ZrO{sub x} or VO{sub x} are seen in the O(1s), Zr(3d), and V(2p{sub 3/2}) core levels spectra, with an increase in the metal/carbon ratio of the samples. A big positive shift (1.3-1.6 eV) was detected for the C 1s core level in O/ZrC(001), indicating the existence of strong O{r_reversible}C ormore » C{r_reversible}C interactions. A phenomenon corroborated by the results of first-principles calculations, which show a CZrZr hollow as the most stable site for the adsorption of O. Furthermore, the calculations also show that a C{r_reversible}O exchange is exothermic on ZrC(001), and the displaced C atoms bond to CZrZr sites. In the O/ZrC(001) interface, the surface C atoms play a major role in determining the behavior of the system. In contrast, the adsorption of oxygen induces very minor changes in the C(1s) spectrum of VC(001). The O{r_reversible}V interactions are stronger than the O{r_reversible}Zr interactions, and O{r_reversible}C interactions do not play a dominant role in the O/VC(001) interface. In this system, C{r_reversible}O exchange is endothermic. VC(001) has a larger density of metal d states near the Fermi level than ZrC(001), but the rate of oxidation of VC(001) is slower. Therefore the O/ZrC(001) and O/VC(001) systems illustrate two different types of pathways for the oxidation of carbide surfaces.« less

  17. B Removal by Zr Addition in Electromagnetic Solidification Refinement of Si with Si-Al Melt

    NASA Astrophysics Data System (ADS)

    Lei, Yun; Ma, Wenhui; Sun, Luen; Dai, Yongnian; Morita, Kazuki

    2016-02-01

    This study investigated a new process of enhancing B removal by adding small amounts of Zr in the electromagnetic solidification refinement of Si with Si-Al melt. B in Si was removed by as much as 97.2 pct by adding less than 1057 ppma Zr, and the added Zr was removed by as much as 99.7 pct. In addition, Zr is more effective in enhancing B removal than Ti in the same electromagnetic solidification refining process.

  18. Efficient UV-emitting X-ray phosphors: octahedral Zr(PO 4) 6 luminescence centers in potassium hafnium-zirconium phosphates K 2Hf 1- xZr x(PO 4) 2 and KHf 2(1- x) Zr 2 x(PO 4) 3

    NASA Astrophysics Data System (ADS)

    Torardi, C. C.; Miao, C. R.; Li, J.

    2003-02-01

    Potassium hafnium-zirconium phosphates, K 2Hf 1- xZr x(PO 4) 2 and KHf 2(1- x) Zr 2 x(PO 4) 3, are broad-band UV-emitting phosphors. At room temperature, they have emission peak maxima at approximately 322 and 305 nm, respectively, under 30 kV peak molybdenum X-ray excitation. Both phosphors demonstrate luminescence efficiencies that make them up to ˜60% as bright as commercially available CaWO 4 Hi-Plus. The solid-state and flux synthesis conditions, and X-ray excited UV luminescence of these two phosphors are discussed. Even though the two compounds have different atomic structures, they contain zirconium in the same active luminescence environment as that found in highly efficient UV-emitting BaHf 1- xZr x(PO 4) 2. All the three materials have hafnium and zirconium in octahedral coordination via oxygen-atom corner sharing with six separate PO 4 tetrahedra. This octahedral Zr(PO 4) 6 moiety appears to be an important structural element for efficient X-ray excited luminescence, as are the edge-sharing octahedral TaO 6 chains for tantalate emission.

  19. Proton NMR studies of the electronic structure of ZrH/sub x/

    NASA Technical Reports Server (NTRS)

    Attalla, A.; Bowman, R. C., Jr.; Craft, B. D.; Venturini, E. L.; Rhim, W. K.

    1982-01-01

    The proton spin lattice relaxation times and Knight shifts were measured in f.c.c. (delta-phase) and f.c.t. (epsilon-phase) ZrH/sub x/ for 1.5 or = to x or = to 2.0. Both parameters indicate that N(E/sub F/) is very dependent upon hydrogen content with a maximum occurring at ZrH1 83. This behavior is ascribed to modifications in N(E/sub F/) through a fcc/fct distortion in ZrH/sub x/ associated with a Jahn-Teller effect.

  20. Initial stages of oxide formation on the Zr surface at low oxygen pressure: An in situ FIM and XPS study

    PubMed Central

    Bespalov, I.; Datler, M.; Buhr, S.; Drachsel, W.; Rupprechter, G.; Suchorski, Y.

    2015-01-01

    An improved methodology of the Zr specimen preparation was developed which allows fabrication of stable Zr nanotips suitable for FIM and AP applications. Initial oxidation of the Zr surface was studied on a Zr nanotip by FIM and on a polycrystalline Zr foil by XPS, both at low oxygen pressure (10−8–10−7 mbar). The XPS data reveal that in a first, fast stage of oxidation, a Zr suboxide interlayer is formed which contains three suboxide components (Zr+1, Zr+2 and Zr+3) and is located between the Zr surface and a stoichiometric ZrO2 overlayer that grows in a second, slow oxidation stage. The sole suboxide layer has been observed for the first time at very early states of the oxidation (oxygen exposure ≤4 L). The Ne+ FIM observations are in accord with a two stage process of Zr oxide formation. PMID:25766998

  1. Water intake accelerates parasympathetic reactivation after high-intensity exercise.

    PubMed

    Peçanha, Tiago; Paula-Ribeiro, Marcelle; Campana-Rezende, Edson; Bartels, Rhenan; Marins, João Carlos; de Lima, Jorge Roberto

    2014-10-01

    It has been shown that water intake (WI) improves postexercise parasympathetic recovery after moderate-intensity exercise session. However, the potential cardiovascular benefit promoted by WI has not been investigated after high-intensity exercise. To assess the effects of WI on post high-intensity parasympathetic recovery. Twelve recreationally active young men participated in the study (22 ± 1.4 years, 24.1 ± 1.6 kg.m(-2)). The experimental protocol consisted of two visits to the laboratory. Each visit consisted in the completion of a 30-min high-intensity [~80% of maximal heart rate (HR)] cycle ergometer aerobic session performing randomly the WI or control (CON, no water consumption) intervention at the end of the exercise. HR and RR intervals (RRi) were continuously recorded by a heart rate monitor before, during and after the exercise. Differences in HR recovery [e.g., absolute heart rate decrement after 1 min of recovery (HRR60s) and time-constant of the first order exponential fitting curve of the HRR (HRRτ)] and in postexercise vagal-related heart rate variability (HRV) indexes (rMSSD30s, rMSSD, pNN50, SD1 and HF) were calculated and compared for WI and CON. A similar HR recovery and an increased postexercise HRV [SD1 = 9.4 ± 5.9 vs. 6.0 ± 3.9 millisecond, HF(ln) = 3.6 ± 1.4 vs. 2.4 ± 1.3 millisecond(2), for WI and CON, respectively; p < .05] was observed in WI compared with CON. The results suggest that WI accelerates the postexercise parasympathetic reactivation after high-intensity exercise. Such outcome reveals an important cardioprotective effect of WI.

  2. Effects of oxygen chemical potential on the anisotropy of the adsorption properties of Zr surfaces.

    PubMed

    Zhang, Hai-Hui; Xie, Yao-Ping; Yao, Mei-Yi; Xu, Jing-Xiang; Zhang, Jin-Long; Hu, Li-Juan

    2018-05-30

    The anisotropy of metal oxidation is a fundamental issue, and the oxidation of Zr surfaces also attracts much attention due to the application of Zr alloys as cladding materials for nuclear fuels in nuclear power plants. In this study, we systematically investigate the diagram of O adsorption on low Miller index Zr surfaces by using first-principles calculations based on density functional theory calculations. We find that O adsorption on the basal surface, Zr(0001), is more favourable than that on the prism surfaces, Zr(112[combining macron]0) and Zr(101[combining macron]0), under strong O-reducing conditions, while O adsorption on the prism surface is more favourable than that of the basal surface under weak O-reducing conditions and the O-rich conditions. Our findings reveal that the anisotropy of adsorption properties of O on the Zr surfaces is dependent on the O chemical potential in the environment. Furthermore, the ability of the prism for O adsorption is stronger than that of the basal surface under the O-rich condition, which is consistent with the experimental observation that the oxidation of the prism Zr surface is easier than that of the basal surface. Systematic surveys show the adsorption ability of the surface under strong O-reducing conditions is determined by the low coordination numbers of surface atoms and surface geometrical structures, while the adsorption ability of the surface under weak O-reducing conditions and O-rich conditions is only determined by the low coordination number of surface atoms. These results can provide an atomic scale understanding of the initial oxidation of Zr surfaces, which inevitably affects the growth of protective passivation layers that play critical roles in the corrosion resistance of Zr cladding materials.

  3. Ceramic Coatings for Clad (The C 3 Project): Advanced Accident-Tolerant Ceramic Coatings for Zr-Alloy Cladding

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Sickafus, Kurt E.; Wirth, Brian; Miller, Larry

    The goal of this NEUP-IRP project is to develop a fuel concept based on an advanced ceramic coating for Zr-alloy cladding. The coated cladding must exhibit demonstrably improved performance compared to conventional Zr-alloy clad in the following respects: During normal service, the ceramic coating should decrease cladding oxidation and hydrogen pickup (the latter leads to hydriding and embrittlement). During a reactor transient (e.g., a loss of coolant accident), the ceramic coating must minimize or at least significantly delay oxidation of the Zr-alloy cladding, thus reducing the amount of hydrogen generated and the oxygen ingress into the cladding. The specific objectivesmore » of this project are as follows: To produce durable ceramic coatings on Zr-alloy clad using two possible routes: (i) MAX phase ceramic coatings or similar nitride or carbide coatings; and (ii) graded interface architecture (multilayer) ceramic coatings, using, for instance, an oxide such as yttria-stabilized zirconia (YSZ) as the outer protective layer. To characterize the structural and physical properties of the coated clad samples produced in 1. above, especially the corrosion properties under simulated normal and transient reactor operating conditions. To perform computational analyses to assess the effects of such coatings on fuel performance and reactor neutronics, and to perform fuel cycle analyses to assess the economic viability of modifying conventional Zr-alloy cladding with ceramic coatings. This project meets a number of the goals outlined in the NEUP-IRP call for proposals, including: Improve the fuel/cladding system through innovative designs (e.g. coatings/liners for zirconium-based cladding) Reduce or eliminate hydrogen generation Increase resistance to bulk steam oxidation Achievement of our goals and objectives, as defined above, will lead to safer light-water reactor (LWR) nuclear fuel assemblies, due to improved cladding properties and built-in accident resistance, as

  4. Study of Adsorption and Desorption Performances of Zr-Based Metal–Organic Frameworks Using Paper Spray Mass Spectrometry

    PubMed Central

    Wang, Xiaoting; Chen, Ying; Zheng, Yajun

    2017-01-01

    The dynamic pore systems and high surface areas of flexible metal–organic framework materials make them excellent candidates to be used in different kinds of adsorption processes. However, the adsorption and desorption behaviors of therapeutic drugs on metal–organic frameworks in solution are not fully developed. Here, we systematically investigated the adsorption and desorption behaviors of a typical therapeutic drug, verapamil, over several Zr-based metal–organic frameworks [e.g., Zr-FUM, UiO-66(Zr), UiO-66(Zr)-NH2 and UiO-66(Zr)-2COOH] as well as ZrO2 in an acetonitrile solution by using paper spray mass spectrometry. In contrast to other materials, UiO-66(Zr)-2COOH demonstrated a superior adsorption performance to verapamil due to their strong acid-base and/or hydrogen-bond interactions, and the adsorption process fitted well with the pseudo-second-order kinetic model. As verapamil-adsorbed materials were used for desorption experiments, ZrO2 demonstrated the most favorable desorption performance, whereas UiO-66(Zr)-2COOH yielded the poorest desorption capability. These Zr-based materials had also been coated at the surface with filter papers for the analysis of various drugs and proteins in the process of paper spray mass spectrometry. The results demonstrated that among the studied materials, ZrO2-coated paper gave the most favorable desorption performance as a pure drug solution, whereas the paper from UiO-66(Zr) demonstrated the optimal capability in the analyses of therapeutic drugs in a complex matrix (e.g., blood) and a protein (e.g., myoglobin). PMID:28773131

  5. Ecological site-based assessments of wind and water erosion: informing accelerated soil erosion management in rangelands

    USGS Publications Warehouse

    Webb, Nicholas P.; Herrick, Jeffrey E.; Duniway, Michael C.

    2014-01-01

    Accelerated soil erosion occurs when anthropogenic processes modify soil, vegetation or climatic conditions causing erosion rates at a location to exceed their natural variability. Identifying where and when accelerated erosion occurs is a critical first step toward its effective management. Here we explore how erosion assessments structured in the context of ecological sites (a land classification based on soils, landscape setting and ecological potential) and their vegetation states (plant assemblages that may change due to management) can inform systems for reducing accelerated soil erosion in rangelands. We evaluated aeolian horizontal sediment flux and fluvial sediment erosion rates for five ecological sites in southern New Mexico, USA, using monitoring data and rangeland-specific wind and water erosion models. Across the ecological sites, plots in shrub-encroached and shrub-dominated vegetation states were consistently susceptible to aeolian sediment flux and fluvial sediment erosion. Both processes were found to be highly variable for grassland and grass-succulent states across the ecological sites at the plot scale (0.25 Ha). We identify vegetation thresholds that define cover levels below which rapid (exponential) increases in aeolian sediment flux and fluvial sediment erosion occur across the ecological sites and vegetation states. Aeolian sediment flux and fluvial erosion in the study area can be effectively controlled when bare ground cover is 100 cm in length is less than ~35%. Land use and management activities that alter cover levels such that they cross thresholds, and/or drive vegetation state changes, may increase the susceptibility of areas to erosion. Land use impacts that are constrained within the range of natural variability should not result in accelerated soil erosion. Evaluating land condition against the erosion thresholds identified here will enable identification of areas susceptible to accelerated soil erosion and the development of

  6. Characteristics of ZrC/Ni-UDD coatings for a tungsten carbide cutting tool

    NASA Astrophysics Data System (ADS)

    Chayeuski, V. V.; Zhylinski, V. V.; Rudak, P. V.; Rusalsky, D. P.; Višniakov, N.; Černašėjus, O.

    2018-07-01

    This work deals with the features of the structure of combined ZrC/Ni-ultradisperse diamonds (UDD) coating synthesized by electroplating and cathode arc evaporation physical vapor deposition (CAE-PVD) techniques on the tungsten carbide WC - 2 wt% Co on cutting inserts to improve tool life. The microstructure, phase composition, and micro-scratch test analysis of the ZrC/Ni-UDD coating were studied. The ZrC/Ni-UDD coating consists of separate phases of zirconium carbide ZrC, α-Ni, and Ni-UDD phase. The surface morphology of the coating shows a pattern with pits, pores, and particles. Separated nanodiamond particles are present in the pores of the combined coating. Therefore, the structure of the bottom layer of Ni-UDD affects the morphology of the surface of the ZrC/Ni-UDD coating. The obtained value of the critical loads on the scratch track of the coating in 26 N proves a sufficiently high value of the adhesion strength of the intermediate Ni-UDD-layer with hard alloy of WC-Co substrate. Due to their unique structure ZrC/Ni-UDD-coatings can be used to increase the durability period of a wood-cutting milling tool for cutting chipboard by CNC machines.

  7. Density functional calculations of carbon substituting for Zr in barium zirconate

    NASA Astrophysics Data System (ADS)

    Al-Hadidi, Meaad; Goss, J. P.; Al-Ani, Oras A.; Briddon, P. R.; Rayson, M. J.

    2017-06-01

    Oxide perovskites such as BaZrO3 possess many significant properties which render them useful in many technological and scientific applications such as sensors, optoelectronics, laser frequency doubling and high capacity memory cells. Several methods are used to grow BaZrO3 crystal, and organic species that may be present during growth lead to carbon contamination. We have investigated, using density-functional theory, the role of carbon impurities on the structural, electrical and electronic properties of carbon substituting of Zr in cubic barium zirconate. The local vibrational modes of the defect centre has been calculated and we suggest it is a feasible route to experimental identification

  8. Intense visible light emission from stress-activated ZrO2:Ti

    NASA Astrophysics Data System (ADS)

    Akiyama, Morito; Xu, Chao-Nan; Nonaka, Kazuhiro

    2002-07-01

    We have investigated the luminescence phenomena from stress-activated ZrO2:Ti. The luminescence is clearly visible to the naked eye in the atmosphere. The luminescence center has been identified as the Ti4+ ion from spectra of the mechanoluminescence and also from photoluminescence studies of ZrO2:Ti. The mechanoluminescence intensity decreases on repetitive application of stress but recovers completely on irradiation with ultraviolet light. ZrO2 is an n-type semiconductor and has electron traps. It is suggested that the mechanoluminescence mechanism arises from the movement of dislocations and recombination between electrons and holes released from these traps which are associated with the Ti4+ centers.

  9. Room temperature ferromagnetism in Fe-doped semiconductor ZrS2 single crystals

    NASA Astrophysics Data System (ADS)

    Muhammad, Zahir; Lv, Haifeng; Wu, Chuanqiang; Habib, Muhammad; Rehman, Zia ur; Khan, Rashid; Chen, Shuangming; Wu, Xiaojun; Song, Li

    2018-04-01

    Two dimensional (2D) layered magnetic materials have obtained much attention due to their intriguing properties with a potential application in the field of spintronics. Herein, room-temperature ferromagnetism with 0.2 emu g‑1 magnetic moment is realized in Fe-doped ZrS2 single crystals of millimeter size, in comparison with diamagnetic behaviour in ZrS2. The electron paramagnetic resonance spectroscopy reveals that 5.2wt% Fe-doping ZrS2 crystal exhibit high spin value of g-factor about 3.57 at room temperature also confirmed this evidence, due to the unpaired electrons created by doped Fe atoms. First principle static electronic and magnetic calculations further confirm the increased stability of long range ferromagnetic ordering and enhanced magnetic moment in Fe-doped ZrS2, originating from the Fe spin polarized electron near the Fermi level.

  10. Synthesis of monodisperse spherical nanometer ZrO{sub 2} (Y{sub 2}O{sub 3}) powders via the coupling route of w/o emulsion with urea homogenous precipitation

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Chang, Ying; Dong, Shijie, E-mail: dongsjsj@163.com; Wang, Huihu

    2012-03-15

    Graphical abstract: In this paper, the weight loss and reaction evolution of ZrO{sub 2} precursor powders are determined by TG-DTA, and 600 Degree-Sign C is the most reasonable calcination temperature of precursor according to the TG-DTA. At the same time, we study the effect of reaction conditions upon the particle sizes, such as concentration of zirconium nitrate solution, reaction temperature and urea content. TEM micrographs of zirconia powders indicated that ZrO{sub 2} nano-powders prepared via the coupling route of w/o emulsion with homogenous precipitation possess spherical shape and excellent dispersing. Highlights: Black-Right-Pointing-Pointer The monodisperse spherical nanometer ZrO{sub 2} (Y{sub 2}O{submore » 3}) powders have been prepared via the coupling route of w/o emulsion with urea homogenous precipitation. Black-Right-Pointing-Pointer The principle of the coupling route of emulsion with homogenous precipitation has been studied. Black-Right-Pointing-Pointer The concentration of zirconium nitrate, reaction temperature of water bath and the quantity of urea effect regularly on the average particle size of products. -- Abstract: Using xylol as the oil phase, span-80 as the surfactant, and an aqueous solution containing zirconium (3 mol% Y{sub 2}O{sub 3}) and urea as the water phase, tetragonal phase ZrO{sub 2} nano-powders have been prepared via the coupling route of w/o emulsion with urea homogenous precipitation. The effects of the zirconium concentration, the reaction temperature and the urea content on the average size of the products have been examined. The as-prepared ZrO{sub 2} powders and the precursor powders were characterized by TGA-DTA, XRD, TEM and BET. Experimental results indicate that ZrO{sub 2} powders prepared via the coupling route of w/o emulsion with urea homogenous precipitation possess some excellent characteristics, such as well-rounded spherical shape and excellent dispersing.« less

  11. The Composition of Intermediate Products of the Thermal Decomposition of (NH4)2ZrF6 to ZrO2 from Vibrational-Spectroscopy Data

    NASA Astrophysics Data System (ADS)

    Voit, E. I.; Didenko, N. A.; Gaivoronskaya, K. A.

    2018-03-01

    Thermal decomposition of (NH4)2ZrF6 resulting in ZrO2 formation within the temperature range of 20°-750°C has been investigated by means of thermal and X-ray diffraction analysis and IR and Raman spectroscopy. It has been established that thermolysis proceeds in six stages. The vibrational-spectroscopy data for the intermediate products of thermal decomposition have been obtained, systematized, and summarized.

  12. Grain Refinement and Mechanical Properties of Cu–Cr–Zr Alloys with Different Nano-Sized TiCp Addition

    PubMed Central

    Zhang, Dongdong; Bai, Fang; Wang, Yong; Wang, Jinguo; Wang, Wenquan

    2017-01-01

    The TiCp/Cu master alloy was prepared via thermal explosion reaction. Afterwards, the nano-sized TiCp/Cu master alloy was dispersed by electromagnetic stirring casting into the melting Cu–Cr–Zr alloys to fabricate the nano-sized TiCp-reinforced Cu–Cr–Zr composites. Results show that nano-sized TiCp can effectively refine the grain size of Cu–Cr–Zr alloys. The morphologies of grain in Cu–Cr–Zr composites changed from dendritic grain to equiaxed crystal because of the addition and dispersion of nano-sized TiCp. The grain size decreased from 82 to 28 μm with the nano-sized TiCp content. Compared with Cu–Cr–Zr alloys, the ultimate compressive strength (σUCS) and yield strength (σ0.2) of 4 wt% TiCp-reinforced Cu–Cr–Zr composites increased by 6.7% and 9.4%, respectively. The wear resistance of the nano-sized TiCp-reinforced Cu–Cr–Zr composites increased with the increasing nano-sized TiCp content. The wear loss of the nano-sized TiCp-reinforced Cu–Cr–Zr composites decreased with the increasing TiCp content under abrasive particles. The eletrical conductivity of Cu–Cr–Zr alloys, 2% and 4% nano-sized TiCp-reinforced Cu–Cr–Zr composites are 64.71% IACS, 56.77% IACS and 52.93% IACS, respectively. PMID:28786937

  13. Bulk Al-Al3Zr composite prepared by mechanical alloying and hot extrusion for high-temperature applications

    NASA Astrophysics Data System (ADS)

    Pourkhorshid, E.; Enayati, M. H.; Sabooni, S.; Karimzadeh, F.; Paydar, M. H.

    2017-08-01

    Bulk Al/Al3Zr composite was prepared by a combination of mechanical alloying (MA) and hot extrusion processes. Elemental Al and Zr powders were milled for up to 10 h and heat treated at 600°C for 1 h to form stable Al3Zr. The prepared Al3Zr powder was then mixed with the pure Al powder to produce an Al-Al3Zr composite. The composite powder was finally consolidated by hot extrusion at 550°C. The mechanical properties of consolidated samples were evaluated by hardness and tension tests at room and elevated temperatures. The results show that annealing of the 10-h-milled powder at 600°C for 1 h led to the formation of a stable Al3Zr phase. Differential scanning calorimetry (DSC) results confirmed that the formation of Al3Zr began with the nucleation of a metastable phase, which subsequently transformed to the stable tetragonal Al3Zr structure. The tension yield strength of the Al-10wt%Al3Zr composite was determined to be 103 MPa, which is approximately twice that for pure Al (53 MPa). The yield stress of the Al/Al3Zr composite at 300°C is just 10% lower than that at room temperature, which demonstrates the strong potential for the prepared composite to be used in high-temperature structural applications.

  14. Fully Depleted Ti-Nb-Ta-Zr-O Nanotubes: Interfacial Charge Dynamics and Solar Hydrogen Production.

    PubMed

    Chiu, Yi-Hsuan; Lai, Ting-Hsuan; Chen, Chun-Yi; Hsieh, Ping-Yen; Ozasa, Kazunari; Niinomi, Mitsuo; Okada, Kiyoshi; Chang, Tso-Fu Mark; Matsushita, Nobuhiro; Sone, Masato; Hsu, Yung-Jung

    2018-05-01

    Poor kinetics of hole transportation at the electrode/electrolyte interface is regarded as a primary cause for the mediocre performance of n-type TiO 2 photoelectrodes. By adopting nanotubes as the electrode backbone, light absorption and carrier collection can be spatially decoupled, allowing n-type TiO 2 , with its short hole diffusion length, to maximize the use of the available photoexcited charge carriers during operation in photoelectrochemical (PEC) water splitting. Here, we presented a delicate electrochemical anodization process for the preparation of quaternary Ti-Nb-Ta-Zr-O mixed-oxide (denoted as TNTZO) nanotube arrays and demonstrated their utility in PEC water splitting. The charge-transfer dynamics for the electrodes was investigated using time-resolved photoluminescence, electrochemical impedance spectroscopy, and the decay of open-circuit voltage analysis. Data reveal that the superior photoactivity of TNTZO over pristine TiO 2 originated from the introduction of Nd, Ta, and Zr elements, which enhanced the amount of accessible charge carriers, modified the electronic structure, and improved the hole injection kinetics for expediting water splitting. By modulating the water content of the electrolyte employed in the anodization process, the wall thickness of the grown TNTZO nanotubes can be reduced to a size smaller than that of the depletion layer thickness, realizing a fully depleted state for charge carriers to further advance the PEC performance. Hydrogen evolution tests demonstrate the practical efficacy of TNTZO for realizing solar hydrogen production. Furthermore, with the composition complexity and fully depleted band structure, the present TNTZO nanotube arrays may offer a feasible and universal platform for the loading of other semiconductors to construct a sophisticated heterostructure photoelectrode paradigm, in which the photoexcited charge carriers can be entirely utilized for efficient solar-to-fuel conversion.

  15. Hot corrosion behavior of YSZ, Gd2Zr2O7 and YSZ/Gd2Zr2O7 thermal barrier coatings exposed to molten sulfate and vanadate salt

    NASA Astrophysics Data System (ADS)

    Ozgurluk, Yasin; Doleker, Kadir Mert; Karaoglanli, Abdullah Cahit

    2018-04-01

    Thermal barrier coatings (TBCs) are mostly used in critical components of aircraft gas turbine engines. Hot corrosion is among the main deteriorating factors in TBCs which results from the effect of molten salt on the coating-gas interface. This type of corrosion is observed as a result of contamination accumulated during combustion processes. Fuels used in aviation industry generally contain impurities such as vanadium oxide (V2O5) and sodium sulfate (Na2SO4). These impurities damage turbines' inlet at elevated temperatures because of chemical reaction. Yttria stabilized zirconia (YSZ) is a conventional top coating material for TBCs while Gd2Zr2O7 is a new promising top coating material for TBCs. In this study, CoNiCrAlY metallic bond coat was deposited on Inconel 718 nickel based superalloy substrate material with a thickness about 100 μm using cold gas dynamic spray (CGDS) method. Production of TBCs were done with deposition of YSZ, Gd2Zr2O7, YSZ/Gd2Zr2O7 ceramic top coating materials using EB-PVD method, having a total thickness of 300 μm. Hot corrosion behavior of YSZ, Gd2Zr2O7, YSZ/Gd2Zr2O7 TBC systems were exposed to 45 wt.% Na2SO4 and 55 wt.% V2O5 molten salt mixtures at 1000 °C temperature. TBC samples were investigated and compared using scanning electron microscope (SEM), energy dispersive spectroscopy (EDS) analysis and X-ray diffractometer (XRD). The hot corrosion failure mechanisms of YSZ, Gd2Zr2O7 and YSZ/Gd2Zr2O7 TBCs in the molten salts were evaluated.

  16. Local epitaxial growth of ZrO2 on Ge (100) substrates by atomic layer epitaxy

    NASA Astrophysics Data System (ADS)

    Kim, Hyoungsub; Chui, Chi On; Saraswat, Krishna C.; McIntyre, Paul C.

    2003-09-01

    High-k dielectric deposition processes for gate dielectric preparation on Si surfaces usually result in the unavoidable and uncontrolled formation of a thin interfacial oxide layer. Atomic layer deposition of ˜55-Å ZrO2 film on a Ge (100) substrate using ZrCl4 and H2O at 300 °C was found to produce local epitaxial growth [(001) Ge//(001) ZrO2 and [100] Ge//[100] ZrO2] without a distinct interfacial layer, unlike the situation observed when ZrO2 is deposited using the same method on Si. Relatively large lattice mismatch (˜10%) between ZrO2 and Ge produced a high areal density of interfacial misfit dislocations. Large hysteresis (>200 mV) and high frequency dispersion were observed in capacitance-voltage measurements due to the high density of interface states. However, a low leakage current density, comparable to values obtained on Si substrates, was observed with the same capacitance density regardless of the high defect density.

  17. A new approach to preparing Bi2Zr2O7 photocatalysts for dye degradation

    NASA Astrophysics Data System (ADS)

    Luo, Yijia; Cao, Liyun; Huang, Jianfeng; Feng, Liangliang; Yao, Chunyan

    2018-01-01

    A new synthetic route is presented to prepared pure Bi2Zr2O7 material, in which a NaNO3/KNO3 molten salt is used to obtain the resulting Bi2Zr2O7 at a relatively low temperature of 400 °C under atmospheric pressure. Powder x-ray diffraction confirmed the structure type and purity of the as-prepared sample, and further revealed that a single-source Bi(OH)3 · Zr(OH)4 · nH2O complex precursor plays a crucial role to synthesize Bi2Zr2O7 nanocrystals. Scanning electron microscope and transmission electron microscope show the morphologies and sizes of Bi2Zr2O7 crystal in detail, and UV-vis diffuse reflectance measurements evidenced the wide light absorption range. Furthermore, the as-synthesized Bi2Zr2O7 with smaller particle size and larger specific surface area exhibit superior photocatalytic activities compared with the sample obtained without adding molten salts.

  18. Correlative characterization of primary Al{sub 3}(Sc,Zr) phase in an Al–Zn–Mg based alloy

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Li, J.H., E-mail: jie-hua.li@hotmail.com; Wiessner, M.; Albu, M.

    2015-04-15

    Three-dimensional electron backscatter diffraction, focused ion beam, transmission electron microscopy and energy filtered transmission electron microscopy were employed to investigate the structural information of primary Al{sub 3}(Sc,Zr) phase, i.e. size, shape, element distribution and orientation relationship with the α-Al matrix. It was found that (i) most primary Al{sub 3}(Sc,Zr) phases have a cubic three-dimensional morphology, with a size of about 6–10 μm, (ii) most primary Al{sub 3}(Sc,Zr) phases are located within the α-Al matrix, and exhibit a cube to cube orientation relationship with the α-Al matrix, and (iii) a layer by layer growth was observed within primary Al{sub 3}(Sc,Zr) phases.more » Al, Cu, Si and Fe are enriched in the α-Al matrix between the layers of cellular eutectic Al{sub 3}(Sc,Zr) phase, while Sc, Ti and Zr are enriched in small Al{sub 3}(Sc,Zr) phases. A peritectic reaction and subsequent eutectic reaction between Al{sub 3}Sc and Al was proposed to interpret the observed layer by layer growth. This paper demonstrates that the presence of impurities (Fe, Si, Cu, Ti) in the diffusion field surrounding the growing Al{sub 3}(Sc,Zr) particle enhances the heterogeneous nucleation of Al{sub 3}(Sc,Zr) phases. - Highlights: • Most fine cubic primary Al{sub 3}(Sc,Zr) phases were observed within the α-Al matrix. • A layer by layer growth within primary Al{sub 3}(Sc,Zr) phase was observed. • A peritectic and subsequent eutectic reaction between Al{sub 3}Sc and Al was proposed. • Impurities in diffusion fields enhance heterogeneous nucleation of Al{sub 3}(Sc,Zr)« less

  19. Learning a force field for the martensitic phase transformation in Zr

    NASA Astrophysics Data System (ADS)

    Zong, Hongxiang; Pilania, Ghanshyam; Ramprasad, Rampi; Lookman, Turab

    Atomic simulations provide an effective means to understand the underlying physics of martensitic transformations under extreme conditions. However, this is still a challenge for certain phase transforming metals due to the lack of an accurate classical force field. Quantum molecular dynamics (QMD) simulations are accurate but expensive. During the course of QMD simulations, similar configurations are constantly visited and revisited. Machine Learning can effectively learn from past visits and, therefore, eliminate such redundancies. In this talk, we will discuss the development of a hybrid ML-QMD method in which on-demand, on-the-fly quantum mechanical (QM) calculations are performed to accelerate calculations of interatomic forces at much lower computational costs. Using Zirconium as a model system for which accurate atomisctic potentials are currently unvailable we will demonstrate the feasibility and effectiveness of our approach. Specifically, the computed structural phase transformation behavior within the ML-QMD approach will be compared with available experimental results. Furthermore, results on phonons, stacking fault energies, and activation barriers for the homogeneous martensitic transformation in Zr will be presented.

  20. Effects of ammonium hydroxide on the structure and gas adsorption of nanosized Zr-MOFs (UiO-66).

    PubMed

    Abid, Hussein Rasool; Ang, Ha Ming; Wang, Shaobin

    2012-05-21

    Several zirconium-based metal-organic frameworks (Zr-MOFs) have been synthesized using ammonium hydroxide as an additive in the synthesis process. Their physicochemical properties have been characterized by N(2) adsorption/desorption, XRD, SEM, FTIR, and TGA, and their application in CO(2) adsorption was evaluated. It was found that addition of ammonium hydroxide produced some effects on the structure and adsorption behavior of Zr-MOFs. The pore size and pore volume of Zr-MOFs were enhanced with the additive, however, specific surface area of Zr-MOFs was reduced. Using an ammonium hydroxide additive, the crystal size of Zr-MOF was reduced with increasing amount of the additive. All the samples presented strong thermal stability. Adsorption tests showed that capacity of CO(2) adsorption on the Zr-MOFs under standard conditions was reduced due to decreased micropore fractions. However, modified Zr-MOFs had significantly lower adsorption heat. The adsorption capacity of carbon dioxide was increased at high pressure, reaching 8.63 mmol g(-1) at 987 kPa for Zr-MOF-NH(4)-2.

  1. Experimental study of the Er-Zr-O ternary system at 800 °C and 1100 °C

    NASA Astrophysics Data System (ADS)

    Mascaro, A.; Jourdan, J.; Toffolon-Masclet, C.; Joubert, J.-M.

    2012-08-01

    The Er-O-Zr ternary system has been investigated experimentally along two isothermal sections at 800 °C and 1100 °C. In order to obtain pure and homogeneous samples, powder metallurgy has been used. The samples have been synthesized using pure Er and Zr powder obtained by the hydride route. The study has been focused on the Zr rich corner and the results allow defining the co-solubility domains at both temperatures and the nature of the phases in equilibrium with αZr and βZr.

  2. Quantum mechanical/molecular mechanical modeling finds Diels-Alder reactions are accelerated less on the surface of water than in water.

    PubMed

    Thomas, Laura L; Tirado-Rives, Julian; Jorgensen, William L

    2010-03-10

    Quantum and molecular mechanics calculations for the Diels-Alder reactions of cyclopentadiene with 1,4-naphthoquinone, methyl vinyl ketone, and acrylonitrile have been carried out at the vacuum-water interface and in the gas phase. In conjunction with previous studies of these cycloadditions in dilute solution, a more complete picture of aqueous environmental effects emerges with implications for the origin of observed rate accelerations using heterogeneous aqueous suspensions, "on water" conditions. The pure TIP4P water slab maintains the bulk density and hydrogen-bonding properties in central water layers. The bulk region merges to vacuum over a ca. 5 A band with progressive diminution of the density and hydrogen bonding. The relative free energies of activation and transition structures for the reactions at the interface are found to be intermediate between those calculated in the gas phase and in bulk water; i.e., for the reaction with 1,4-naphthoquinone, the DeltaDeltaG(++) values relative to the gas phase are -3.6 and -7.3 kcal/mol at the interface and in bulk water, respectively. Thus, the results do not support the notion that a water surface is more effective than bulk water for catalysis of such pericyclic reactions. The trend is in qualitative agreement with expectations based on density considerations and estimates of experimental rate constants for the gas phase, a heterogeneous aqueous suspension, and a dilute aqueous solution for the reaction of cyclopentadiene with methyl vinyl ketone. Computed energy pair distributions reveal a uniform loss of 0.5-1.0 hydrogen bond for the reactants and transition states in progressing from bulk water to the vacuum-water interface. Orientational effects are apparent at the surface; e.g., the carbonyl group in the methyl vinyl ketone transition structure is preferentially oriented into the surface. Also, the transition structure for the 1,4-naphthoquinone case is buried more in the surface, and the free energy of

  3. Effect of the SiO 2 support on the catalytic performance of Ag/ZrO 2/SiO 2 catalysts for the single-bed production of butadiene from ethanol

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Dagle, Vanessa Lebarbier; Flake, Matthew D.; Lemmon, Teresa L.

    A ternary Ag/ZrO 2/SiO 2 catalyst system was studied for single-step conversion of ethanol to butadiene by varying the catalyst composition (Ag, Ir, or Pt metal component, Ag/ZrO 2 loading, and choice of SiO 2 support) and operating conditions (space velocity and feed gas composition). Exceptional catalytic performance was achieved over a 1%Ag/4%ZrO 2/SiO 2-SBA-16 catalyst leading to 99% conversion and 71% butadiene selectivity while operating under mild conditions (325°C, 1 atm, and 0.23 h –1). Several classes of silica—silica gels, fumed silicas, mesoporous silicas)—were evaluated as catalyst supports, and SBA-16 was found to be the most promising choice. Themore » SiO 2 support was found to significantly influence both conversion and selectivity. A higher SiO 2 catalyst surface area facilitates increased Ag dispersion which leads to greater conversion due to the accelerated initial ethanol dehydrogenation reaction step. By independently varying Ag and ZrO 2 loading, Ag was found to be the main component that affects ethanol conversion. ZrO 2 loading and thus Lewis acid sites concentration was found to have little impact on the ethanol conversion. Butadiene selectivity depends on the concentration of Lewis acid site, which in turn differs depending on the choice of SiO 2 support material. We observed a direct relationship between butadiene selectivity and concentration of Lewis acid sites. Butadiene selectivity decreases as the concentration of Lewis acid sites increases, which corresponds to an increase in ethanol dehydration to ethylene and diethyl ether. Additionally, adding H 2 to the feed had little effect on conversion while improving catalytic stability; however, selectivity to butadiene decreased. Lastly, catalyst regenerability was successfully demonstrated for several cycles.« less

  4. Effect of the SiO 2 support on the catalytic performance of Ag/ZrO 2/SiO 2 catalysts for the single-bed production of butadiene from ethanol

    DOE PAGES

    Dagle, Vanessa Lebarbier; Flake, Matthew D.; Lemmon, Teresa L.; ...

    2018-05-19

    A ternary Ag/ZrO 2/SiO 2 catalyst system was studied for single-step conversion of ethanol to butadiene by varying the catalyst composition (Ag, Ir, or Pt metal component, Ag/ZrO 2 loading, and choice of SiO 2 support) and operating conditions (space velocity and feed gas composition). Exceptional catalytic performance was achieved over a 1%Ag/4%ZrO 2/SiO 2-SBA-16 catalyst leading to 99% conversion and 71% butadiene selectivity while operating under mild conditions (325°C, 1 atm, and 0.23 h –1). Several classes of silica—silica gels, fumed silicas, mesoporous silicas)—were evaluated as catalyst supports, and SBA-16 was found to be the most promising choice. Themore » SiO 2 support was found to significantly influence both conversion and selectivity. A higher SiO 2 catalyst surface area facilitates increased Ag dispersion which leads to greater conversion due to the accelerated initial ethanol dehydrogenation reaction step. By independently varying Ag and ZrO 2 loading, Ag was found to be the main component that affects ethanol conversion. ZrO 2 loading and thus Lewis acid sites concentration was found to have little impact on the ethanol conversion. Butadiene selectivity depends on the concentration of Lewis acid site, which in turn differs depending on the choice of SiO 2 support material. We observed a direct relationship between butadiene selectivity and concentration of Lewis acid sites. Butadiene selectivity decreases as the concentration of Lewis acid sites increases, which corresponds to an increase in ethanol dehydration to ethylene and diethyl ether. Additionally, adding H 2 to the feed had little effect on conversion while improving catalytic stability; however, selectivity to butadiene decreased. Lastly, catalyst regenerability was successfully demonstrated for several cycles.« less

  5. Investigation of vacuum properties of CuCrZr alloy for high-heat-load absorber

    NASA Astrophysics Data System (ADS)

    Shueh, C.; Chan, C. K.; Chang, C. C.; Sheng, I. C.

    2017-01-01

    The Taiwan Photon Source (TPS) uses high-heat-load (HHL) absorbers to protect downstream ultrahigh-vacuum chambers from overheating. In this work, we propose to use the CuCrZr alloy (ASTM C18150) for the HHL absorber body and the ConFlat® flanges. We use the throughput method to measure the thermal outgassing rate and a helium leak detector to verify the vacuum seal between the CuCrZr alloy and stainless-steel flanges. The measured outgassing rate of the CuCrZr alloy was 5.8×10-10 Pa m/s after 72 h of pumping and decreased to 2.0 × 10-10 Pa m/s after 100 h of pumping. The leak rate through the vacuum seal between a CuCrZr flange and a stainless-steel flange was less than 1 × 10-10 Pa m3/s even after mounting and unmounting the flanges ten times and baking them at 250 °C. These results indicate that CuCrZr alloy is suitable for integrating HHL components with ConFlat® CuCrZr flanges for the absorption of the synchrotron radiation generated by the TPS.

  6. Surface Modification of Solution-Processed ZrO2 Films through Double Coating for Pentacene Thin-Film Transistors

    NASA Astrophysics Data System (ADS)

    Kwon, Jin-Hyuk; Bae, Jin-Hyuk; Lee, Hyeonju; Park, Jaehoon

    2018-03-01

    We report the modification of surface properties of solution-processed zirconium oxide (ZrO2) dielectric films achieved by using double-coating process. It is proven that the surface properties of the ZrO2 film are modified through the double-coating process; the surface roughness decreases and the surface energy increases. The present surface modification of the ZrO2 film contributes to an increase in grain size of the pentacene film, thereby increasing the field-effect mobility and decreasing the threshold voltage of the pentacene thin-film transistors (TFTs) having the ZrO2 gate dielectric. Herein, the molecular orientation of pentacene film is also studied based on the results of contact angle and X-ray diffraction measurements. Pentacene molecules on the double-coated ZrO2 film are found to be more tilted than those on the single-coated ZrO2 film, which is attributed to the surface modification of the ZrO2 film. However, no significant differences are observed in insulating properties between the single-and the double-coated ZrO2 dielectric films. Consequently, the characteristic improvements of the pentacene TFTs with the double-coated ZrO2 gate dielectric film can be understood through the increase in pentacene grain size and the reduction in grain boundary density.

  7. Modeling of Zircon (ZrSiO{sub 4}) and Zirconia (ZrO{sub 2}) using ADF-GUI Software

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Lwin, Maung Tin Moe; Amin, Yusoff Mohd; Kassim, Hasan Abu

    2010-07-07

    Natural zircon (ZrSiO{sub 4}) has very high concentration of Uranium and Thorium of up to 5000 ppm. Radioactive decay process of alpha particles from these impurities affects some changes like several atomic displacements in the crystalline structure of zircon. The amount of track density caused by alpha particles decay process of these radioactive materials in zircon can be decreased with annealing temperatures from 700 deg. C to 980 deg. C. Recently it has been extensively studied as the possible candidate material for immobilization of fission products and actinides. Besides, zirconia (ZrO{sub 2}), product from natural zircon, is widely used inmore » industrial field because it has excellent chemical and mechanical properties at high temperature. Dielectric constant of monoclinic, cubic and tetragonal ZrO{sub 2} can be found in the range of 22, 35 and 50 by computer simulation works. In recent years, atomistic simulations and modeling have been studied, because a lot of computational techniques can offer atomic-level approaching with minimum errors in estimations. One favorite methods is Density Functional Theory (DFT). In this study, ADF-GUI software from DFT will be used to calculate the frequency and absorption Intensity of zircon and zirconia molecules. The data from calculations will be verified with experimental works such as Raman Spectroscopy, AFM and XRD.« less

  8. Synthesizing (ZrAl3 + AlN)/Mg-Al composites by a 'matrix exchange' method

    NASA Astrophysics Data System (ADS)

    Gao, Tong; Li, Zengqiang; Hu, Kaiqi; Han, Mengxia; Liu, Xiangfa

    2018-06-01

    A method named 'matrix exchange' to synthesize ZrAl3 and AlN reinforced Mg-Al composite was developed in this paper. By inserting Al-10ZrN master alloy into Mg matrix and reheating the cooled ingot to 550 °C, Al and Mg atoms diffuse to the opposite side. As a result, liquid melt occurs once the interface areas reach to proper compositions. Then dissolved Al atoms react with ZrN, leading to the in-situ formation of ZrAl3 and AlN particles, while the Al matrix is finally replaced by Mg. This study provides a new insight for preparing Mg composites.

  9. Scanning Tunneling Microscopy Study on Dirac Nodal-line Semimetal ZrSiS

    NASA Astrophysics Data System (ADS)

    Su, Chih-Chuan; Guan, Syu-You; Wang, Tzu-Cheng; Sankar, Raman; Guo, Guang-Yu; Chou, Fangcheng; Chang, Chia-Seng; Chuang, Tien-Ming

    The discovery of 3D Dirac nodal-line protected by non-symmophic symmetry in ZrSiS family has been reported by angle resolved photoemission spectroscopy (ARPES) and quantum oscillation measurements. ZrSiS also exhibits a butterfly shaped titanic angular magnetoresistance and strong Zeeman splitting in quantum oscillation. These observations with its layered crystal structure make the ZrSiS family an interesting candidate to understand the novel properties of the nodal-line semimetals. Here, we study the electronic structures of the single crystal ZrSiS by using spectroscopic-imaging scanning tunneling microscope at T= 4.2K. Our quasiparticle scattering interference imaging reveals the characteristic wave vectors with linear dispersion from Dirac line nodes in the bulk and its surface states. Our results are in excellent agreement with the first principle calculation, and also in consistent with ARPES and quantum oscillation measurements.

  10. Statistical Modeling of Zr/Hf Extraction using TBP-D2EHPA Mixtures

    NASA Astrophysics Data System (ADS)

    Rezaeinejhad Jirandehi, Vahid; Haghshenas Fatmehsari, Davoud; Firoozi, Sadegh; Taghizadeh, Mohammad; Keshavarz Alamdari, Eskandar

    2012-12-01

    In the present work, response surface methodology was employed for the study and prediction of Zr/Hf extraction curves in a solvent extraction system using D2EHPA-TBP mixtures. The effect of change in the levels of temperature, nitric acid concentration, and TBP/D2EHPA ratio (T/D) on the Zr/Hf extraction/separation was studied by the use of central composite design. The results showed a statistically significant effect of T/D, nitric acid concentration, and temperature on the extraction percentage of Zr and Hf. In the case of Zr, a statistically significant interaction was found between T/D and nitric acid, whereas for Hf, both interactive terms between temperature and T/D and nitric acid were significant. Additionally, the extraction curves were profitably predicted applying the developed statistical regression equations; this approach is faster and more economical compared with experimentally obtained curves.

  11. Grain Refinement and Mechanical Properties of Cu-Cr-Zr Alloys with Different Nano-Sized TiCp Addition.

    PubMed

    Zhang, Dongdong; Bai, Fang; Wang, Yong; Wang, Jinguo; Wang, Wenquan

    2017-08-08

    The TiC p /Cu master alloy was prepared via thermal explosion reaction. Afterwards, the nano-sized TiC p /Cu master alloy was dispersed by electromagnetic stirring casting into the melting Cu-Cr-Zr alloys to fabricate the nano-sized TiC p -reinforced Cu-Cr-Zr composites. Results show that nano-sized TiC p can effectively refine the grain size of Cu-Cr-Zr alloys. The morphologies of grain in Cu-Cr-Zr composites changed from dendritic grain to equiaxed crystal because of the addition and dispersion of nano-sized TiC p . The grain size decreased from 82 to 28 μm with the nano-sized TiC p content. Compared with Cu-Cr-Zr alloys, the ultimate compressive strength (σ UCS ) and yield strength (σ 0.2 ) of 4 wt% TiC p -reinforced Cu-Cr-Zr composites increased by 6.7% and 9.4%, respectively. The wear resistance of the nano-sized TiCp-reinforced Cu-Cr-Zr composites increased with the increasing nano-sized TiCp content. The wear loss of the nano-sized TiC p -reinforced Cu-Cr-Zr composites decreased with the increasing TiC p content under abrasive particles. The eletrical conductivity of Cu-Cr-Zr alloys, 2% and 4% nano-sized TiCp-reinforced Cu-Cr-Zr composites are 64.71% IACS, 56.77% IACS and 52.93% IACS, respectively.

  12. Comparing XPS on bare and capped ZrN films grown by plasma enhanced ALD: Effect of ambient oxidation

    NASA Astrophysics Data System (ADS)

    Muneshwar, Triratna; Cadien, Ken

    2018-03-01

    In this article we compare x-ray photoelectron spectroscopy (XPS) measurements on bare- and capped- zirconium nitride (ZrN) films to investigate the effect of ambient sample oxidation on the detected bound O in the form of oxide ZrO2 and/or oxynitride ZrOxNy. ZrN films in both bare- and Al2O3/AlN capped- XPS samples were grown by plasma-enhanced atomic layer deposition (PEALD) technique using tetrakis dimethylamino zirconium (TDMAZr) precursor, forming gas (5% H2, rest N2) inductively coupled plasma (ICP), and as received research grade process gases under identical process conditions. Capped samples were prepared by depositing 1 nm thick PEALD AlN on ZrN, followed by additional deposition of 1 nm thick ALD Al2O3, without venting of ALD reactor. On bare ZrN sample at room temperature, spectroscopic ellipsometry (SE) measurements with increasing ambient exposure times (texp) showed a self-limiting surface oxidation with the oxide thickness (dox) approaching 3.7 ± 0.02 nm for texp > 120 min. In XPS data measured prior to sample sputtering (tsput = 0), ZrO2 and ZrOxNy were detected in bare- samples, whereas only ZrN and Al2O3/AlN from capping layer were detected in capped- samples. For bare-ZrN samples, appearance of ZrO2 and ZrOxNy up to sputter depth (dsput) of 15 nm in depth-profile XPS data is in contradiction with measured dox = 3.7 nm, but explained from sputtering induced atomic inter-diffusion within analyzed sample. Appearance of artifacts in the XPS spectra from moderately sputtered (dsput = 0.2 nm and 0.4 nm) capped-ZrN sample, provides an evidence to ion-bombardment induced modifications within analyzed sample.

  13. 2,2'-Biphenols via protecting group-free thermal or microwave-accelerated Suzuki-Miyaura coupling in water.

    PubMed

    Schmidt, Bernd; Riemer, Martin; Karras, Manfred

    2013-09-06

    User-friendly protocols for the protecting group-free synthesis of 2,2'-biphenols via Suzuki-Miyaura coupling of o-halophenols and o-boronophenol are presented. The reactions proceed in water in the presence of simple additives such as K2CO3, KOH, KF, or TBAF and with commercially available Pd/C as precatalyst. Expensive or laboriously synthesized ligands or other additives are not required. In the case of bromophenols, efficient rate acceleration and short reaction times were accomplished by microwave irradiation.

  14. Aqueous phase hydrogenation of phenol catalyzed by Pd and PdAg on ZrO 2

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Resende, Karen A.; Hori, Carla E.; Noronha, Fabio B.

    Hydrogenation of phenol in aqueous phase was studied over a series of ZrO2-supported Pd catalysts in order to explore the effects of particle size and of Ag addition on the activity of Pd. Kinetic assessments were performed in a batch reactor, on monometallic Pd/ZrO2 samples with different Pd loadings (0.5%, 1% and 2%), as well as on a 1% PdAg/ZrO2 sample. The turnover frequency (TOF) increases with the Pd particle size. The reaction orders in phenol and H2 indicate that the surface coverages by phenol, H2 and their derived intermediates are higher on 0.5% Pd/ZrO2 than on other samples. Themore » activation energy was the lowest on the least active sample (0.5% Pd/ZrO2), while being identical on 1% and 2% Pd/ZrO2 catalysts. Thus, the significantly lower activity of the small Pd particles (1-2 nm on average) in 0.5%Pd/ZrO2 is explained by the unfavorable activation entropies for the strongly bound species. The presence of Ag increases considerably the TOF of the reaction by decreasing the Ea and increasing the coverages of phenol and H2.« less

  15. Dehydriding properties of Ti or/and Zr-doped sodium aluminum hydride prepared by ball-milling

    NASA Astrophysics Data System (ADS)

    Xiao, Xue-Zhang; Chen, Li-Xin; Wang, Xin-Hua; Li, Shou-Quan; Hang, Zhou-Ming; Chen, Chang-Pin; Wang, Qi-Dong

    2007-12-01

    The NaAlH4 complex is attracting great attention for its potential applications in hydrogen-powered fuel-cell vehicles due to its high hydrogen storage capacity and suitable thermodynamic properties. However, its practicable hydrogen storage capacity presently obtained is less than the theoretical capacity (5.6 wt.%). To improve the hydrogen capacity, we chose metallic Ti or/and Zr powder as catalyst dopants, and prepared the sodium aluminum hydride by hydrogenation of ball-milled NaH/Al mixture containing 10 mol% dopants with different proportions of Ti and Zr, and then investigated the effects on their hydrogen storage (dehydriding) properties. The results showed that different catalyst dopants affected the dehydriding properties greatly. The catalysis of metal Ti as a catalyst dopant alone on dehydriding kinetics for the entire dehydrogenation process of ball-milled (NaH/Al) composite was higher than that of adopting Zr alone. The synergistic catalytic effect of Ti and Zr together as co-dopants on the dehydrogenation process of (NaH/Al) composite was higher than that using only Ti or Zr as dopant individually. The composite doped with proper proportion of Ti and Zr together (8 mol% Ti+ 2 mol% Zr) as co-dopants exhibited the highest dehydriding kinetic property and desorption capacity.

  16. Single-Crystalline UiO-67-Type Porous Network Stable to Boiling Water, Solvent Loss, and Oxidation.

    PubMed

    Wong, Yan-Lung; Yee, Ka-Kit; Hou, Yun-Long; Li, Jiaqian; Wang, Zuankai; Zeller, Matthias; Hunter, Allen D; Xu, Zhengtao

    2018-06-04

    With methylthio groups flanking the carboxyl groups, the 3,3',5,5'-tetrakis(methylthio)biphenyl dicarboxylate (TMBPD) linker forms a zirconium(IV) carboxylate porous framework featuring the topology of the UiO-67 prototype, i.e., with a face-centered-cubic array of the Zr 6 O 4 (OH) 4 clusters. Thioether functionalization proves valuable because the ZrTMBPD crystal is found to be exceptionally stable not only upon long-term exposure to air but also in boiling water and a broad range of pH conditions. The hydrophobicity of the metal-organic framework can also be tuned by simple H 2 O 2 oxidation, as illustrated in the water contact-angle measurement of the pristine and H 2 O 2 -treated ZrTMBPD solid.

  17. Experimental Investigation of the 1073 K (800 °C) Isothermal Section of the Al-V-Zr Ternary System

    NASA Astrophysics Data System (ADS)

    Zhu, Yude; Ouyang, Xuemei; Yin, Fucheng; Zhao, Manxiu; Lou, Jia

    2018-03-01

    This work is focused on an experimental investigation of the phase equilibria of the Al-V-Zr system at 1073 K (800 °C). The phase equilibria were analyzed using scanning electron microscopy (SEM) coupled with energy-dispersive spectrometry and X-ray diffraction. The results confirmed the presence of twelve three-phase regions and one ternary compound, Τ, which contains 10.0 to 16.5 at. pct Zr, 52.8 to 55.2 at. pct Al, and 29.3 to 36.3 at. pct V. The T phase can be in equilibrium with Al8V5, Al3Zr, Al2Zr, and α-V. The T phase belongs to the tetragonal crystal system with confirmed lattice parameters of a = 0.658531 nm and c = 0.517334 nm. The Al2Zr phase region is extraordinarily large and can be in equilibrium with all the compounds in the Al-Zr and V-Zr systems, with the exception of the AlZr phase.

  18. Role of ZrO 2 in Promoting the Activity and Selectivity of Co-Based Fischer–Tropsch Synthesis Catalysts

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Johnson, Gregory R.; Bell, Alexis T.

    2015-11-17

    The effects of Zr promotion on the structure and performance of Co-based Fischer-Tropsch synthesis (FTS) catalysts were investigated. Inclusion of Zr in the catalysts was found to increase the FTS turnover frequency and the selectivity to C 5+ hydrocarbons and to decrease the selectivity to methane under most operating conditions. These improvements to the catalytic performance are a function of Zr loading up to an atomic ratio of Zr/Co = 1.0, above which the product selectivity is insensitive to higher concentrations of the promoter. Characterization of the Co nanoparticles by different methods demonstrated that the optimal Zr loading corresponds tomore » half monolayer coverage of the Co surface by the promoter. Measurements of the rate of FTS at different pressures and temperatures established that the kinetics data for both the Zr-promoted and unpromoted catalysts are described by a two-parameter Langmuir-Hinshelwood expression. The parameters used to fit this rate law to the experimental data indicate that the apparent rate coefficient and the CO adsorption constant for the Zr-promoted catalysts are higher than those for the unpromoted catalyst. Elemental mapping by means of STEM-EDS provided evidence that Zr is highly dispersed over the catalyst surface and has limited preference for association with the Co nanoparticles. In situ X-ray absorption spectroscopy confirmed the absence of mixing between the Zr and Co in the nanoparticles. Here, these results suggest that Zr exists as a partial layer of ZrO 2 on the surface of the Co metal nanoparticles. Accordingly, it is proposed that Zr promotion effects originate from sites of enhanced activity at the interface between Co and ZrO 2. The possibility that ZrO 2 acts as a Lewis acid to assist in CO dissociation as well as to increase the ratio of CO to H adsorbed on the catalyst surface is discussed.« less

  19. Thermal stability of the microstructure of an aged Nb-Zr-C alloy

    NASA Technical Reports Server (NTRS)

    Uz, Mehmet; Titran, Robert H.

    1990-01-01

    The effects of thermal aging with and without an applied stress on the microstructure of a Nb-Zr-C alloy containing 0.9 wt percent Zr and 0.06 wt percent C were studied. Chemical analysis, metallographic examination, energy dispersive x-ray spectra of the bulk material, and chemical and x-ray analyses of the phase-extracted residue were used to characterize the microstructure. The samples examined were from a creep strength study involving hot and cold working, and various combinations of exposure to temperatures ranging from 1350 to 1755 K with and without applied load for times as long as 34,000 plus hours. The results showed that the initial microstructure consisted primarily of orthorombic precipitates of Nb sub 2 C which were partially or completely transformed to face-centered cubic carbides of nb and Zr, (Zr, Nb)C, upon prolonged exposure to elevated temperatures. Furthermore, it was found that the microstructure of the alloy is extremely stable owing to the very finely distributed precipitates throughout its matrix and along the grain boundaries. The lattice parameters of the cubic carbides were determed to vary from 0.458 to 0.465 nm as the Zr/Nb ratio varied from 38/62 to 75/25.

  20. Accelerated Monte Carlo Simulation on the Chemical Stage in Water Radiolysis using GPU

    PubMed Central

    Tian, Zhen; Jiang, Steve B.; Jia, Xun

    2018-01-01

    The accurate simulation of water radiolysis is an important step to understand the mechanisms of radiobiology and quantitatively test some hypotheses regarding radiobiological effects. However, the simulation of water radiolysis is highly time consuming, taking hours or even days to be completed by a conventional CPU processor. This time limitation hinders cell-level simulations for a number of research studies. We recently initiated efforts to develop gMicroMC, a GPU-based fast microscopic MC simulation package for water radiolysis. The first step of this project focused on accelerating the simulation of the chemical stage, the most time consuming stage in the entire water radiolysis process. A GPU-friendly parallelization strategy was designed to address the highly correlated many-body simulation problem caused by the mutual competitive chemical reactions between the radiolytic molecules. Two cases were tested, using a 750 keV electron and a 5 MeV proton incident in pure water, respectively. The time-dependent yields of all the radiolytic species during the chemical stage were used to evaluate the accuracy of the simulation. The relative differences between our simulation and the Geant4-DNA simulation were on average 5.3% and 4.4% for the two cases. Our package, executed on an Nvidia Titan black GPU card, successfully completed the chemical stage simulation of the two cases within 599.2 s and 489.0 s. As compared with Geant4-DNA that was executed on an Intel i7-5500U CPU processor and needed 28.6 h and 26.8 h for the two cases using a single CPU core, our package achieved a speed-up factor of 171.1-197.2. PMID:28323637

  1. Bone response to a novel Ti-Ta-Nb-Zr alloy.

    PubMed

    Stenlund, Patrik; Omar, Omar; Brohede, Ulrika; Norgren, Susanne; Norlindh, Birgitta; Johansson, Anna; Lausmaa, Jukka; Thomsen, Peter; Palmquist, Anders

    2015-07-01

    Commercially pure titanium (cp-Ti) is regarded as the state-of-the-art material for bone-anchored dental devices, whereas the mechanically stronger alloy (Ti-6Al-4V), made of titanium, aluminum (Al) and vanadium (V), is regarded as the material of choice for high-load applications. There is a call for the development of new alloys, not only to eliminate the potential toxic effect of Al and V but also to meet the challenges imposed on dental and maxillofacial reconstructive devices, for example. The present work evaluates a novel, dual-stage, acid-etched, Ti-Ta-Nb-Zr alloy implant, consisting of elements that create low toxicity, with the potential to promote osseointegration in vivo. The alloy implants (denoted Ti-Ta-Nb-Zr) were evaluated after 7 days and 28 days in a rat tibia model, with reference to commercially pure titanium grade 4 (denoted Ti). Analyses were performed with respect to removal torque, histomorphometry and gene expression. The Ti-Ta-Nb-Zr showed a significant increase in implant stability over time in contrast to the Ti. Further, the histological and gene expression analyses suggested faster healing around the Ti-Ta-Nb-Zr, as judged by the enhanced remodeling, and mineralization, of the early-formed woven bone and the multiple positive correlations between genes denoting inflammation, bone formation and remodeling. Based on the present experiments, it is concluded that the Ti-Ta-Nb-Zr alloy becomes osseointegrated to at least a similar degree to that of pure titanium implants. This alloy is therefore emerging as a novel implant material for clinical evaluation. Copyright © 2015 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

  2. Atomic layer deposition of ZrO2 on W for metal-insulator-metal capacitor application

    NASA Astrophysics Data System (ADS)

    Lee, Sang-Yun; Kim, Hyoungsub; McIntyre, Paul C.; Saraswat, Krishna C.; Byun, Jeong-Soo

    2003-04-01

    A metal-insulator-metal (MIM) capacitor using ZrO2 on tungsten (W) metal bottom electrode was demonstrated and characterized in this letter. Both ZrO2 and W metal were synthesized by an atomic layer deposition (ALD) method. High-quality 110˜115 Å ZrO2 films were grown uniformly on ALD W using ZrCl4 and H2O precursors at 300 °C, and polycrystalline ZrO2 in the ALD regime could be obtained. A 13˜14-Å-thick interfacial layer between ZrO2 and W was observed after fabrication, and it was identified as WOx through angle-resolved x-ray photoelectron spectroscopy analysis with wet chemical etching. The apparent equivalent oxide thickness was 20˜21 Å. An effective dielectric constant of 22˜25 including an interfacial WOx layer was obtained by measuring capacitance and thickness of MIM capacitors with Pt top electrodes. High capacitance per area (16˜17 fF/μm2) and low leakage current (10-7 A/cm2 at ±1 V) were achieved.

  3. Oxidation of ZrB2 SiC TaSi2 Materials at Ultra High Temperatures

    NASA Technical Reports Server (NTRS)

    Opila, E.; Smith, J.; Levine, S.; Lorincz, J.; Reigel, M.

    2008-01-01

    ZrB2 - 20v% SiC - 20v% TaSi2 was oxidized in stagnant air for ten minute cycles for times up to 100 minutes at 1627 C and 1927 C. The sample oxidized at 1627 C showed oxidation resistance better than that of the standard ZrB2 - 20v% SiC. The sample oxidized at 1927 C, however, showed evidence of liquid phase formation and complex oxidation products. The sample exposed at 1927 C was analyzed in detail by scanning electron microprobe and wavelength dispersive spectroscopy to understand the complex oxidation and melting reactions occurring during exposure. The as hot-pressed material shows the formation of a Zr(Ta)B2 phase in addition to the three phases in the nominal composition already noted. After oxidation, the TaSi2 in the matrix was completely reacted to form Ta(Zr)C. The layered oxidation products included SiO2, ZrO2, Ta2O5, and a complex oxide containing both Zr and Ta. Likely reactions are proposed based on thermodynamic phase stability and phase morphology.

  4. Brazing characteristics of a Zr-Ti-Cu-Fe eutectic alloy filler metal for Zircaloy-4

    NASA Astrophysics Data System (ADS)

    Lee, Jung G.; Lim, C. H.; Kim, K. H.; Park, S. S.; Lee, M. K.; Rhee, C. K.

    2013-10-01

    A Zr-Ti-Cu-Fe quaternary eutectic alloy was employed as a new Be-free brazing filler metal for Zircaloy-4 to supersede physically vapor-deposited Be coatings used conventionally with several disadvantages. The quaternary eutectic composition of Zr58Ti16Cu10Fe16 (at.%) showing a low melting temperature range from 832 °C to 853 °C was designed by a partial substitution of Zr with Ti based on a Zr-Cu-Fe ternary eutectic system. By applying an alloy ribbon with the determined composition, a highly reliable joint was obtained with a homogeneous formation of predominantly grown α-Zr phases owing to a complete isothermal solidification, exhibiting strength higher than that of Zircaloy-4. The homogenization of the joint was rate-controlled by the diffusion of the filler elements (Ti, Cu, and Fe) into the Zircaloy-4 base metal, and the detrimental segregation of the Zr2Fe phase in the central zone was completely eliminated by an isothermal holding at a brazing temperature of 920 °C for 10 min.

  5. Magnetic and crystallographic properties of ZrM 2-δZn 20+δ (M=Cr–Cu)

    DOE PAGES

    Svanidze, E.; II, M. Kindy; Georgen, C.; ...

    2016-04-29

    Single crystals of the cubic Laves ternaries ZrM 2-δZn 20+δ (M=Mn, Fe, Co, Ni and Cu, 0 ≤ δ ≤ 1) have been synthesized in this paper using a self-flux method. The magnetic properties of these compounds were compared with structurally similar cubic binaries ZrM 2 (M=Mn, Fe, Co, Ni and Cu). A transition from local to itinerant moment magnetism was observed for M=Fe and M=Mn, while all other ternaries exhibit weakly para- or diamagnetic behavior. The local-to-itinerant crossover can be explained by a nearly two-fold increase of the M–M bond length d M–M in ZrM 2-δZn 20+δ compounds, asmore » compared with the ZrM 2 binaries. Additionally, we report two new compounds in this series ZrCrZn 21 and ZrCu 2Zn 20. Finally, analysis of crystallographic and magnetic trends in these materials will aid in understanding of magnetism in general and 3d intermetallics in particular.« less

  6. Toward optimizing dental implant performance: Surface characterization of Ti and TiZr implant materials.

    PubMed

    Murphy, M; Walczak, M S; Thomas, A G; Silikas, N; Berner, S; Lindsay, R

    2017-01-01

    Targeting understanding enhanced osseointegration kinetics, the goal of this study was to characterize the surface morphology and composition of Ti and TiZr dental implant substrates subjected to one of two surface treatments developed by Straumann. These two treatments are typically known as SLA and SLActive, with the latter resulting in more rapid osseointegration. A range of techniques was applied to characterize four different substrate/surface treatment combinations (Ti SLA , Ti SLActive , TiZr SLA , and TiZr SLActive ). Contact angle measurements established their hydrophilic/hydrophobic nature. Surface morphology was probed with scanning electron microscopy. X-ray diffraction, Raman μ-spectroscopy, and X-ray photoelectron spectroscopy were used to elucidate the composition of the near-surface region. Consistent with previous work, surface morphology was found to differ only at the nanoscale, with both SLActive substrates displaying nano-protrusions. Spectroscopic data indicate that all substrates exhibit surface films of titanium oxide displaying near TiO 2 stoichiometry. Raman μ-spectroscopy reveals that amorphous TiO 2 is most likely the only phase present on Ti SL A , whilst rutile-TiO 2 is also evidenced on Ti SLActive , TiZr SLA , and TiZr SLActive . For TiZr alloy substrates, there is no evidence of discrete phases of oxidized Zr. X-ray photoelectron spectra demonstrate that all samples are terminated by adventitious carbon, with it being somewhat thicker (∼1nm) on Ti SL A and TiZr SLA . Given previous in vivo studies, acquired data suggest that both nanoscale protrusions, and a thinner layer of adventitious carbon contribute to the more rapid osseointegration of SLActive dental implants. Composition of the surface oxide layer is apparently less important in determining osseointegration kinetics. Copyright © 2016 The Academy of Dental Materials. Published by Elsevier Ltd. All rights reserved.

  7. Thermal phase separation of ZrSiO4 thin films and frequency- dependent electrical characteristics of the Al/ZrSiO4/p-Si/Al MOS capacitors

    NASA Astrophysics Data System (ADS)

    Lok, R.; Kaya, S.; Yilmaz, E.

    2018-05-01

    In this work, the thermal phase separation and annealing optimization of ZrSiO4 thin films have been carried out. Following annealing optimization, the frequency-dependent electrical characteristics of the Al/ZrSiO4/p-Si/Al MOS capacitors were investigated in detail. The chemical evolution of the films under various annealing temperatures was determined by Fourier transform infrared spectroscopy (FTIR) measurements. The phase separation was determined by x-ray diffraction (XRD) measurements. The electrical parameters were determined via the capacitance–voltage (C–V), conductance–voltage (G/ω) and leakage-current–voltage (Ig–Vg ). The results demonstrate that zirconium silicate formations are present at 1000 °C annealing with the SiO2 interfacial layer. The film was in amorphous form after annealing at 250 °C. The tetragonal phases of ZrO2 were obtained after annealing at 500 °C. When the temperature approaches 750 °C, transitions from the tetragonal phase to the monoclinic phase were observed. The obtained XRD peaks after 1000 °C annealing matched the crystalline peaks of ZrSiO4. This means that the crystalline zirconium dioxide in the structure has been converted into a crystalline silicate phase. The interface states increased to 5.71 × 1010 and the number of border traps decreased to 7.18 × 1010 cm‑2 with the increasing temperature. These results indicate that an excellent ZrSiO4/Si interface has been fabricated. The order of the leakage current varied from 10‑9 Acm‑2 to 10‑6 Acm‑2. The MOS capacitor fabricated with the films annealed at 1000 °C shows better behavior in terms of its structural, chemical and electrical properties. Hence, detailed frequency-dependent electrical characteristics were performed for the ZrSiO4 thin film annealed at 1000 °C. Very slight capacitance variations were observed under the frequency variations. This shows that the density of frequency-dependent charges is very low at the ZrSiO4/Si interface. The

  8. PET Imaging of Tumor-Associated Macrophages with 89Zr-Labeled High-Density Lipoprotein Nanoparticles

    PubMed Central

    Pérez-Medina, Carlos; Tang, Jun; Abdel-Atti, Dalya; Hogstad, Brandon; Merad, Miriam; Fisher, Edward A.; Fayad, Zahi A.; Lewis, Jason S.; Mulder, Willem J.M.; Reiner, Thomas

    2015-01-01

    Tumor-associated macrophages (TAMs) are increasingly investigated in cancer immunology and are considered a promising target for better and tailored treatment of malignant growth. Although TAMs also have high diagnostic and prognostic value, TAM imaging still remains largely unexplored. Here, we describe the development of reconstituted high-density lipoprotein (rHDL)–facilitated TAM PET imaging in a breast cancer model. Methods Radiolabeled rHDL nanoparticles incorporating the long-lived positron-emitting nuclide 89Zr were developed using 2 different approaches. The nanoparticles were composed of phospholipids and apolipoprotein A-I (apoA-I) in a 2.5:1 weight ratio. 89Zr was complexed with deferoxamine (also known as desferrioxamine B, desferoxamine B), conjugated either to a phospholipid or to apoA-I to generate 89Zr-PL-HDL and 89Zr-AI-HDL, respectively. In vivo evaluation was performed in an orthotopic mouse model of breast cancer and included pharmacokinetic analysis, biodistribution studies, and PET imaging. Ex vivo histologic analysis of tumor tissues to assess regional distribution of 89Zr radioactivity was also performed. Fluorescent analogs of the radiolabeled agents were used to determine cell-targeting specificity using flow cytometry. Results The phospholipid- and apoA-I–labeled rHDL were produced at 79% ± 13% (n = 6) and 94% ± 6% (n = 6) radiochemical yield, respectively, with excellent radiochemical purity (>99%). Intravenous administration of both probes resulted in high tumor radioactivity accumulation (16.5 ± 2.8 and 8.6 ± 1.3 percentage injected dose per gram for apoA-I– and phospholipid-labeled rHDL, respectively) at 24 h after injection. Histologic analysis showed good colocalization of radioactivity with TAM-rich areas in tumor sections. Flow cytometry revealed high specificity of rHDL for TAMs, which had the highest uptake per cell (6.8-fold higher than tumor cells for both DiO@Zr-PL-HDL and DiO@Zr-AI-HDL) and accounted for 40.7% and

  9. Biocorrosion Evaluation on a Zr-Cu-Ag-Ti Metallic Glass

    NASA Astrophysics Data System (ADS)

    Kumar, Shresh; Anwar, Rebin; Ryu, Wookha; Park, E. S.; Vincent, S.

    2018-04-01

    Metallic glasses are in high demand for fabrication of variety of innovative products, in particular surgical and biomedical tools and devices owing to its excellent biocompatible properties. In the present investigation, a novel Zr39.5Cu50.5Ag4Ti6 metallic glass composition was synthesized using melt spinning technique. Potentiodynamic polarization studies were conducted to investigate bio-corrosion behaviour of Zr39.5Cu50.5Ag4Ti6 metallic glass. The test were conducted in various simulated artificial body conditions such as artificial saliva solution, phosphate-buffered saline solution, artificial blood plasma solution, and Hank’s balanced saline solution. The bio-corrosion results of metallic glass were compared with traditional biomaterials. The study aims to provide bio-compatible properties of Zr39.5Cu50.5Ag4Ti6 metallic glass.

  10. Magnetic susceptibility, artifact volume in MRI, and tensile properties of swaged Zr-Ag composites for biomedical applications.

    PubMed

    Imai, Haruki; Tanaka, Yoji; Nomura, Naoyuki; Doi, Hisashi; Tsutsumi, Yusuke; Ono, Takashi; Hanawa, Takao

    2017-02-01

    Zr-Ag composites were fabricated to decrease the magnetic susceptibility by compensating for the magnetic susceptibility of their components. The Zr-Ag composites with a different Zr-Ag ratio were swaged, and their magnetic susceptibility, artifact volume, and mechanical properties were evaluated by magnetic balance, three-dimensional (3-D) artifact rendering, and a tensile test, respectively. These properties were correlated with the volume fraction of Ag using the linear rule of mixture. We successfully obtained the swaged Zr-Ag composites up to the reduction ratio of 96% for Zr-4, 16, 36, 64Ag and 86% for Zr-81Ag. However, the volume fraction of Ag after swaging tended to be lower than that before swaging, especially for Ag-rich Zr-Ag composites. The magnetic susceptibility of the composites linearly decreased with the increasing volume fraction of Ag. No artifact could be estimated with the Ag volume fraction in the range from 93.7% to 95.4% in three conditions. Young's modulus, ultimate tensile strength (UTS), and 0.2% yield strength of Zr-Ag composites showed slightly lower values compared to the estimated values using a linear rule of mixture. The decrease in magnetic susceptibility of Zr and Ag by alloying or combining would contribute to the decrease of the Ag fraction, leading to the improvement of mechanical properties. Copyright © 2016 Elsevier Ltd. All rights reserved.

  11. Oxidation behavior of FeAl+Hf,Zr,B

    NASA Technical Reports Server (NTRS)

    Smialek, James L.; Doychak, Joseph

    1988-01-01

    The oxidation behavior of Fe-40Al-1Hf, Fe-40Al-1Hf-0.4B, and Fe-40Al-0.1Zr-0.4B (at. percent) alloys was characterized after 900, 1000, and 100 C exposures. Isothermal tests revealed parabolic kinetics after a period of transitional theta-alumina scale growth. The parabolic growth rates for the subsequent alpha-alumina scales were about five times higher than those for NiAl+0.1Zr alloys. The isothermally grown scales showed a propensity toward massive scale spallation due to both extensive rumpling from growth stresses and to an inner layer of HfO2. Cyclic oxidation for 200 1-hr cycles produced little degradation at 900 or 1000 C, but caused significant spallation at 1100 C in the form of small segments of the outer scale. The major difference in the cyclic oxidation of the three FeAl alloys was increased initial spallation for FeAl+Zr,B. Although these FeAl alloys showed many similarities to NiAl alloys, they were generally less oxidation resistant. It is believed that this resulted from nonoptimal levels of dopants and larger thermal expansion mismatch stresses.

  12. Effect of Annealing Processes on Cu-Zr Alloy Film for Copper Metallization

    NASA Astrophysics Data System (ADS)

    Wang, Ying; Li, Fu-yin; Tang, Bin-han

    2017-12-01

    The effect of two different annealing processes on the microstructure and barrier-forming ability of Cu-Zr alloy films has been investigated. Cu-Zr alloy films were deposited directly onto SiO2/Si substrates via direct current magnetron sputtering and subsequently annealed by the vacuum annealing process (VAP) or rapid annealing process under argon atmosphere at temperatures 350°C, 450°C, and 550°C. Then, the microstructure, interface characteristics, and electrical properties of the samples were measured. After annealing, the samples showed a preferential (111) crystal orientation, independent of the annealing process. After two annealing methods, Zr aggregated at the Cu-Zr/SiO2 interface and no serious interdiffusion occurred between Cu and Si. The leakage current measurements revealed that the samples annealed by VAP show a higher reliability. According to the results, the vacuum annealing has better barrier performance than the rapid annealing when used for the fabrication of Cu-based interconnects.

  13. Interdiffusion and reactions between U-Mo and Zr at 650 °C as a function of time

    NASA Astrophysics Data System (ADS)

    Park, Y.; Keiser, D. D.; Sohn, Y. H.

    2015-01-01

    Development of monolithic U-Mo alloy fuel (typically U-10 wt.%Mo) for the Reduced Enrichment for Research and Test Reactors (RERTR) program entails a use of Zr diffusion barrier to eliminate the interdiffusion-reactions between the fuel alloy and Al-alloy cladding. The application of Zr barrier to the U-Mo fuel system requires a co-rolling process that utilizes a soaking temperature of 650 °C, which represents the highest temperature the fuel system is exposed to during both fuel manufacturing and reactor application. Therefore, in this study, development of phase constituents, microstructure and diffusion kinetics of U-10 wt.%Mo and Zr was examined using solid-to-solid diffusion couples annealed at 650 °C for 240, 480 and 720 h. Phase constituents and microstructural development were analyzed by scanning electron microscopy (SEM) and transmission electron microscopy (TEM). Concentration profiles were mapped as diffusion paths on the isothermal ternary phase diagram. Within the diffusion zone, single-phase layers of β-Zr and β-U were observed along with a discontinuous layer of Mo2Zr between the β-Zr and β-U layers. In the vicinity of Mo2Zr phase, islands of α-Zr phases were also found. In addition, acicular α-Zr and U6Zr3Mo phases were observed within the γ-U(Mo) terminal alloy. Growth rate of the interdiffusion-reaction zone was determined to be 7.75 (± 5.84) × 10-16 m2/s at 650 °C, however with an assumption of a certain incubation period.

  14. Ca2+-exchange in layered zirconium orthophosphate, α-ZrP: Chemical study and potential application for zinc corrosion inhibition

    NASA Astrophysics Data System (ADS)

    Bouali, Imane; Rocca, Emmanuel; Veys-Renaux, Delphine; Rhouta, Benaissa; Khalil, Aziza; Aït Aghzzaf, Ahmed

    2017-11-01

    The control of the corrosion phenomenon occurring at the metal interface requires the development of new non-toxic anticorrosion additives. For this purpose, zirconium orthophosphate compounds (Zr(HPO4)2,H2O noted α-ZrP) were synthesized by both hydrothermal and refluxing methods The Ca2+-cationic exchange in the layered structure is kinetically favoured by low crystallinity of α-ZrP synthesized by refluxing process, and leads to the formation of CaZr(PO4)2,4H2O, noted Ca2+-ZrP. The H+/Ca2+ exchange mechanism is mainly triggered by acid-base considerations, and especially the pKa of α-ZrP/Ca2+-ZrP acid-base couple (evaluated to 2.5). Both compounds are acidic compounds by internal exchangeable H+ for α-ZrP and surface protons for Ca2+-ZrP, and can be used as potential inhibitors of zinc corrosion. Electrochemical measurements show that Ca2+-ZrP compounds dispersed in the NaCl electrolyte buffer the pH value over a long time and therefore allow controlling the corrosion rate of zinc.

  15. Electronic properties and bonding in Zr Hx thin films investigated by valence-band x-ray photoelectron spectroscopy

    NASA Astrophysics Data System (ADS)

    Magnuson, Martin; Schmidt, Susann; Hultman, Lars; Högberg, Hans

    2017-11-01

    The electronic structure and chemical bonding in reactively magnetron sputtered Zr Hx (x =0.15 , 0.30, 1.16) thin films with oxygen content as low as 0.2 at.% are investigated by 4d valence band, shallow 4p core-level, and 3d core-level x-ray photoelectron spectroscopy. With increasing hydrogen content, we observe significant reduction of the 4d valence states close to the Fermi level as a result of redistribution of intensity toward the H 1s-Zr 4d hybridization region at ˜6 eV below the Fermi level. For low hydrogen content (x =0.15 , 0.30), the films consist of a superposition of hexagonal closest-packed metal (α phase) and understoichiometric δ -Zr Hx (Ca F2 -type structure) phases, while for x =1.16 , the films form single-phase Zr Hx that largely resembles that of stoichiometric δ -Zr H2 phase. We show that the cubic δ -Zr Hx phase is metastable as thin film up to x =1.16 , while for higher H contents the structure is predicted to be tetragonally distorted. For the investigated Zr H1.16 film, we find chemical shifts of 0.68 and 0.51 eV toward higher binding energies for the Zr 4 p3 /2 and 3 d5 /2 peak positions, respectively. Compared to the Zr metal binding energies of 27.26 and 178.87 eV, this signifies a charge transfer from Zr to H atoms. The change in the electronic structure, spectral line shapes, and chemical shifts as a function of hydrogen content is discussed in relation to the charge transfer from Zr to H that affects the conductivity by charge redistribution in the valence band.

  16. Influence of N2 partial pressure on structural and microhardness properties of TiN/ZrN multilayers deposited by Ar/N2 vacuum arc discharge

    NASA Astrophysics Data System (ADS)

    Naddaf, M.; Abdallah, B.; Ahmad, M.; A-Kharroub, M.

    2016-08-01

    The influence of N2 partial pressure on structural, mechanical and wetting properties of multilayered TiN/ZrN thin films deposited on silicon substrates by vacuum arc discharge of (N2 + Ar) gas mixtures is investigated. X-ray diffraction (XRD) results show that the average texturing coefficient of (1 1 1) orientation and the grain size of both TiN and ZrN individual layers increase with increasing the N2 partial pressure. The Rutherford back scattering (RBS) measurements and analysis reveal that incorporation of the nitrogen in the film increases with increasing the N2 partial pressure and both TiN and ZrN individual layers have a nitrogen over-stoichiometry for N2 partial pressure ⩾50%. The change in the film micro-hardness is correlated to the changes in crystallographic texture, grain size, stoichiometry and the residual stress in the film as a function of the N2 partial pressure. In particular, stoichiometry of ZrN and TiN individual is found to play the vital role in determining the multilayer hardness. The multilayer film deposited at N2 partial pressure of 25% has the best stoichiometric ratio of both TiN and ZrN layers and the highest micro-hardness of about 32 GPa. In addition, water contact angle (WCA) measurements and analysis show a decrease in the work of adhesion on increasing the N2 partial pressure.

  17. The intrinsic disorder related alloy scattering in ZrNiSn half-Heusler thermoelectric materials

    PubMed Central

    Xie, Hanhui; Wang, Heng; Fu, Chenguang; Liu, Yintu; Snyder, G. Jeffrey; Zhao, Xinbing; Zhu, Tiejun

    2014-01-01

    The intrinsic structural disorder dramatically affects the thermal and electronic transport in semiconductors. Although normally considered an ordered compound, the half-Heusler ZrNiSn displays many transport characteristics of a disordered alloy. Similar to the (Zr,Hf)NiSn based solid solutions, the unsubstituted ZrNiSn compound also exhibits charge transport dominated by alloy scattering, as demonstrated in this work. The unexpected charge transport, even in ZrNiSn which is normally considered fully ordered, can be explained by the Ni partially filling interstitial sites in this half-Heusler system. The influence of the disordering and defects in crystal structure on the electron transport process has also been quantitatively analyzed in ZrNiSn1-xSbx with carrier concentration nH ranging from 5.0×1019 to 2.3×1021 cm−3 by changing Sb dopant content. The optimized carrier concentration nH ≈ 3–4×1020 cm−2 results in ZT ≈ 0.8 at 875K. This work suggests that MNiSn (M = Hf, Zr, Ti) and perhaps most other half-Heusler thermoelectric materials should be considered highly disordered especially when trying to understand the electronic and phonon structure and transport features. PMID:25363573

  18. Experimental Determination of Impurity and Interdiffusion Coefficients in Seven Ti and Zr Binary Systems Using Diffusion Multiples

    NASA Astrophysics Data System (ADS)

    Chen, Zhangqi; Liu, Zi-Kui; Zhao, Ji-Cheng

    2018-05-01

    Diffusion coefficients of seven binary systems (Ti-Mo, Ti-Nb, Ti-Ta, Ti-Zr, Zr-Mo, Zr-Nb, and Zr-Ta) at 1200 °C, 1000 °C, and 800 °C were experimentally determined using three Ti-Mo-Nb-Ta-Zr diffusion multiples. Electron probe microanalysis (EPMA) was performed to collect concentration profiles at the binary diffusion regions. Forward simulation analysis (FSA) was then applied to extract both impurity and interdiffusion coefficients in Ti-rich and Zr-rich part of the bcc phase. Excellent agreements between our results and most of the literature data validate the high-throughput approach combining FSA with diffusion multiples to obtain a large amount of systematic diffusion data, which will help establish the diffusion (mobility) databases for the design and development of biomedical and structural Ti alloys.

  19. Experimental Determination of Impurity and Interdiffusion Coefficients in Seven Ti and Zr Binary Systems Using Diffusion Multiples

    NASA Astrophysics Data System (ADS)

    Chen, Zhangqi; Liu, Zi-Kui; Zhao, Ji-Cheng

    2018-07-01

    Diffusion coefficients of seven binary systems (Ti-Mo, Ti-Nb, Ti-Ta, Ti-Zr, Zr-Mo, Zr-Nb, and Zr-Ta) at 1200 °C, 1000 °C, and 800 °C were experimentally determined using three Ti-Mo-Nb-Ta-Zr diffusion multiples. Electron probe microanalysis (EPMA) was performed to collect concentration profiles at the binary diffusion regions. Forward simulation analysis (FSA) was then applied to extract both impurity and interdiffusion coefficients in Ti-rich and Zr-rich part of the bcc phase. Excellent agreements between our results and most of the literature data validate the high-throughput approach combining FSA with diffusion multiples to obtain a large amount of systematic diffusion data, which will help establish the diffusion (mobility) databases for the design and development of biomedical and structural Ti alloys.

  20. Ultrasound-assisted sol-gel synthesis of ZrO2.

    PubMed

    Guel, Marlene Lariza Andrade; Jiménez, Lourdes Díaz; Hernández, Dora Alicia Cortés

    2017-03-01

    Synthesis of tetragonal ZrO 2 by both conventional sol-gel and ultrasound-assisted sol-gel methods and using a non-ionic surfactant Tween-20, was performed. A porous microstructure composed of nanometric particles was observed. Tetragonal ZrO 2 was obtained using a low heat treatment temperature of powders, 500°C by both methods. A higher crystallinity and a shorter reaction time were observed when ultrasound was used in the sol-gel method due to the cavitation phenomenon. Copyright © 2016 Elsevier B.V. All rights reserved.

  1. Microstructure and mechanical properties of rapidly solidified B2-type Zr–Co alloys containing a second phase of Zr2Co

    NASA Astrophysics Data System (ADS)

    Li, Peiyou

    2018-04-01

    Microstructure and mechanical properties of B2-type Zr–Co alloys containing a second phase (Zr2Co) were investigated. Results show that the as-cast Zr52Co48, Zr54Co46, and Zr56Co44 alloys are composed of a eutectic structure of B2 and Zr2Co phases. Relative amounts of Zr2Co phases increase with an increase in Zr content. Zr54Co46 exhibits high yield strength, high Vickers hardness, good ductility, and high toughness values, and thus, Zr54Co46 can be considered to be a novel engineering material. The increase in strength and decrease in plastic strain of the alloys are mainly attributed to the increase in high strength of the brittle Zr2Co phase and to grain refining of the B2 matrix phase.

  2. Reduction of mixed Mn-Zr oxides: in situ XPS and XRD studies.

    PubMed

    Bulavchenko, O A; Vinokurov, Z S; Afonasenko, T N; Tsyrul'nikov, P G; Tsybulya, S V; Saraev, A A; Kaichev, V V

    2015-09-21

    A series of mixed Mn-Zr oxides with different molar ratios Mn/Zr (0.1-9) have been prepared by coprecipitation of manganese and zirconium nitrates and characterized by X-ray diffraction (XRD) and BET methods. It has been found that at concentrations of Mn below 30 at%, the samples are single-phase solid solutions (MnxZr1-xO2-δ) based on a ZrO2 structure. X-ray photoelectron spectroscopy (XPS) measurements showed that manganese in these solutions exists mainly in the Mn(4+) state on the surface. An increase in Mn content mostly leads to an increase in the number of Mn cations in the structure of solid solutions; however, a part of the manganese cations form Mn2O3 and Mn3O4 in the crystalline and amorphous states. The reduction of these oxides with hydrogen was studied by a temperature-programmed reduction technique, in situ XRD, and near ambient pressure XPS in the temperature range from 100 to 650 °C. It was shown that the reduction of the solid solutions MnxZr1-xO2-δ proceeds via two stages. During the first stage, at temperatures between 100 and 500 °C, the Mn cations incorporated into the solid solutions MnxZr1-xO2-δ undergo partial reduction. During the second stage, at temperatures between 500 and 700 °C, Mn cations segregate on the surface of the solid solution. In the samples with more than 30 at% Mn, the reduction of manganese oxides was observed: Mn2O3 → Mn3O4 → MnO.

  3. Flow accelerated organic coating degradation

    NASA Astrophysics Data System (ADS)

    Zhou, Qixin

    Applying organic coatings is a common and the most cost effective way to protect metallic objects and structures from corrosion. Water entry into coating-metal interface is usually the main cause for the deterioration of organic coatings, which leads to coating delamination and underfilm corrosion. Recently, flowing fluids over sample surface have received attention due to their capability to accelerate material degradation. A plethora of works has focused on the flow induced metal corrosion, while few studies have investigated the flow accelerated organic coating degradation. Flowing fluids above coating surface affect corrosion by enhancing the water transport and abrading the surface due to fluid shear. Hence, it is of great importance to understand the influence of flowing fluids on the degradation of corrosion protective organic coatings. In this study, a pigmented marine coating and several clear coatings were exposed to the laminar flow and stationary immersion. The laminar flow was pressure driven and confined in a flow channel. A 3.5 wt% sodium chloride solution and pure water was employed as the working fluid with a variety of flow rates. The corrosion protective properties of organic coatings were monitored inline by Electrochemical Impedance Spectroscopy (EIS) measurement. Equivalent circuit models were employed to interpret the EIS spectra. The time evolution of coating resistance and capacitance obtained from the model was studied to demonstrate the coating degradation. Thickness, gloss, and other topography characterizations were conducted to facilitate the assessment of the corrosion. The working fluids were characterized by Fourier Transform Infrared Spectrometer (FTIR) and conductivity measurement. The influence of flow rate, fluid shear, fluid composition, and other effects in the coating degradation were investigated. We conclude that flowing fluid on the coating surface accelerates the transport of water, oxygen, and ions into the coating, as

  4. Structural Studies of dielectric HDPE+ZrO2 polymer nanocomposites: filler concentration dependences

    NASA Astrophysics Data System (ADS)

    Nabiyev, A. A.; Islamov, A. Kh; Maharramov, A. M.; Nuriyev, M. A.; Ismayilova, R. S.; Doroshkevic, A. S.; Pawlukojc, A.; Turchenko, V. A.; Olejniczak, A.; Rulev, M. İ.; Almasan, V.; Kuklin, A. I.

    2018-03-01

    Structural properties of HDPE+ZrO2 polymer nanocomposites thin films of 80-100μm thicknesses were investigated using SANS, XRD, Laser Raman and FTIR spectroscopy. The mass fraction of the filler was 1, 3, 10, and 20%. Results of XRD analysis showed that ZrO2 powder was crystallized both in monoclinic and in cubic phase under normal conditions. The percentages of monoclinic and cubic phase were found to be 99.8% and 0.2%, respectively. It was found that ZrO2 nanoparticles did not affect the main crystal and chemical structure of HDPE, but the degree of crystallinity of the polymer decreases with increasing concentration of zirconium oxide. SANS experiments showed that at ambient conditions ZrO2 nanoparticles mainly distributed like mono-particles in the polymer matrix at all concentrations of filler.The structure of HDPE+ZrO2 does not changes up to 132°C at 1-3% of filler, excepting changing of the polymer structure at temperatures upper 82°C. At high concentrations of filler 10-20% the aggregation of ZrO2 nanoparticles occurs, forming domains of 2.5μm. The results of Raman and FTIR spectroscopy did not show additional specific chemical bonds between the filler and the polymer matrix. New peaks formation was not observed. These results suggest that core-shell structure does not exist in the polymer nanocomposite system.

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

    DOE PAGES

    Stefanini, A. M.; Montagnoli, G.; Esbensen, H.; ...

    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

  6. Effect of sputtering atmosphere on the characteristics of ZrOx resistive switching memory

    NASA Astrophysics Data System (ADS)

    He, Pin; Ye, Cong; Wu, Jiaji; Wei, Wei; Wei, Xiaodi; Wang, Hao; Zhang, Rulin; Zhang, Li; Xia, Qing; Wang, Hanbin

    2017-05-01

    A ZrOx switching layer with different oxygen content for TiN/ZrOx/Pt resistive switching (RS) memory was prepared by magnetron sputtering in different atmospheres such as N2/Ar mixture, O2/Ar mixture as well as pure Ar. The morphology, structure and RS characteristics were systemically investigated and it was found that the RS performance is highly dependent on the sputtering atmosphere. For the memory device sputtered in N2/Ar mixture, with 8.06% nitrogen content in the ZrOx switching layer, the highest uniformity with smallest distribution of V set and high resistance states (HRS)/low resistance states (LRS) values were achieved. By analyzing the current conduction mechanisms combined with possible RS mechanisms for three devices, we deduce that for the device with a ZrOx layer sputtered in N2/Ar mixture, oxygen ions (O2-), which are decisive to the disruption/formation of the conductive filament, will gather around the tip of the filament due to the existence of doping nitrogen, and lead to the reduction of O2- migration randomness in the operation process, so that the uniformity of the N-doped ZrOx device can be improved.

  7. Structure and Binding of Ionic Clusters in Th and Zr Chloride Melts

    NASA Astrophysics Data System (ADS)

    Akdeniz, Z.; Tosi, M. P.

    2001-11-01

    We discuss microscopic ionic models for the structure and the binding of small clusters which may exist as structural units in molten ThCl4 and ZrCl4 and in their mixtures with alkali halides according to Raman scattering studies of Photiadis and Papatheodorou. The models are adjusted to the two isolated tetrahedral molecules. Appreciably higher ionicity is found for ThCl4 than for ZrCl4, and this fact underlies the strikingly different behaviour of the two systems in the dense liquid state -in particular, a molecular-type structure for molten ZrCl4 against a structure including charged oligomers in molten ThCl4.

  8. Applications of the Strategic Defense Initiative's compact accelerators

    NASA Technical Reports Server (NTRS)

    Montanarelli, Nick; Lynch, Ted

    1991-01-01

    The Strategic Defense Initiative's (SDI) investment in particle accelerator technology for its directed energy weapons program has produced breakthroughs in the size and power of new accelerators. These accelerators, in turn, have produced spinoffs in several areas: the radio frequency quadrupole linear accelerator (RFQ linac) was recently incorporated into the design of a cancer therapy unit at the Loma Linda University Medical Center, an SDI-sponsored compact induction linear accelerator may replace Cobalt-60 radiation and hazardous ethylene-oxide as a method for sterilizing medical products, and other SDIO-funded accelerators may be used to produce the radioactive isotopes oxygen-15, nitrogen-13, carbon-11, and fluorine-18 for positron emission tomography (PET). Other applications of these accelerators include bomb detection, non-destructive inspection, decomposing toxic substances in contaminated ground water, and eliminating nuclear waste.

  9. Extremely large magnetoresistance and high-density Dirac-like fermions in ZrB2

    NASA Astrophysics Data System (ADS)

    Wang, Qi; Guo, Peng-Jie; Sun, Shanshan; Li, Chenghe; Liu, Kai; Lu, Zhong-Yi; Lei, Hechang

    2018-05-01

    We report the detailed study on transport properties of ZrB2 single crystal, a predicted topological nodal-line semimetal. ZrB2 exhibits extremely large magnetoresistance as well as field-induced resistivity upturn and plateau. These behaviors can be well understood by the two-band model with the perfect electron-hole compensation and high carrier mobilities. More importantly, the electrons with small effective masses and nontrivial Berry phase have significantly high density when compared to those in known topological semimetals. It strongly suggests that ZrB2 hosts Dirac-like nodal-line fermions.

  10. Processing of U-2.5Zr-7.5Nb and U-3Zr-9Nb alloys by sintering process

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Dos Santos, A. M. M.; Ferraz, W. B.; Lameiras, F. S.

    2012-07-01

    To minimize the risk of nuclear proliferation, there is worldwide interest in reducing fuel enrichment of research and test reactors. To achieve this objective while still guaranteeing criticality and cycle length requirements, there is need of developing high density uranium metallic fuels. Alloying elements such as Zr, Nb and Mo are added to uranium to improve fuel performance in reactors. In this context, the Centro de Desenvolvimento da Tecnologia Nuclear (CDTN) is developing the U-2.5Zr-7.5Nb and U-3Zr-9Nb (weight %) alloys by the innovative process of sintering that utilizes raw materials in the form of powders. The powders were pressed atmore » 400 MPa and then sintered under a vacuum of about 1x10{sup -4} Torr at temperatures ranging from 1050 deg. to 1500 deg.C. The densities of the alloys were measured geometrically and by hydrostatic method and the phases identified by X ray diffraction (XRD). The microstructures of the pellets were observed by scanning electron microscopy (SEM) and the alloying elements were analyzed by energy dispersive X-ray spectroscopy (EDS). The results obtained showed the fuel density to slightly increase with the sintering temperature. The highest density achieved was approximately 80% of theoretical density. It was observed in the pellets a superficial oxide layer formed during the sintering process. (authors)« less

  11. Atomic structure and glass forming ability of Cu46Zr46Al8 bulk metallic glass

    NASA Astrophysics Data System (ADS)

    Wang, X. D.; Jiang, Q. K.; Cao, Q. P.; Bednarcik, J.; Franz, H.; Jiang, J. Z.

    2008-11-01

    By using a combination of state-of-the-art experimental and computational methods, the high glass forming ability (GFA) of Cu46Zr46Al8 alloy is studied from the view of its atomic packing. Three-dimensional atomic configuration is well established. It is found that Al atoms almost homogeneously distribute around Cu and Zr atoms without segregation, causing the local environment around Cu and Zr atoms in Cu46Zr46Al8 bulk metallic glass different from that of the major competing phase of Cu10Zr7. Furthermore, the addition of Al not only increases the amount of icosahedronlike clusters but also makes them more homogeneous distribution, which can enhance the GFA by increasing the structural incompatibility with the competing crystalline phases.

  12. Accelerated Physical Stability Testing of Amorphous Dispersions.

    PubMed

    Mehta, Mehak; Suryanarayanan, Raj

    2016-08-01

    The goal was to develop an accelerated physical stability testing method of amorphous dispersions. Water sorption is known to cause plasticization and may accelerate drug crystallization. In an earlier investigation, it was observed that both the increase in mobility and decrease in stability in amorphous dispersions was explained by the "plasticization" effect of water (Mehta et al. Mol. Pharmaceutics 2016, 13 (4), 1339-1346). In this work, the influence of water concentration (up to 1.8% w/w) on the correlation between mobility and crystallization in felodipine dispersions was investigated. With an increase in water content, the α-relaxation time as well as the time for 1% w/w felodipine crystallization decreased. The relaxation times of the systems, obtained with different water concentration, overlapped when the temperature was scaled (Tg/T). The temperature dependencies of the α-relaxation time as well as the crystallization time were unaffected by the water concentration. Thus, the value of the coupling coefficient, up to a water concentration of 1.8% w/w, was approximately constant. Based on these findings, the use of "water sorption" is proposed to build predictive models for crystallization in slow crystallizing dispersions.

  13. Oxidation of ZrB2-SiC

    NASA Technical Reports Server (NTRS)

    Opila, Elizabeth J.; Halbig, Michael C.

    2001-01-01

    In this paper the oxidation behavior of ZrB2-20 vol% SiC is examined. Samples were exposed in stagnant air in a zirconia furnace (Deltech, Inc.) at temperatures of 1327, 1627, and 1927 C for ten ten-minute cycles. Samples were removed from the furnace after one, five, and ten cycles. Oxidized material was characterized by mass change when possible, x-ray diffraction (XRD), scanning electron microscopy (SEM), and energy dispersive spectroscopy (EDS). Oxidation kinetics, oxide scale development, and matrix recession were monitored as a function of time and temperature. Oxidation and recession rates of ZrB2 - 20 vol% SiC were adequately modeled by parabolic kinetics. Oxidation rates of this material are rapid, allowing only very short-term application in air or other high oxygen partial pressure environments.

  14. Microstructures and Properties of the C/Zr-O-Si-C Composites Fabricated by Polymer Infiltration and Pyrolysis

    NASA Astrophysics Data System (ADS)

    Ma, Yan; Chen, Zhaohui

    2013-09-01

    A way to improve the ablation properties of the C/SiC composites in an oxyacetylene torch environment was investigated by the precursor infiltration and pyrolysis route using three organic precursors (zirconium butoxide, polycarbosilane, and divinylbenzene). The ceramic matrix derived from the precursors at 1200 °C was mainly a mixture of SiC, ZrO2, and C. After annealing at 1600 °C for 1 h, ZrO2 partly transformed to ZrC because of the carbothermic reductions and completely transformed to ZrC at 1800 °C in 1 h. The mechanical properties of the composites decreased with increasing temperature, while the ablation resistance increased due to the increasing content of ZrC. Compared with C/SiC composites, the ablation resistance of the C/Zr-O-Si-C composites overwhelms because of the oxide films which formed on the ablation surfaces. And, the films were composed of two layers: the porous surface layer (the mixture of ZrO2 and SiO2) and the dense underlayer (SiO2).

  15. Detoxification of Chemical Warfare Agents Using a Zr6 -Based Metal-Organic Framework/Polymer Mixture.

    PubMed

    Moon, Su-Young; Proussaloglou, Emmanuel; Peterson, Gregory W; DeCoste, Jared B; Hall, Morgan G; Howarth, Ashlee J; Hupp, Joseph T; Farha, Omar K

    2016-10-10

    Owing to their high surface area, periodic distribution of metal sites, and water stability, zirconium-based metal-organic frameworks (Zr 6 -MOFs) have shown promising activity for the hydrolysis of nerve agents GD and VX, as well as the simulant, dimethyl 4-nitrophenylphosphate (DMNP), in buffered solutions. A hurdle to using MOFs for this application is the current need for a buffer solution. Here the destruction of the simulant DMNP, as well as the chemical warfare agents (GD and VX) through hydrolysis using a MOF catalyst mixed with a non-volatile, water-insoluble, heterogeneous buffer is reported. The hydrolysis of the simulant and nerve agents in the presence of the heterogeneous buffer was fast and effective. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  16. Enhancement of Oxidative Desulfurization Performance over UiO-66(Zr) by Titanium Ion Exchange.

    PubMed

    Ye, Gan; Qi, Hui; Li, Xiaolin; Leng, Kunyue; Sun, Yinyong; Xu, Wei

    2017-07-19

    Oxidative desulfurization is considered to be one of the most promising methods for producing ultra-low-sulfur fuels because it can effectively remove refractory sulfur-containing aromatic compounds under mild conditions. In this work, the oxidative desulfurization performance over UiO-66(Zr) is greatly enhanced by Ti ion exchange. This strategy is not only efficient for UiO-66(Zr) with crystal defects but also for UiO-66(Zr) with high crystallinity. In particular, the performance of UiO-66(Zr) with high crystallinity in the oxidative desulfurization of dibenzothiophene can be improved more than 11-fold, which can be mainly attributed to the introduction of active Ti sites. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  17. Microstructure and Thermal Stability of A357 Alloy With and Without the Addition of Zr

    NASA Astrophysics Data System (ADS)

    Tzeng, Yu-Chih; Chengn, Vun-Shing; Nieh, Jo-Kuang; Bor, Hui-Yun; Lee, Sheng-Long

    2017-11-01

    The principal purpose of this research was to evaluate the effects of Zr on the microstructure and thermal stability of an A357 alloy that has been subjected to an aging treatment (T6) and thermal exposure (250 °C). The results show that the addition of Zr had a significant influence on the refinement of the grain size, which enhanced the hardness and tensile strength of the A357 alloy under the T6 condition. During thermal exposure at 250 °C, the rodlike metastable β'-Mg2Si precipitates transformed into coarse equilibrium phase β-Mg2Si precipitates, resulting in a significant drop in the hardness and tensile strength of the T6 heat-treated A357 alloy. However, after thermal exposure, coherent, finely dispersed Al3Zr precipitates were found to be formed in the T6 heat-treated A357 alloy. The addition of 0.1% Zr played a critical role in improving the high-temperature strength. Consequently, the A357 alloy with the addition of Zr demonstrated better mechanical properties at room temperature and high temperature than the alloy without Zr, in terms of both microstructure and thermal stability.

  18. Raman Spectrum of Er-Y-codoped ZrO2 and Fluorescence Properties of Er3+

    NASA Astrophysics Data System (ADS)

    He, Jun; Luo, Meng-fei; Jin, Ling-yun; He, Mai; Fang, Ping; Xie, Yun-long

    2007-02-01

    Er-Y-codoped ZrO2 mixed oxides with monoclinic, tetragonal and cubic structures were prepared by a sol-gel method. The crystal structure of ZrO2 matrix and the effect of the ZrO2 phases on the fluorescence properties of Er3+ were studied using Raman spectroscopy. The results indicated that the fluorescence properties of Er3+ depend on its local ZrO2 crystal structures. As ZrO2 matrix transferred from monoclinic to tetragonal and cubic phase, the Raman and fluorescence bands of Er3+ decreased in intensities and tended to form a single peak. With 632.8 nm excitation, the bands between 640 and 680 nm were attributed to the fluorescence of Er3+ in the ZrO2 environment. However, only the fluorescence was observed and no Raman spectra were seen under 514.5 nm excitation, while only Raman spectra were observed under 325 nm excitation. UV Raman spectroscopy was found to be more sensitive in the surface region while the information provided by XRD mainly came from the bulk. The phase with lower symmetry forms more easily on the surface than in the bulk.

  19. Preparation of W/CuCrZr mono-block test mock-up using vacuum brazing technique

    NASA Astrophysics Data System (ADS)

    Premjit Singh, K.; Khirwadkar, S.; Bhope, Kedar; Patel, Nikunj; Mokaria, Prakash

    2017-04-01

    Development of the joining for W/CuCrZr mono-block PFC test mock-up is an interesting area in Fusion R&D. W/Cu bimetallic material has been prepared using OFHC Copper casting approach on the radial surface of W mono-block tile surface. The W/Cu bimetallic material has been joined with CuCrZr tube (heat sink) material with the vacuum brazing route. Vacuum brazing of W/Cu-CuCrZr has been performed @ 970°C for 10 min using NiCuMn-37 filler material under deep vacuum environment (10-6 mbar). Graphite fixture was used for OFHC Copper casting and vacuum brazing experiments. The joint integrity of W/Cu-CuCrZr mono-block mock-up of W/Cu and Cu-CuCrZr interface has been checked using ultrasonic immersion technique. The result of the experimental work is presented in the paper.

  20. Combinatorial Investigation of ZrO2-Based Dielectric Materials for Dynamic Random-Access Memory Capacitors

    NASA Astrophysics Data System (ADS)

    Kiyota, Yuji; Itaka, Kenji; Iwashita, Yuta; Adachi, Tetsuya; Chikyow, Toyohiro; Ogura, Atsushi

    2011-06-01

    We investigated zirconia (ZrO2)-based material libraries in search of new dielectric materials for dynamic random-access memory (DRAM) by combinatorial-pulsed laser deposition (combi-PLD). We found that the substitution of yttrium (Y) to Zr sites in the ZrO2 system suppressed the leakage current effectively. The metal-insulator-metal (MIM) capacitor property of this system showed a leakage current density of less than 5×10-7 A/cm2 and the dielectric constant was 20. Moreover, the addition of titanium (Ti) or tantalum (Ta) to this system caused the dielectric constant to increase to ˜25 within the allowed leakage level of 5×10-7 A/cm2. Therefore, Zr-Y-Ti-O and Zr-Y-Ta-O systems have good potentials for use as new materials with high dielectric constants of DRAM capacitors instead of silicon dioxides (SiO2).

  1. The effect of heat treatment on the performance of the Ni/(Zr-Sm oxide) catalysts for carbon dioxide methanation

    NASA Astrophysics Data System (ADS)

    Takano, Hiroyuki; Izumiya, Koichi; Kumagai, Naokazu; Hashimoto, Koji

    2011-07-01

    The active catalysts for methane formation from the gas mixture of CO 2 + 4H 2 with almost 100% methane selectivity were prepared by reduction of the oxide mixture of NiO and ZrO 2 prepared by calcination of aqueous ZrO 2 sol with Sm(NO 3) 3 and Ni(NO 3) 2. The 50 at%Ni-50 at%(Zr-Sm oxide) catalyst consisting of 50 at%Ni-50 at%(Zr + Sm) with Zr/Sm = 5 calcined at 650 or 800 °C showed the highest activity for methanation. The active catalysts were Ni supported on tetragonal ZrO 2, and the activity for methanation increased by an increase in inclusion of Sm 3+ ions substituting Zr 4+ ions in the tetragonal ZrO 2 lattice as a result of an increase in calcination temperature. However, the increase in calcination temperature decreased BET surface area, metal dispersion and hydrogen uptake due to grain growth. Thus, the optimum calcination temperature existed.

  2. Synthesis of submicron CaZrO{sub 3} in combustion reactions

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Khaliullin, Sh. M., E-mail: khaliullin@ihim.uran.ru; Zhuravlev, V. D.; Bamburov, V. G.

    Submicron CaZrO{sub 3} powder is obtained in combustion reactions (solution combustion synthesis—SCS) with glycine. It is found that SCS reduces the sintering temperature of CaZrO{sub 3} powders. The dielectric properties of calcium zirconate ceramics are studied by the electrochemical impedance method. It is shown that a ceramics of powders obtained by the SCS method has high dielectric characteristics.

  3. Microstructural analysis of as-processed U-10 wt.%Mo monolithic fuel plate in AA6061 matrix with Zr diffusion barrier

    NASA Astrophysics Data System (ADS)

    Perez, E.; Yao, B.; Keiser, D. D., Jr.; Sohn, Y. H.

    2010-07-01

    For higher U-loading in low-enriched U-10 wt.%Mo fuels, monolithic fuel plate clad in AA6061 is being developed as a part of Reduced Enrichment for Research and Test Reactor (RERTR) program. This paper reports the first characterization results from a monolithic U-10 wt.%Mo fuel plate with a Zr diffusion barrier that was fabricated as part of a plate fabrication campaign for irradiation testing in the Advanced Test Reactor (ATR). Both scanning and transmission electron microscopy (SEM and TEM) were employed for analysis. At the interface between the Zr barrier and U-10 wt.%Mo, going from Zr to U(Mo), UZr 2, γ-UZr, Zr solid-solution and Mo 2Zr phases were observed. The interface between AA6061 cladding and Zr barrier plate consisted of four layers, going from Al to Zr, (Al, Si) 2Zr, (Al, Si)Zr 3 (Al, Si) 3Zr, and AlSi 4Zr 5. Irradiation behavior of these intermetallic phases is discussed based on their constituents. Characterization of as-fabricated phase constituents and microstructure would help understand the irradiation behavior of these fuel plates, interpret post-irradiation examination, and optimize the processing parameters of monolithic fuel system.

  4. Improving fatigue resistance of Pb(Zr,Ti)O3 thin films by using PbZrO3 buffer layers

    NASA Astrophysics Data System (ADS)

    Mensur Alkoy, Ebru; Uchiyama, Kiyoshi; Shiosaki, Tadashi; Alkoy, Sedat

    2006-05-01

    Ferroelectric Pb(Zr0.52Ti0.48)O3 (PZT) thin films with PbZrO3 (PZ) buffer layers were prepared on Pt(111)/Ti/SiO2/Si(100) substrates using a hybrid rf magnetron sputtering and sol-gel process. Texture of PZT films was found to depend on Pb content of PZ buffer layers. Buffered PZT films displayed comparable ferroelectric properties (2Pr=38-53 μC/cm2,2Ec=136-170 kV/cm) with unbuffered PZT. Asymmetric leakage current and fatigue behavior with superior fatigue resistance was observed in PZ buffered PZT compared to unbuffered films. PZ buffer layers were found to affect crystallization and texture of PZT, and act as a capacitive interface layer possibly blocking charge injection from electrodes.

  5. Effects of Zr on microstructure and mechanical properties of Al-Cu base ribbons spun by planar flow casting

    NASA Astrophysics Data System (ADS)

    Lee, S. M.; Hong, C. P.

    1998-04-01

    The effects of the Zr addition on the solidification behavior and mechanical properties of the AI-Cu alloy ribbon have been investigated. Zr addition reduced the average grain size of the ribbon at the wheel-side surface, and promoted the microstructural transition into cellular/dendritic structure. Another noteworthy effect of Zr was the homogenization of the microstructure. The addition of Zr up to 0.5 wt.% in the /U-4.3 wt.% Cu ribbon resulted in a considerable increase in hardness at both the wheel-side and the air-side surfaces. The yield strength increased with the addition of Zr due to the grain refincment and more homogeneous distribution of ZrAI, particles. despite no noticeable improvement of the ductility.

  6. Accelerator mass spectrometry of iodine-129 and its applications in natural water systems

    NASA Astrophysics Data System (ADS)

    Buraglio, Nadia

    During recent decades, huge amount of radioactive waste has been dumped into the earth's surface environments. 129I (T1/2 = 15.6 My) is one of the radioactive products that has been produced through a variety of processes, including atomic weapon testing, reprocessing of nuclear fact and nuclear accidents. This thesis describes development of the Accelerator Mass Spectrometry (AMS) ultra-sensitive atom counting technique at Uppsala Tandem Laboratory to measure 129I and discusses investigations of its distribution in the hydrosphere (marine and fresh water) and precipitation. The AMS technique provides a method for measuring long-lived radioactive isotopes in small samples, relative to other conventional techniques, and thus opens a now line of research. The optimization of the AMS system at Uppsala included testing a time of flight detector, evaluation of the most appropriate charge-state, reduction of molecular interference and improvement of the detection limit. Furthermore, development of a chemical procedure for separation of iodine from natural water samples has been accomplished. The second part of the thesis reports investigations of 129I in natural waters and indicates that high concentrations of 129I (3-4 orders of magnitude higher than in the prenuclear era) are found in most of the considered natural waters. Inventory calculations and results of measurements suggest that the major sources of radioactive iodine are the two main European nuclear reprocessing facilities at Sellafield (U.K.) and La Hague (France). This information provides estimates of the transit time and vertical mixing of water masses in the central Arctic Ocean. Results from precipitation, lakes and runoff are used to elucidate mechanisms of transport of 129I from the point sources and its pathways in the hydrological environment. This study also shows the need for continuous monitoring of the 129I level in the hydrosphere and of its future variability.

  7. Accelerated Monte Carlo simulation on the chemical stage in water radiolysis using GPU

    NASA Astrophysics Data System (ADS)

    Tian, Zhen; Jiang, Steve B.; Jia, Xun

    2017-04-01

    The accurate simulation of water radiolysis is an important step to understand the mechanisms of radiobiology and quantitatively test some hypotheses regarding radiobiological effects. However, the simulation of water radiolysis is highly time consuming, taking hours or even days to be completed by a conventional CPU processor. This time limitation hinders cell-level simulations for a number of research studies. We recently initiated efforts to develop gMicroMC, a GPU-based fast microscopic MC simulation package for water radiolysis. The first step of this project focused on accelerating the simulation of the chemical stage, the most time consuming stage in the entire water radiolysis process. A GPU-friendly parallelization strategy was designed to address the highly correlated many-body simulation problem caused by the mutual competitive chemical reactions between the radiolytic molecules. Two cases were tested, using a 750 keV electron and a 5 MeV proton incident in pure water, respectively. The time-dependent yields of all the radiolytic species during the chemical stage were used to evaluate the accuracy of the simulation. The relative differences between our simulation and the Geant4-DNA simulation were on average 5.3% and 4.4% for the two cases. Our package, executed on an Nvidia Titan black GPU card, successfully completed the chemical stage simulation of the two cases within 599.2 s and 489.0 s. As compared with Geant4-DNA that was executed on an Intel i7-5500U CPU processor and needed 28.6 h and 26.8 h for the two cases using a single CPU core, our package achieved a speed-up factor of 171.1-197.2.

  8. Accelerated Monte Carlo simulation on the chemical stage in water radiolysis using GPU.

    PubMed

    Tian, Zhen; Jiang, Steve B; Jia, Xun

    2017-04-21

    The accurate simulation of water radiolysis is an important step to understand the mechanisms of radiobiology and quantitatively test some hypotheses regarding radiobiological effects. However, the simulation of water radiolysis is highly time consuming, taking hours or even days to be completed by a conventional CPU processor. This time limitation hinders cell-level simulations for a number of research studies. We recently initiated efforts to develop gMicroMC, a GPU-based fast microscopic MC simulation package for water radiolysis. The first step of this project focused on accelerating the simulation of the chemical stage, the most time consuming stage in the entire water radiolysis process. A GPU-friendly parallelization strategy was designed to address the highly correlated many-body simulation problem caused by the mutual competitive chemical reactions between the radiolytic molecules. Two cases were tested, using a 750 keV electron and a 5 MeV proton incident in pure water, respectively. The time-dependent yields of all the radiolytic species during the chemical stage were used to evaluate the accuracy of the simulation. The relative differences between our simulation and the Geant4-DNA simulation were on average 5.3% and 4.4% for the two cases. Our package, executed on an Nvidia Titan black GPU card, successfully completed the chemical stage simulation of the two cases within 599.2 s and 489.0 s. As compared with Geant4-DNA that was executed on an Intel i7-5500U CPU processor and needed 28.6 h and 26.8 h for the two cases using a single CPU core, our package achieved a speed-up factor of 171.1-197.2.

  9. Microstructures, magnetic properties and coercivity mechanisms of Nd-Ce-Fe-B based alloys by Zr substitution

    NASA Astrophysics Data System (ADS)

    Wang, Lei; Quan, Qichen; Zhang, Lili; Hu, Xianjun; Ur Rehman, Sajjad; Jiang, Qingzheng; Du, Junfeng; Zhong, Zhenchen

    2018-03-01

    In this paper, the effects of Zr addition on microstructures, magnetic properties, exchange coupling, and coercivity mechanisms of Nd-Ce-Fe-B alloys fabricated by melt-spinning technique are investigated. It is found that the coercivity Hcj is enhanced significantly by Zr substitution in the (Nd0.8Ce0.2)13Fe82-xZrxB5 alloys, while the remanence Jr is reduced slightly. The Hcj increases from 12.2 to 13.7 kOe by adding Zr up to 1.5 at. %, whereas Hcj is decreased with a further increase in Zr content. The larger lattice constants and unit cell volumes of the matrix phase indicate that Zr atoms enter into the hard magnetic phase by substituting Fe sites. The reduction of Tc implies the attenuation of the exchange interaction in the 2:14:1 phase with Zr occupying the Fe sites. The weakened intergranular exchange coupling of the Zr added alloy may be attributed to the formation of a non-magnetic intergranular phase. It is worth noting that the coercivity is dominated by the pinning of domain walls at defect positions even though the nucleation of reversal domains still exists. The synergistic function between the pinning effect and the exchange coupling leads to improved magnetic properties.

  10. Preparation of magnetron sputtered ZrO2 films on Si for gate dielectric application

    NASA Astrophysics Data System (ADS)

    Kondaiah, P.; Mohan Rao, G.; Uthanna, S.

    2012-11-01

    Zirconium oxide (ZrO2) thin films were deposited on to p - Si and quartz substrates by sputtering of zirconium target at an oxygen partial pressure of 4x10-2 Pa and sputter pressure of 0.4 Pa by using DC reactive magnetron sputtering technique. The effect of annealing temperature on structural, optical, electrical and dielectric properties of the ZrO2 films was systematically studied. The as-deposited films were mixed phases of monoclinic and orthorhombic ZrO2. As the annealing temperature increased to 1073 K, the films were transformed in to single phase orthorhombic ZrO2. Fourier transform infrared studies conform the presence of interfacial layer between Si and ZrO2. The optical band gap and refractive index of the as-deposited films were 5.82 eV and 1.81. As the annealing temperature increased to 1073 K the optical band gap and refractive index increased to 5.92 eV and 2.10 respectively. The structural changes were influenced the capacitance-voltage and current-voltage characteristics of Al/ZrO2/p-Si capacitors. The dielectric constant was increased from 11.6 to 24.5 and the leakage current was decreased from 1.65×10-7 to 3.30×10-9 A/ cm2 for the as-deposited and annealed at 1073 K respectively.

  11. Mechanical Characterisation and Biomechanical and Biological Behaviours of Ti-Zr Binary-Alloy Dental Implants

    PubMed Central

    Jiménez-Garrudo, Antonio; Gil-Mur, Francisco Javier; Manero, José María; Punset-Fuste, Miquel; Chávarri-Prado, David; Diéguez-Pereira, Markel; Monticelli, Francesca

    2017-01-01

    The objective of the study is to characterise the mechanical properties of Ti-15Zr binary alloy dental implants and to describe their biomechanical behaviour as well as their osseointegration capacity compared with the conventional Ti-6Al-4V (TAV) alloy implants. The mechanical properties of Ti-15Zr binary alloy were characterised using Roxolid© implants (Straumann, Basel, Switzerland) via ultrasound. Their biomechanical behaviour was described via finite element analysis. Their osseointegration capacity was compared via an in vivo study performed on 12 adult rabbits. Young's modulus of the Roxolid© implant was around 103 GPa, and the Poisson coefficient was around 0.33. There were no significant differences in terms of Von Mises stress values at the implant and bone level between both alloys. Regarding deformation, the highest value was observed for Ti-15Zr implant, and the lowest value was observed for the cortical bone surrounding TAV implant, with no deformation differences at the bone level between both alloys. Histological analysis of the implants inserted in rabbits demonstrated higher BIC percentage for Ti-15Zr implants at 3 and 6 weeks. Ti-15Zr alloy showed elastic properties and biomechanical behaviours similar to TAV alloy, although Ti-15Zr implant had a greater BIC percentage after 3 and 6 weeks of osseointegration. PMID:29318142

  12. Effect of TiO2, ZrO2, and TiO2-ZrO2 on the performance of CuO-ZnO catalyst for CO2 hydrogenation to methanol

    NASA Astrophysics Data System (ADS)

    Xiao, Jie; Mao, Dongsen; Guo, Xiaoming; Yu, Jun

    2015-05-01

    The influence of TiO2, ZrO2, and TiO2-ZrO2 mixed oxide on the catalytic performance of CuO-ZnO catalyst in the methanol synthesis from CO2 hydrogenation was studied. The catalysts were prepared by oxalate co-precipitation method and characterized by TGA, N2 adsorption, XRD, reactive N2O adsorption, XPS, H2-TPR, H2-TPD, and CO2-TPD techniques. Characterization results reveal that all the additives improve the CuO dispersion in the catalyst body and increase the Cu surface area and adsorption capacities of CO2 and H2. The results of catalytic test reveal that the additives increase both the CO2 conversion and methanol selectivity, and TiO2-ZrO2 mixed oxide is more effective than single components of TiO2 or ZrO2. Moreover, the activity of methanol synthesis is correlated directly with CO2 adsorption capacity over the catalysts.

  13. High-voltage SPM oxidation of ZrN: materials for multiscale applications

    NASA Astrophysics Data System (ADS)

    Farkas, N.; Comer, J. R.; Zhang, G.; Evans, E. A.; Ramsier, R. D.; Dagata, J. A.

    2005-02-01

    Scanning probe microscope (SPM) oxidation was used to form zirconium oxide features on 200 nm thick ZrN films. The features exhibit rapid yet controlled growth kinetics, even in contact mode with 70 V dc applied between the probe tip and substrate. The features grown for times longer than 10 s are higher than 200 nm, and reach more than 1000 nm in height after 300 s. Long-time oxidation experiments and selective etching of the oxides and nitrides lead us to propose that as the oxidation reaches the silicon substrate, delamination occurs with the simultaneous formation of a thin layer of new material at the ZrN/Si interface. High-voltage oxide growth on ZrN is fast and sustainable, and the robust oxide features are promising candidates for multiscale (nanometre-to-micrometre) applications.

  14. Effect of KOH added to ethylene glycol electrolyte on the self-organization of anodic ZrO{sub 2} nanotubes

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Rozana, Monna; Soaid, Nurul Izza; Lockman, Zainovia, E-mail: zainovia@usm.my

    ZrO{sub 2} nanotube arrays were formed by anodizing zirconium sheet in ethylene glycol (EG) and EG added to it KOH (EG/KOH) electrolytes. The effect of KOH addition into EG electrolyte to the morphology of nanotubes and their crystallinity was investigated. It was observed that the tubes with diameter of ∼80 nm were formed in EG electrolyte with <0.1 vol % water, but the wall smoothness is rather poor. When KOH was added into EG, the wall smoothness of the nanotubes improve, but the diameter of tubes is smaller (∼40 nm). Despite smoother wall and small tube diameter, the degradation ofmore » methyl orange (MO) on the tubes made in EG/KOH is less compared to the tubes made in EG only. This could be due to the less tetragonal ZrO{sub 2} presence in the tubes made in EG/KOH.« less

  15. Ferroelectric performances and crystal structures of (Pb, La)(Zr, Ti, Nb)O{sub 3}

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Kitamura, Naoto; Division of Ecosystem Research, Research Institute for Science and Technology, Tokyo University of Science, 2641 Yamazaki, Noda, Chiba 278-8510; Mizoguchi, Takuma

    2014-02-15

    In this study, we focused on Nb and La substituted Pb(Zr, Ti)O{sub 3}: i.e., (Pb, La)(Zr, Ti, Nb)O{sub 3}. As for the samples, dependences of ferroelectric properties on La and Nb compositions were examined. In addition, the crystal structures were analyzed by the Rietveld method, and then a relationship between the metal compositions and the crystal structures were discussed. From P–E hysteresis loop measurements, it was found that the remanant polarization of Pb(Zr, Ti)O{sub 3} was increased by both the La and Nb substitutions although the heavy substitution of La had an undesirable effect. It was also indicated that themore » Curie temperature decreased with increasing La content. The Rietveld analysis using synchrotron X-ray diffraction patterns demonstrated that the structure distortion was relaxed by the La and Nb substitutions. Such a change in the crystals was well consistent with the harmful effects on the Curie temperature and the remanent polarization by the heavy La substitution. - Graphical abstract: Rietveld refinement pattern of 2 mol% PbSiO{sub 3}-added Pb{sub 0.95}La{sub 0.05}Zr{sub 0.50}Ti{sub 0.45}Nb{sub 0.05}O{sub 3} (synchrotron X-ray diffraction). Display Omitted - Highlights: • (Pb,La)(Zr,Ti,Nb)O{sub 3} were successfully synthesized. • Remanant polarization of Pb(Zr,Ti)O{sub 3} was improved by substitutions of La and Nb. • Crystal structures of (Pb,La)(Zr,Ti,Nb)O{sub 3} were refined and the distortions were estimated.« less

  16. Glassy nature and glass-to-crystal transition in the binary metallic glass CuZr

    NASA Astrophysics Data System (ADS)

    Wei, Zi-Yang; Shang, Cheng; Zhang, Xiao-Jie; Liu, Zhi-Pan

    2017-06-01

    The prediction for the stability of glassy material is a key challenge in physical science. Here, we report a theoretical framework to predict the glass stability based on stochastic surface walking global optimization and reaction pathway sampling. This is demonstrated by revealing for the first time the global potential energy surface (PES) of two systems, CuZr binary metallic glass and nonglassy pure Cu systems, and establishing the lowest energy pathways linking glassy/amorphous structures with crystalline structures. The CuZr system has a significant number of glassy structures on PES that are ˜0.045 eV /atom above the crystal structure. Two clear trends are identified from global PES in the glass-to-crystal transition of the CuZr system: (i) the local Zr-Cu coordination (nearest neighbor) increases, and (ii) the local Zr bonding environment becomes homogeneous. This allows us to introduce quantitative structural and energetics conditions to distinguish the glassy structures from the crystalline structures. Because of the local Zr-Cu exchange in the glass-to-crystal transition, a high reaction barrier (>0.048 eV /atom ) is present to separate the glassy structures and the crystals in CuZr. By contrast, the Cu system, although it does possess amorphous structures that appear at much higher energy (˜0.075 eV /atom ) with respect to the crystal structure, has very low reaction barriers for the crystallization of amorphous structures, i.e. <0.011 eV /atom . The quantitative data on PES now available from global optimization techniques deepens our understanding on the microscopic nature of glassy material and might eventually facilitate the design of stable glassy materials.

  17. Electrical conductivity of low-temperature NaCl-KCl-ZrCl4 melts

    NASA Astrophysics Data System (ADS)

    Salyulev, A. B.; Khokhlov, V. A.; Red'kin, A. A.

    2014-08-01

    The dependences of the electrical conductivity of NaCl-KCl-ZrCl4 molten mixtures with a molar ratio NaCl : KCl = 8 : 29 on the temperature (temperature range of 300-540°C) and the ZrCl4 concentration (54.3-75.2 mol %) have been measured for the first time using unique cells.

  18. Structural identification of Zn xZr yO z catalysts for Cascade aldolization and self-deoxygenation reactions

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Baylon, Rebecca A. L.; Sun, Junming; Kovarik, Libor

    Complementary characterizations, such as nitrogen sorption, X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), visible Raman, scanning transmission electron microscopy (STEM) coupled with elemental mapping, NH3/CO2 temperature programmed desorption (NH3/CO2-TPD), infrared spectroscopic analysis of adsorbed pyridine (Py-IR), and CO2-IR, have been employed to identify the structure and surface chemistry (i.e., acid-base) of mixed Zn xZr yO z oxide catalysts of varied ratios of Zn/Zr. Atomically dispersed Zn2+ species are present in the framework within a thin surface shell (1.5-2.0 nm) of ZrO2 particles when the Zn/Zr ratio is smaller than 1/10; when the ratio is above this, both atomically dispersed Zn2+more » and ZnO clusters coexist in mixed Zn xZr yO z oxide catalysts. The presence of ZnO clusters shows no significant side effect but only a slight increase of selectivity to CO2, caused by steam reforming. The incorporation of atomic Zn2+ into the ZrO2 framework was found to not only passivate strong Lewis acid sites (i.e., Zr-O-Zr) on ZrO2, but to also generate new Lewis acid-base site pairs with enhanced Lewis basicity on the bridged O (i.e., ). In the mixed ketone (i.e., acetone and methyl ethyl ketone (MEK)) reactions, while the passivation of strong acid sites can be correlated to the inhibition of side reactions, such as ketone decomposition and coking, the new Lewis acid-base pairs introduced enhance the cascade aldolization and self-deoxygenation reactions involved in olefin (C3=-C6=) production. More importantly, the surface acid-base properties change with varying Zn/Zr ratios, which in turn affect the cross- and self-condensation reactivity and subsequent distribution of olefins.« less

  19. Afterglow based detection and dosimetry of beta particle irradiated ZrO2.

    PubMed

    Salas-Juárez, Ch J; Cruz-Vázquez, C; Avilés-Monreal, R; Bernal, R

    2018-08-01

    In this work, we report on the afterglow (AG) response characterization of commercially available ZrO 2 . Pellet shaped samples previously annealed in air at 1000°C during 24h were exposed to beta particle irradiation in the dose range from 0.5 up to 128Gy and their AG decay curves recorded during 600s after irradiation exposure. The characteristic glow curves of beta particle irradiated ZrO 2 show two maxima located around 80°C and 150°C. The first one rapidly vanishes at room temperature, giving rise to AG. The integrated AG signal increases as dose increases from 0.5 to 128Gy, with a linear dependence from 0.5 up to ca. 32Gy. Excellent reproducibility of the AG response was observed in 10 irradiation - AG readout cycles, showing that the studied ZrO 2 samples are reusable. The results here presented show that ZrO 2 is a promising material for use as a radiation dosimeter based on the AG phenomenon. Copyright © 2017 Elsevier Ltd. All rights reserved.

  20. Accelerated evaporation of water on graphene oxide.

    PubMed

    Wan, Rongzheng; Shi, Guosheng

    2017-03-29

    Using molecular dynamics simulations, we show that the evaporation of nanoscale volumes of water on patterned graphene oxide is faster than that on homogeneous graphene oxide. The evaporation rate of water is insensitive to variation in the oxidation degree of the oxidized regions, so long as the water film is only distributed on the oxidized regions. The evaporation rate drops when the water film spreads onto the unoxidized regions. Further analysis showed that varying the oxidation degree observably changed the interaction between the outmost water molecules and the solid surface, but the total interaction for the outmost water molecules only changed a very limited amount due to the correspondingly regulated water-water interaction when the water film is only distributed on the oxidized regions. When the oxidation degree is too low and some unoxidized regions are also covered by the water film, the thickness of the water film decreases, which extends the lifetime of the hydrogen bonds for the outmost water molecules and lowers the evaporation rate of the water. The insensitivity of water evaporation to the oxidation degree indicates that we only need to control the scale of the unoxidized and oxidized regions for graphene oxide to regulate the evaporation of nanoscale volumes of water.